try: from SimpleSession.versions.v40 import beginRestore,\ registerAfterModelsCB, reportRestoreError, checkVersion except ImportError: from chimera import UserError raise UserError('Cannot open session that was saved in a' ' newer version of Chimera; update your version') checkVersion([1, 4, 27229]) import chimera from chimera import replyobj replyobj.status('Beginning session restore...', \ blankAfter=0) beginRestore() def restoreCoreModels(): from SimpleSession.versions.v40 import init, restoreViewer, \ restoreMolecules, restoreColors, restoreSurfaces, \ restoreVRML, restorePseudoBondGroups, restoreModelAssociations molInfo = {'ballScale': (2, 0.25, {}), 'ribbonHidesMainchain': (2, True, {}), 'pointSize': (2, 1, {}), 'name': (2, '3eqs', {'3eqy': [1]}), 'color': (2, 0, {1: [1]}), 'optional': {'openedAs': (True, (2, ('3eqs', None, 'PDB', 1), {('3eqy', None, 'PDB', 1): [1]}))}, 'pdbHeaders': [{'KEYWDS': ['KEYWDS MDM2, MDM2-PEPTIDE INHIBITOR COMPLEX,ONCOPROTEIN, ', 'KEYWDS 2 ALTERNATIVE SPLICING, CYTOPLASM, HOST-VIRUS INTERACTION, ', 'KEYWDS 3 LIGASE, METAL-BINDING, NUCLEUS, PHOSPHOPROTEIN, PROTO- ', 'KEYWDS 4 ONCOGENE, UBL CONJUGATION, UBL CONJUGATION PATHWAY, ZINC, ', 'KEYWDS 5 ZINC-FINGER '], 'SEQRES': ['SEQRES 1 A 85 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU ', 'SEQRES 2 A 85 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET ', 'SEQRES 3 A 85 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR ', 'SEQRES 4 A 85 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR ', 'SEQRES 5 A 85 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO ', 'SEQRES 6 A 85 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ', 'SEQRES 7 A 85 ILE TYR ARG ASN LEU VAL VAL ', 'SEQRES 1 B 12 THR SER PHE ALA GLU TYR TRP ASN LEU LEU SER PRO '], 'DBREF': ['DBREF 3EQS A 25 109 UNP Q00987 MDM2_HUMAN 25 109 ', 'DBREF 3EQS B 1 12 PDB 3EQS 3EQS 1 12 '], 'TITLE': ['TITLE CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH A 12-MER ', 'TITLE 2 PEPTIDE INHIBITOR '], 'HELIX': ['HELIX 1 1 LYS A 31 VAL A 41 1 11 ', 'HELIX 2 2 MET A 50 ARG A 65 1 16 ', 'HELIX 3 3 ASP A 80 GLY A 87 1 8 ', 'HELIX 4 4 GLU A 95 ASN A 106 1 12 ', 'HELIX 5 5 SER B 2 LEU B 9 1 8 '], 'REMARK': ['REMARK 1 ', 'REMARK 2 ', 'REMARK 2 RESOLUTION. 1.65 ANGSTROMS. ', 'REMARK 3 ', 'REMARK 3 REFINEMENT. ', 'REMARK 3 PROGRAM : REFMAC 5.4.0077 ', 'REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON ', 'REMARK 3 ', 'REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD ', 'REMARK 3 ', 'REMARK 3 DATA USED IN REFINEMENT. ', 'REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 ', 'REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 ', 'REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL ', 'REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 ', 'REMARK 3 NUMBER OF REFLECTIONS : 11009 ', 'REMARK 3 ', 'REMARK 3 FIT TO DATA USED IN REFINEMENT. ', 'REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT ', 'REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM ', 'REMARK 3 R VALUE (WORKING + TEST SET) : 0.156 ', 'REMARK 3 R VALUE (WORKING SET) : 0.154 ', 'REMARK 3 FREE R VALUE : 0.193 ', 'REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 ', 'REMARK 3 FREE R VALUE TEST SET COUNT : 553 ', 'REMARK 3 ', 'REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. ', 'REMARK 3 TOTAL NUMBER OF BINS USED : 20 ', 'REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.65 ', 'REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.69 ', 'REMARK 3 REFLECTION IN BIN (WORKING SET) : 775 ', 'REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.54 ', 'REMARK 3 BIN R VALUE (WORKING SET) : 0.1820 ', 'REMARK 3 BIN FREE R VALUE SET COUNT : 35 ', 'REMARK 3 BIN FREE R VALUE : 0.2590 ', 'REMARK 3 ', 'REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. ', 'REMARK 3 PROTEIN ATOMS : 880 ', 'REMARK 3 NUCLEIC ACID ATOMS : 0 ', 'REMARK 3 HETEROGEN ATOMS : 4 ', 'REMARK 3 SOLVENT ATOMS : 117 ', 'REMARK 3 ', 'REMARK 3 B VALUES. ', 'REMARK 3 FROM WILSON PLOT (A**2) : NULL ', 'REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.70 ', 'REMARK 3 OVERALL ANISOTROPIC B VALUE. ', 'REMARK 3 B11 (A**2) : -0.36000 ', 'REMARK 3 B22 (A**2) : 0.02000 ', 'REMARK 3 B33 (A**2) : 0.31000 ', 'REMARK 3 B12 (A**2) : 0.00000 ', 'REMARK 3 B13 (A**2) : -0.04000 ', 'REMARK 3 B23 (A**2) : 0.00000 ', 'REMARK 3 ', 'REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. ', 'REMARK 3 ESU BASED ON R VALUE (A): 0.098 ', 'REMARK 3 ESU BASED ON FREE R VALUE (A): 0.098 ', 'REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.055 ', 'REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.515 ', 'REMARK 3 ', 'REMARK 3 CORRELATION COEFFICIENTS. ', 'REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.972 ', 'REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.959 ', 'REMARK 3 ', 'REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT ', 'REMARK 3 BOND LENGTHS REFINED ATOMS (A): 916 ; 0.015 ; 0.022 ', 'REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1256 ; 1.524 ; 2.007 ', 'REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 120 ; 5.689 ; 5.000 ', 'REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 39 ;34.673 ;23.333 ', 'REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 190 ;14.338 ;15.000 ', 'REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 5 ; 9.415 ;15.000 ', 'REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 144 ; 0.098 ; 0.200 ', 'REMARK 3 GENERAL PLANES REFINED ATOMS (A): 675 ; 0.008 ; 0.021 ', 'REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT ', 'REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 524 ; 0.879 ; 1.500 ', 'REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 864 ; 1.517 ; 2.000 ', 'REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 392 ; 2.331 ; 3.000 ', 'REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 378 ; 3.657 ; 4.500 ', 'REMARK 3 ', 'REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT ', 'REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 NCS RESTRAINTS STATISTICS ', 'REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 2 ', 'REMARK 3 ', 'REMARK 3 NCS GROUP NUMBER : 1 ', 'REMARK 3 CHAIN NAMES : A ', 'REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 1 ', 'REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE ', 'REMARK 3 1 A 26 A 108 6 ', 'REMARK 3 1 A 26 A 108 6 ', 'REMARK 3 GROUP CHAIN COUNT RMS WEIGHT ', 'REMARK 3 LOOSE POSITIONAL 1 A (A): 778 ; 0.00 ; 5.00 ', 'REMARK 3 LOOSE THERMAL 1 A (A**2): 778 ; 0.00 ; 10.00 ', 'REMARK 3 ', 'REMARK 3 NCS GROUP NUMBER : 2 ', 'REMARK 3 CHAIN NAMES : B ', 'REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 1 ', 'REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE ', 'REMARK 3 1 B 1 B 11 6 ', 'REMARK 3 1 B 1 B 11 6 ', 'REMARK 3 GROUP CHAIN COUNT RMS WEIGHT ', 'REMARK 3 LOOSE POSITIONAL 2 B (A): 94 ; 0.00 ; 5.00 ', 'REMARK 3 LOOSE THERMAL 2 B (A**2): 94 ; 0.00 ; 10.00 ', 'REMARK 3 ', 'REMARK 3 TLS DETAILS ', 'REMARK 3 NUMBER OF TLS GROUPS : 2 ', 'REMARK 3 ', 'REMARK 3 TLS GROUP : 1 ', 'REMARK 3 NUMBER OF COMPONENTS GROUP : 1 ', 'REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI ', 'REMARK 3 RESIDUE RANGE : A NULL A ', 'REMARK 3 ORIGIN FOR THE GROUP (A): -10.3252 0.0637 -5.0347 ', 'REMARK 3 T TENSOR ', 'REMARK 3 T11: 0.0283 T22: 0.0279 ', 'REMARK 3 T33: 0.0207 T12: -0.0095 ', 'REMARK 3 T13: -0.0023 T23: 0.0070 ', 'REMARK 3 L TENSOR ', 'REMARK 3 L11: 0.8687 L22: 0.9104 ', 'REMARK 3 L33: 1.2355 L12: -0.1521 ', 'REMARK 3 L13: -0.0819 L23: 0.5114 ', 'REMARK 3 S TENSOR ', 'REMARK 3 S11: 0.0067 S12: 0.0665 S13: -0.0049 ', 'REMARK 3 S21: -0.0348 S22: 0.0178 S23: -0.0166 ', 'REMARK 3 S31: 0.0793 S32: -0.0534 S33: -0.0245 ', 'REMARK 3 ', 'REMARK 3 TLS GROUP : 2 ', 'REMARK 3 NUMBER OF COMPONENTS GROUP : 1 ', 'REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI ', 'REMARK 3 RESIDUE RANGE : B NULL B ', 'REMARK 3 ORIGIN FOR THE GROUP (A): -7.0952 1.8562 7.5040 ', 'REMARK 3 T TENSOR ', 'REMARK 3 T11: 0.0094 T22: 0.0274 ', 'REMARK 3 T33: 0.0228 T12: 0.0030 ', 'REMARK 3 T13: 0.0116 T23: 0.0108 ', 'REMARK 3 L TENSOR ', 'REMARK 3 L11: 3.8948 L22: 4.9198 ', 'REMARK 3 L33: 4.5029 L12: 2.2326 ', 'REMARK 3 L13: 1.3972 L23: 0.0498 ', 'REMARK 3 S TENSOR ', 'REMARK 3 S11: 0.0186 S12: -0.2491 S13: -0.2251 ', 'REMARK 3 S21: 0.1785 S22: 0.0260 S23: -0.2190 ', 'REMARK 3 S31: 0.1801 S32: -0.1571 S33: -0.0446 ', 'REMARK 3 ', 'REMARK 3 BULK SOLVENT MODELLING. ', 'REMARK 3 METHOD USED : BABINET MODEL WITH MASK ', 'REMARK 3 PARAMETERS FOR MASK CALCULATION ', 'REMARK 3 VDW PROBE RADIUS : 1.20 ', 'REMARK 3 ION PROBE RADIUS : 0.80 ', 'REMARK 3 SHRINKAGE RADIUS : 0.80 ', 'REMARK 3 ', 'REMARK 3 OTHER REFINEMENT REMARKS: NULL ', 'REMARK 4 ', 'REMARK 4 3EQS COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 ', 'REMARK 100 ', 'REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-OCT-08. ', 'REMARK 100 THE RCSB ID CODE IS RCSB049659. ', 'REMARK 200 ', 'REMARK 200 EXPERIMENTAL DETAILS ', 'REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION ', 'REMARK 200 DATE OF DATA COLLECTION : 14-JUN-08 ', 'REMARK 200 TEMPERATURE (KELVIN) : 100 ', 'REMARK 200 PH : 5.6 ', 'REMARK 200 NUMBER OF CRYSTALS USED : 1 ', 'REMARK 200 ', 'REMARK 200 SYNCHROTRON (Y/N) : N ', 'REMARK 200 RADIATION SOURCE : ROTATING ANODE ', 'REMARK 200 BEAMLINE : NULL ', 'REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 ', 'REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M ', 'REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 ', 'REMARK 200 MONOCHROMATOR : NULL ', 'REMARK 200 OPTICS : CONFOCAL ', 'REMARK 200 ', 'REMARK 200 DETECTOR TYPE : IMAGE PLATE ', 'REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ ', 'REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO ', 'REMARK 200 DATA SCALING SOFTWARE : SCALEPACK ', 'REMARK 200 ', 'REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11993 ', 'REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 ', 'REMARK 200 RESOLUTION RANGE LOW (A) : 35.850 ', 'REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL ', 'REMARK 200 ', 'REMARK 200 OVERALL. ', 'REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 ', 'REMARK 200 DATA REDUNDANCY : 7.000 ', 'REMARK 200 R MERGE (I) : 0.05800 ', 'REMARK 200 R SYM (I) : 0.06400 ', 'REMARK 200 FOR THE DATA SET : 46.9000 ', 'REMARK 200 ', 'REMARK 200 IN THE HIGHEST RESOLUTION SHELL. ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 ', 'REMARK 200 COMPLETENESS FOR SHELL (%) : 95.1 ', 'REMARK 200 DATA REDUNDANCY IN SHELL : 6.60 ', 'REMARK 200 R MERGE FOR SHELL (I) : 0.21700 ', 'REMARK 200 R SYM FOR SHELL (I) : 0.23800 ', 'REMARK 200 FOR SHELL : 13.600 ', 'REMARK 200 ', 'REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH ', 'REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT ', 'REMARK 200 SOFTWARE USED: PHASER ', 'REMARK 200 STARTING MODEL: PDB ENTRY 1YCR ', 'REMARK 200 ', 'REMARK 200 REMARK: NULL ', 'REMARK 280 ', 'REMARK 280 CRYSTAL ', 'REMARK 280 SOLVENT CONTENT, VS (%): 41.83 ', 'REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.11 ', 'REMARK 280 ', 'REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M AMMONIUM ACETATE, 0.1M SODIUM ', 'REMARK 280 CITRATE, 30% PEG 4000, PH 5.6, VAPOR DIFFUSION, HANGING DROP, ', 'REMARK 280 TEMPERATURE 298K ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY ', 'REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 ', 'REMARK 290 ', 'REMARK 290 SYMOP SYMMETRY ', 'REMARK 290 NNNMMM OPERATOR ', 'REMARK 290 1555 X,Y,Z ', 'REMARK 290 2555 -X,Y,-Z ', 'REMARK 290 3555 X+1/2,Y+1/2,Z ', 'REMARK 290 4555 -X+1/2,Y+1/2,-Z ', 'REMARK 290 ', 'REMARK 290 WHERE NNN -> OPERATOR NUMBER ', 'REMARK 290 MMM -> TRANSLATION VECTOR ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS ', 'REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM ', 'REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY ', 'REMARK 290 RELATED MOLECULES. ', 'REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 ', 'REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 35.75850 ', 'REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 21.63700 ', 'REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 35.75850 ', 'REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 21.63700 ', 'REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 ', 'REMARK 290 ', 'REMARK 290 REMARK: NULL ', 'REMARK 300 ', 'REMARK 300 BIOMOLECULE: 1, 2 ', 'REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM ', 'REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN ', 'REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON ', 'REMARK 300 BURIED SURFACE AREA. ', 'REMARK 350 ', 'REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN ', 'REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE ', 'REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS ', 'REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND ', 'REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 1 ', 'REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC ', 'REMARK 350 SOFTWARE USED: PISA ', 'REMARK 350 TOTAL BURIED SURFACE AREA: 4320 ANGSTROM**2 ', 'REMARK 350 SURFACE AREA OF THE COMPLEX: 9920 ANGSTROM**2 ', 'REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -30.0 KCAL/MOL ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 2 ', 'REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC ', 'REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC ', 'REMARK 350 SOFTWARE USED: PISA ', 'REMARK 350 TOTAL BURIED SURFACE AREA: 1240 ANGSTROM**2 ', 'REMARK 350 SURFACE AREA OF THE COMPLEX: 5880 ANGSTROM**2 ', 'REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 KCAL/MOL ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 465 ', 'REMARK 465 MISSING RESIDUES ', 'REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE ', 'REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) ', 'REMARK 465 ', 'REMARK 465 M RES C SSSEQI ', 'REMARK 465 GLU A 25 ', 'REMARK 465 PRO B 12 ', 'REMARK 800 ', 'REMARK 800 SITE ', 'REMARK 800 SITE_IDENTIFIER: AC1 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GAI A 201 ', 'REMARK 900 ', 'REMARK 900 RELATED ENTRIES ', 'REMARK 900 RELATED ID: 1YCR RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH A WILD-TYPE P53 ', 'REMARK 900 PEPTIDE ', 'REMARK 900 RELATED ID: 1T4F RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH AN OPTIMIZED P53 ', 'REMARK 900 PEPTIDE ', 'REMARK 900 RELATED ID: 1T4E RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH A SMALL MOLECULE ', 'REMARK 900 INHIBITOR ', 'REMARK 900 RELATED ID: 1RV1 RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH A SMALL MOLECULE ', 'REMARK 900 INHIBITOR '], 'SCALE1': ['SCALE1 0.013983 0.000000 0.006975 0.00000 '], 'SCALE2': ['SCALE2 0.000000 0.023109 0.000000 0.00000 '], 'AUTHOR': ['AUTHOR M.PAZGIER,W.LU '], 'CRYST1': ['CRYST1 71.517 43.274 35.036 90.00 116.51 90.00 C 1 2 1 4 '], 'ORIGX1': ['ORIGX1 1.000000 0.000000 0.000000 0.00000 '], 'ORIGX3': ['ORIGX3 0.000000 0.000000 1.000000 0.00000 '], 'ORIGX2': ['ORIGX2 0.000000 1.000000 0.000000 0.00000 '], 'SOURCE': ['SOURCE MOL_ID: 1; ', 'SOURCE 2 SYNTHETIC: YES; ', 'SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HOMO ', 'SOURCE 4 SAPIENS; ', 'SOURCE 5 MOL_ID: 2; ', 'SOURCE 6 SYNTHETIC: YES; ', 'SOURCE 7 OTHER_DETAILS: PEPTIDE IDENTIFIED BY SCREENING A ', 'SOURCE 8 DUODECIMAL PEPTIDE LIBRARY DISPLAYED ON M13 PHAGE '], 'FORMUL': ['FORMUL 3 GAI C H5 N3 ', 'FORMUL 4 HOH *117(H2 O) '], 'HETNAM': ['HETNAM GAI GUANIDINE '], 'COMPND': ['COMPND MOL_ID: 1; ', 'COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE MDM2; ', 'COMPND 3 CHAIN: A; ', 'COMPND 4 FRAGMENT: UNP RESIDUES 25-109; ', 'COMPND 5 SYNONYM: P53-BINDING PROTEIN MDM2, ONCOPROTEIN MDM2, ', 'COMPND 6 DOUBLE MINUTE 2 PROTEIN, HDM2; ', 'COMPND 7 EC: 6.3.2.-; ', 'COMPND 8 ENGINEERED: YES; ', 'COMPND 9 MOL_ID: 2; ', 'COMPND 10 MOLECULE: 12-MER PEPTIDE INHIBITOR; ', 'COMPND 11 CHAIN: B; ', 'COMPND 12 ENGINEERED: YES '], 'REVDAT': ['REVDAT 1 17-MAR-09 3EQS 0 '], 'HET': ['HET GAI A 201 4 '], 'SHEET': ['SHEET 1 A 2 LEU A 27 VAL A 28 0 ', 'SHEET 2 A 2 TYR A 48 THR A 49 -1 O TYR A 48 N VAL A 28 ', 'SHEET 1 B 2 ILE A 74 TYR A 76 0 ', 'SHEET 2 B 2 SER A 90 SER A 92 -1 O PHE A 91 N VAL A 75 '], 'SITE': ['SITE 1 AC1 4 TYR A 76 HIS A 96 TYR A 100 LEU B 10 '], 'HEADER': ['HEADER LIGASE 01-OCT-08 3EQS '], 'EXPDTA': ['EXPDTA X-RAY DIFFRACTION '], 'SCALE3': ['SCALE3 0.000000 0.000000 0.031896 0.00000 '], 'JRNL': ['JRNL AUTH M.PAZGIER,M.LIU,G.ZOU,W.YUAN,C.LI,C.LI,J.LI, ', 'JRNL AUTH 2 J.MONBO,D.ZELLA,S.G.TARASOV,W.LU ', 'JRNL TITL STRUCTURAL BASIS FOR HIGH-AFFINITY PEPTIDE ', 'JRNL TITL 2 INHIBITION OF P53 INTERACTIONS WITH MDM2 AND MDMX. ', 'JRNL REF PROC.NATL.ACAD.SCI.USA 2009 ', 'JRNL REFN ESSN 1091-6490 ', 'JRNL PMID 19255450 ', 'JRNL DOI 10.1073/PNAS.0900947106 ']}, {'KEYWDS': ['KEYWDS MDM4,MDMX,MDMX-PEPTIDE INHIBITOR COMPLEX, ONCOPROTEIN, ', 'KEYWDS 2 METAL-BINDING, NUCLEUS, POLYMORPHISM, ZINC, ZINC-FINGER '], 'SEQRES': ['SEQRES 1 A 85 ILE ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS ILE ', 'SEQRES 2 A 85 LEU HIS ALA ALA GLY ALA GLN GLY GLU MET PHE THR VAL ', 'SEQRES 3 A 85 LYS GLU VAL MET HIS TYR LEU GLY GLN TYR ILE MET VAL ', 'SEQRES 4 A 85 LYS GLN LEU TYR ASP ALA ALA ALA GLN HIS MET VAL TYR ', 'SEQRES 5 A 85 CYS GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG GLN ', 'SEQRES 6 A 85 SER PHE SER VAL LYS ASP PRO SER PRO LEU TYR ASP MET ', 'SEQRES 7 A 85 LEU ARG LYS ASN LEU VAL THR ', 'SEQRES 1 B 85 ILE ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS ILE ', 'SEQRES 2 B 85 LEU HIS ALA ALA GLY ALA GLN GLY GLU MET PHE THR VAL ', 'SEQRES 3 B 85 LYS GLU VAL MET HIS TYR LEU GLY GLN TYR ILE MET VAL ', 'SEQRES 4 B 85 LYS GLN LEU TYR ASP ALA ALA ALA GLN HIS MET VAL TYR ', 'SEQRES 5 B 85 CYS GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG GLN ', 'SEQRES 6 B 85 SER PHE SER VAL LYS ASP PRO SER PRO LEU TYR ASP MET ', 'SEQRES 7 B 85 LEU ARG LYS ASN LEU VAL THR ', 'SEQRES 1 C 12 THR SER PHE ALA GLU TYR TRP ASN LEU LEU SER PRO ', 'SEQRES 1 D 12 THR SER PHE ALA GLU TYR TRP ASN LEU LEU SER PRO '], 'DBREF': ['DBREF 3EQY A 24 108 UNP O15151 MDM4_HUMAN 24 108 ', 'DBREF 3EQY B 24 108 UNP O15151 MDM4_HUMAN 24 108 ', 'DBREF 3EQY C 1 12 PDB 3EQY 3EQY 1 12 ', 'DBREF 3EQY D 1 12 PDB 3EQY 3EQY 1 12 '], 'TITLE': ['TITLE CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH A 12-MER ', 'TITLE 2 PEPTIDE INHIBITOR '], 'HELIX': ['HELIX 1 1 LYS A 30 ALA A 40 1 11 ', 'HELIX 2 2 THR A 48 LYS A 63 1 16 ', 'HELIX 3 3 ASP A 79 GLY A 86 1 8 ', 'HELIX 4 4 PRO A 95 ASN A 105 1 11 ', 'HELIX 5 5 LYS B 30 ALA B 40 1 11 ', 'HELIX 6 6 THR B 48 LYS B 63 1 16 ', 'HELIX 7 7 ASP B 79 GLY B 86 1 8 ', 'HELIX 8 8 PRO B 95 ASN B 105 1 11 ', 'HELIX 9 9 SER C 2 LEU C 9 1 8 ', 'HELIX 10 10 SER D 2 LEU D 9 1 8 '], 'REMARK': ['REMARK 1 ', 'REMARK 2 ', 'REMARK 2 RESOLUTION. 1.63 ANGSTROMS. ', 'REMARK 3 ', 'REMARK 3 REFINEMENT. ', 'REMARK 3 PROGRAM : REFMAC 5.4.0077 ', 'REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON ', 'REMARK 3 ', 'REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD ', 'REMARK 3 ', 'REMARK 3 DATA USED IN REFINEMENT. ', 'REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.63 ', 'REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 ', 'REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL ', 'REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 ', 'REMARK 3 NUMBER OF REFLECTIONS : 26538 ', 'REMARK 3 ', 'REMARK 3 FIT TO DATA USED IN REFINEMENT. ', 'REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT ', 'REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM ', 'REMARK 3 R VALUE (WORKING + TEST SET) : 0.156 ', 'REMARK 3 R VALUE (WORKING SET) : 0.155 ', 'REMARK 3 FREE R VALUE : 0.169 ', 'REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 ', 'REMARK 3 FREE R VALUE TEST SET COUNT : 1401 ', 'REMARK 3 ', 'REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. ', 'REMARK 3 TOTAL NUMBER OF BINS USED : 20 ', 'REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.63 ', 'REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.67 ', 'REMARK 3 REFLECTION IN BIN (WORKING SET) : 1971 ', 'REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.13 ', 'REMARK 3 BIN R VALUE (WORKING SET) : 0.1930 ', 'REMARK 3 BIN FREE R VALUE SET COUNT : 82 ', 'REMARK 3 BIN FREE R VALUE : 0.2260 ', 'REMARK 3 ', 'REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. ', 'REMARK 3 PROTEIN ATOMS : 1622 ', 'REMARK 3 NUCLEIC ACID ATOMS : 0 ', 'REMARK 3 HETEROGEN ATOMS : 28 ', 'REMARK 3 SOLVENT ATOMS : 260 ', 'REMARK 3 ', 'REMARK 3 B VALUES. ', 'REMARK 3 FROM WILSON PLOT (A**2) : NULL ', 'REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.89 ', 'REMARK 3 OVERALL ANISOTROPIC B VALUE. ', 'REMARK 3 B11 (A**2) : 0.18000 ', 'REMARK 3 B22 (A**2) : 0.18000 ', 'REMARK 3 B33 (A**2) : -0.28000 ', 'REMARK 3 B12 (A**2) : 0.09000 ', 'REMARK 3 B13 (A**2) : 0.00000 ', 'REMARK 3 B23 (A**2) : 0.00000 ', 'REMARK 3 ', 'REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. ', 'REMARK 3 ESU BASED ON R VALUE (A): 0.082 ', 'REMARK 3 ESU BASED ON FREE R VALUE (A): 0.075 ', 'REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.041 ', 'REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.500 ', 'REMARK 3 ', 'REMARK 3 CORRELATION COEFFICIENTS. ', 'REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.971 ', 'REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.965 ', 'REMARK 3 ', 'REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT ', 'REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1697 ; 0.019 ; 0.022 ', 'REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2324 ; 1.746 ; 2.001 ', 'REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL ', 'REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 222 ; 5.482 ; 5.000 ', 'REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 75 ;43.051 ;24.933 ', 'REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 309 ;11.670 ;15.000 ', 'REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 6 ;18.427 ;15.000 ', 'REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 256 ; 0.120 ; 0.200 ', 'REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1288 ; 0.011 ; 0.021 ', 'REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL ', 'REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT ', 'REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1019 ; 0.988 ; 1.500 ', 'REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1644 ; 1.565 ; 2.000 ', 'REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 678 ; 2.488 ; 3.000 ', 'REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 661 ; 3.934 ; 4.500 ', 'REMARK 3 ', 'REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT ', 'REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 NCS RESTRAINTS STATISTICS ', 'REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 2 ', 'REMARK 3 ', 'REMARK 3 NCS GROUP NUMBER : 1 ', 'REMARK 3 CHAIN NAMES : A B ', 'REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 0 ', 'REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE ', 'REMARK 3 GROUP CHAIN COUNT RMS WEIGHT ', 'REMARK 3 TIGHT POSITIONAL 1 A (A): 685 ; 0.01 ; 0.05 ', 'REMARK 3 TIGHT THERMAL 1 A (A**2): 685 ; 0.11 ; 0.50 ', 'REMARK 3 ', 'REMARK 3 NCS GROUP NUMBER : 2 ', 'REMARK 3 CHAIN NAMES : C D ', 'REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 0 ', 'REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE ', 'REMARK 3 GROUP CHAIN COUNT RMS WEIGHT ', 'REMARK 3 TIGHT POSITIONAL 2 B (A): 102 ; 0.21 ; 0.05 ', 'REMARK 3 TIGHT THERMAL 2 B (A**2): 102 ; 0.18 ; 0.50 ', 'REMARK 3 ', 'REMARK 3 TLS DETAILS ', 'REMARK 3 NUMBER OF TLS GROUPS : 4 ', 'REMARK 3 ', 'REMARK 3 TLS GROUP : 1 ', 'REMARK 3 NUMBER OF COMPONENTS GROUP : 1 ', 'REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI ', 'REMARK 3 RESIDUE RANGE : A NULL A ', 'REMARK 3 ORIGIN FOR THE GROUP (A): -10.0313 18.2984 3.9288 ', 'REMARK 3 T TENSOR ', 'REMARK 3 T11: 0.0462 T22: 0.0429 ', 'REMARK 3 T33: 0.0350 T12: 0.0030 ', 'REMARK 3 T13: -0.0069 T23: -0.0107 ', 'REMARK 3 L TENSOR ', 'REMARK 3 L11: 1.4055 L22: 1.1216 ', 'REMARK 3 L33: 0.9513 L12: 0.5191 ', 'REMARK 3 L13: -0.4844 L23: -0.1389 ', 'REMARK 3 S TENSOR ', 'REMARK 3 S11: 0.0140 S12: 0.0624 S13: -0.0190 ', 'REMARK 3 S21: -0.0381 S22: -0.0184 S23: 0.1068 ', 'REMARK 3 S31: 0.0325 S32: -0.0621 S33: 0.0044 ', 'REMARK 3 ', 'REMARK 3 TLS GROUP : 2 ', 'REMARK 3 NUMBER OF COMPONENTS GROUP : 1 ', 'REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI ', 'REMARK 3 RESIDUE RANGE : B NULL B ', 'REMARK 3 ORIGIN FOR THE GROUP (A): -20.9537 44.0943 9.9150 ', 'REMARK 3 T TENSOR ', 'REMARK 3 T11: 0.0425 T22: 0.0484 ', 'REMARK 3 T33: 0.0342 T12: -0.0005 ', 'REMARK 3 T13: 0.0056 T23: -0.0121 ', 'REMARK 3 L TENSOR ', 'REMARK 3 L11: 0.7460 L22: 1.8277 ', 'REMARK 3 L33: 0.9516 L12: -0.1463 ', 'REMARK 3 L13: -0.1059 L23: -0.4934 ', 'REMARK 3 S TENSOR ', 'REMARK 3 S11: -0.0177 S12: 0.0543 S13: -0.0983 ', 'REMARK 3 S21: -0.0484 S22: 0.0157 S23: 0.0420 ', 'REMARK 3 S31: 0.0767 S32: -0.0065 S33: 0.0020 ', 'REMARK 3 ', 'REMARK 3 TLS GROUP : 3 ', 'REMARK 3 NUMBER OF COMPONENTS GROUP : 1 ', 'REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI ', 'REMARK 3 RESIDUE RANGE : C NULL C ', 'REMARK 3 ORIGIN FOR THE GROUP (A): -16.1963 17.8285 14.0000 ', 'REMARK 3 T TENSOR ', 'REMARK 3 T11: 0.0437 T22: 0.0144 ', 'REMARK 3 T33: 0.0407 T12: -0.0152 ', 'REMARK 3 T13: 0.0206 T23: -0.0073 ', 'REMARK 3 L TENSOR ', 'REMARK 3 L11: 10.5933 L22: 1.5699 ', 'REMARK 3 L33: 3.0812 L12: 0.8319 ', 'REMARK 3 L13: -0.1656 L23: 1.1001 ', 'REMARK 3 S TENSOR ', 'REMARK 3 S11: -0.1292 S12: -0.2119 S13: -0.0388 ', 'REMARK 3 S21: 0.2035 S22: -0.0556 S23: 0.2263 ', 'REMARK 3 S31: 0.1662 S32: -0.1840 S33: 0.1849 ', 'REMARK 3 ', 'REMARK 3 TLS GROUP : 4 ', 'REMARK 3 NUMBER OF COMPONENTS GROUP : 1 ', 'REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI ', 'REMARK 3 RESIDUE RANGE : D NULL D ', 'REMARK 3 ORIGIN FOR THE GROUP (A): -23.5228 38.5251 19.8481 ', 'REMARK 3 T TENSOR ', 'REMARK 3 T11: 0.0431 T22: 0.0155 ', 'REMARK 3 T33: 0.0420 T12: 0.0209 ', 'REMARK 3 T13: 0.0211 T23: 0.0170 ', 'REMARK 3 L TENSOR ', 'REMARK 3 L11: 3.8495 L22: 9.9629 ', 'REMARK 3 L33: 3.2341 L12: 4.4404 ', 'REMARK 3 L13: -1.2341 L23: 0.4391 ', 'REMARK 3 S TENSOR ', 'REMARK 3 S11: -0.0766 S12: -0.2541 S13: -0.2465 ', 'REMARK 3 S21: 0.2331 S22: -0.1506 S23: 0.0350 ', 'REMARK 3 S31: 0.2462 S32: 0.0456 S33: 0.2272 ', 'REMARK 3 ', 'REMARK 3 BULK SOLVENT MODELLING. ', 'REMARK 3 METHOD USED : BABINET MODEL WITH MASK ', 'REMARK 3 PARAMETERS FOR MASK CALCULATION ', 'REMARK 3 VDW PROBE RADIUS : 1.20 ', 'REMARK 3 ION PROBE RADIUS : 0.80 ', 'REMARK 3 SHRINKAGE RADIUS : 0.80 ', 'REMARK 3 ', 'REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE ', 'REMARK 3 RIDING POSITIONS ', 'REMARK 4 ', 'REMARK 4 3EQY COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 ', 'REMARK 100 ', 'REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-OCT-08. ', 'REMARK 100 THE RCSB ID CODE IS RCSB049665. ', 'REMARK 200 ', 'REMARK 200 EXPERIMENTAL DETAILS ', 'REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION ', 'REMARK 200 DATE OF DATA COLLECTION : 27-MAY-08 ', 'REMARK 200 TEMPERATURE (KELVIN) : 100 ', 'REMARK 200 PH : 7.5 ', 'REMARK 200 NUMBER OF CRYSTALS USED : 1 ', 'REMARK 200 ', 'REMARK 200 SYNCHROTRON (Y/N) : N ', 'REMARK 200 RADIATION SOURCE : ROTATING ANODE ', 'REMARK 200 BEAMLINE : NULL ', 'REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 ', 'REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M ', 'REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 ', 'REMARK 200 MONOCHROMATOR : NULL ', 'REMARK 200 OPTICS : CONFOCAL ', 'REMARK 200 ', 'REMARK 200 DETECTOR TYPE : IMAGE PLATE ', 'REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ ', 'REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO ', 'REMARK 200 DATA SCALING SOFTWARE : SCALEPACK ', 'REMARK 200 ', 'REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 27972 ', 'REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 ', 'REMARK 200 RESOLUTION RANGE LOW (A) : 65.510 ', 'REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL ', 'REMARK 200 ', 'REMARK 200 OVERALL. ', 'REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 ', 'REMARK 200 DATA REDUNDANCY : 5.200 ', 'REMARK 200 R MERGE (I) : 0.04500 ', 'REMARK 200 R SYM (I) : 0.04900 ', 'REMARK 200 FOR THE DATA SET : 64.3000 ', 'REMARK 200 ', 'REMARK 200 IN THE HIGHEST RESOLUTION SHELL. ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 ', 'REMARK 200 COMPLETENESS FOR SHELL (%) : 94.8 ', 'REMARK 200 DATA REDUNDANCY IN SHELL : 4.80 ', 'REMARK 200 R MERGE FOR SHELL (I) : 0.10100 ', 'REMARK 200 R SYM FOR SHELL (I) : 0.09800 ', 'REMARK 200 FOR SHELL : 20.200 ', 'REMARK 200 ', 'REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH ', 'REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT ', 'REMARK 200 SOFTWARE USED: PHASER ', 'REMARK 200 STARTING MODEL: PDB ENTRY 2Z5T ', 'REMARK 200 ', 'REMARK 200 REMARK: NULL ', 'REMARK 280 ', 'REMARK 280 CRYSTAL ', 'REMARK 280 SOLVENT CONTENT, VS (%): 53.40 ', 'REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64 ', 'REMARK 280 ', 'REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M HEPES, 0.8 M SODIUM PHOSPHATE, ', 'REMARK 280 0.8 M POTASSIUM PHOSPHATE, PH 7.5, VAPOR DIFFUSION, HANGING ', 'REMARK 280 DROP, TEMPERATURE 298K ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY ', 'REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 ', 'REMARK 290 ', 'REMARK 290 SYMOP SYMMETRY ', 'REMARK 290 NNNMMM OPERATOR ', 'REMARK 290 1555 X,Y,Z ', 'REMARK 290 2555 -Y,X-Y,Z+1/3 ', 'REMARK 290 3555 -X+Y,-X,Z+2/3 ', 'REMARK 290 ', 'REMARK 290 WHERE NNN -> OPERATOR NUMBER ', 'REMARK 290 MMM -> TRANSLATION VECTOR ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS ', 'REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM ', 'REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY ', 'REMARK 290 RELATED MOLECULES. ', 'REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 11.72700 ', 'REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 23.45400 ', 'REMARK 290 ', 'REMARK 290 REMARK: NULL ', 'REMARK 300 ', 'REMARK 300 BIOMOLECULE: 1, 2 ', 'REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM ', 'REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN ', 'REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON ', 'REMARK 300 BURIED SURFACE AREA. ', 'REMARK 350 ', 'REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN ', 'REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE ', 'REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS ', 'REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND ', 'REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 1 ', 'REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC ', 'REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC ', 'REMARK 350 SOFTWARE USED: PISA ', 'REMARK 350 TOTAL BURIED SURFACE AREA: 1590 ANGSTROM**2 ', 'REMARK 350 SURFACE AREA OF THE COMPLEX: 5720 ANGSTROM**2 ', 'REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 2 ', 'REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC ', 'REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC ', 'REMARK 350 SOFTWARE USED: PISA ', 'REMARK 350 TOTAL BURIED SURFACE AREA: 1590 ANGSTROM**2 ', 'REMARK 350 SURFACE AREA OF THE COMPLEX: 5720 ANGSTROM**2 ', 'REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 465 ', 'REMARK 465 MISSING RESIDUES ', 'REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE ', 'REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) ', 'REMARK 465 ', 'REMARK 465 M RES C SSSEQI ', 'REMARK 465 ILE A 24 ', 'REMARK 465 ILE B 24 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: TORSION ANGLES ', 'REMARK 500 ', 'REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: ', 'REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; ', 'REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- ', 'REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI PSI PHI ', 'REMARK 500 ALA A 70 78.44 -155.08 ', 'REMARK 500 ALA B 70 79.13 -153.49 ', 'REMARK 500 SER C 11 63.44 -151.01 ', 'REMARK 500 SER D 11 65.36 -151.28 ', 'REMARK 500 ', 'REMARK 500 REMARK: NULL ', 'REMARK 800 ', 'REMARK 800 SITE ', 'REMARK 800 SITE_IDENTIFIER: AC1 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GAI A 302 ', 'REMARK 800 SITE_IDENTIFIER: AC2 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 303 ', 'REMARK 800 SITE_IDENTIFIER: AC3 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 306 ', 'REMARK 800 SITE_IDENTIFIER: AC4 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GAI B 301 ', 'REMARK 800 SITE_IDENTIFIER: AC5 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 304 ', 'REMARK 800 SITE_IDENTIFIER: AC6 ', 'REMARK 800 EVIDENCE_CODE: SOFTWARE ', 'REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 305 ', 'REMARK 900 ', 'REMARK 900 RELATED ENTRIES ', 'REMARK 900 RELATED ID: 3EQS RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH A 12-MER PEPTIDE ', 'REMARK 900 INHIBITOR ', 'REMARK 900 RELATED ID: 3DAB RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF HUMAN MDMX IN COMPLEX WITH A WILD-TYPE P53 ', 'REMARK 900 PEPTIDE ', 'REMARK 900 RELATED ID: 3DAC RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF ZEBRAFISH MDMX (MUTATED TO MIMIC HUMAN MDMX) ', 'REMARK 900 IN COMPLEX WITH A WILD-TYPE P53 PEPTIDE ', 'REMARK 900 RELATED ID: 2Z5T RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF ZEBRAFISH MDMX (MUTATED TO MIMIC HUMAN MDMX) ', 'REMARK 900 IN COMPLEX WITH A WILD-TYPE P53 PEPTIDE ', 'REMARK 900 RELATED ID: 2Z5S RELATED DB: PDB ', 'REMARK 900 STRUCTURE OF ZEBRAFISH MDMX IN COMPLEX WITH A WILD-TYPE P53 ', 'REMARK 900 PEPTIDE '], 'SCALE1': ['SCALE1 0.013223 0.007634 0.000000 0.00000 '], 'SCALE2': ['SCALE2 0.000000 0.015268 0.000000 0.00000 '], 'AUTHOR': ['AUTHOR M.PAZGIER,W.LU '], 'CRYST1': ['CRYST1 75.627 75.627 35.181 90.00 90.00 120.00 P 31 6 '], 'ORIGX1': ['ORIGX1 1.000000 0.000000 0.000000 0.00000 '], 'ORIGX3': ['ORIGX3 0.000000 0.000000 1.000000 0.00000 '], 'ORIGX2': ['ORIGX2 0.000000 1.000000 0.000000 0.00000 '], 'SOURCE': ['SOURCE MOL_ID: 1; ', 'SOURCE 2 SYNTHETIC: YES; ', 'SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HOMO ', 'SOURCE 4 SAPIENS; ', 'SOURCE 5 MOL_ID: 2; ', 'SOURCE 6 SYNTHETIC: YES; ', 'SOURCE 7 OTHER_DETAILS: PEPTIDE IDENTIFIED BY SCREENING A ', 'SOURCE 8 DUODECIMAL PEPTIDE LIBRARY DISPLAYED ON M13 PHAGE '], 'FORMUL': ['FORMUL 5 GAI 2(C H5 N3) ', 'FORMUL 6 PO4 4(O4 P 3-) ', 'FORMUL 11 HOH *260(H2 O) '], 'HETNAM': ['HETNAM GAI GUANIDINE ', 'HETNAM PO4 PHOSPHATE ION '], 'COMPND': ['COMPND MOL_ID: 1; ', 'COMPND 2 MOLECULE: MDM4 PROTEIN; ', 'COMPND 3 CHAIN: A, B; ', 'COMPND 4 FRAGMENT: UNP RESIDUES RESIDUES 24-108; ', 'COMPND 5 SYNONYM: P53-BINDING PROTEIN MDM4, MDM2-LIKE P53-BINDING ', 'COMPND 6 PROTEIN, PROTEIN MDMX, DOUBLE MINUTE 4 PROTEIN; ', 'COMPND 7 ENGINEERED: YES; ', 'COMPND 8 MUTATION: YES; ', 'COMPND 9 MOL_ID: 2; ', 'COMPND 10 MOLECULE: 12-MER PEPTIDE INHIBITOR; ', 'COMPND 11 CHAIN: C, D; ', 'COMPND 12 ENGINEERED: YES '], 'REVDAT': ['REVDAT 1 17-MAR-09 3EQY 0 '], 'HET': ['HET GAI A 302 4 ', 'HET PO4 A 303 5 ', 'HET PO4 A 306 5 ', 'HET GAI B 301 4 ', 'HET PO4 B 304 5 ', 'HET PO4 B 305 5 '], 'SHEET': ['SHEET 1 A 2 ARG A 28 PRO A 29 0 ', 'SHEET 2 A 2 LEU A 106 VAL A 107 -1 O VAL A 107 N ARG A 28 ', 'SHEET 1 B 3 TYR A 66 ASP A 67 0 ', 'SHEET 2 B 3 ALA A 70 TYR A 75 -1 O MET A 73 N ASP A 67 ', 'SHEET 3 B 3 SER A 89 SER A 91 -1 O PHE A 90 N VAL A 74 ', 'SHEET 1 C 2 ARG B 28 PRO B 29 0 ', 'SHEET 2 C 2 LEU B 106 VAL B 107 -1 O VAL B 107 N ARG B 28 ', 'SHEET 1 D 3 TYR B 66 ASP B 67 0 ', 'SHEET 2 D 3 ALA B 70 TYR B 75 -1 O MET B 73 N ASP B 67 ', 'SHEET 3 D 3 SER B 89 SER B 91 -1 O PHE B 90 N VAL B 74 '], 'SITE': ['SITE 1 AC1 4 HIS A 38 GLY A 44 GLU A 45 HOH A 391 ', 'SITE 1 AC2 6 GLN A 26 THR A 48 GLU A 51 HOH A 400 ', 'SITE 2 AC2 6 ARG B 87 GLN B 88 ', 'SITE 1 AC3 5 TYR A 59 LYS A 63 ASP A 79 LEU A 80 ', 'SITE 2 AC3 5 HOH A 381 ', 'SITE 1 AC4 4 HIS B 38 GLY B 44 GLU B 45 HOH B 460 ', 'SITE 1 AC5 8 ARG A 87 GLN A 88 GLN B 26 THR B 48 ', 'SITE 2 AC5 8 GLU B 51 HOH B 439 HOH B 449 HOH B 472 ', 'SITE 1 AC6 6 TYR B 59 LYS B 63 ASP B 79 LEU B 80 ', 'SITE 2 AC6 6 HOH B 432 HOH B 443 '], 'HEADER': ['HEADER ONCOPROTEIN 01-OCT-08 3EQY '], 'EXPDTA': ['EXPDTA X-RAY DIFFRACTION '], 'SCALE3': ['SCALE3 0.000000 0.000000 0.028424 0.00000 '], 'JRNL': ['JRNL AUTH M.PAZGIER,M.LIU,G.ZOU,W.YUAN,C.LI,C.LI,J.LI, ', 'JRNL AUTH 2 J.MONBO,D.ZELLA,S.G.TARASOV,W.LU ', 'JRNL TITL STRUCTURAL BASIS FOR HIGH-AFFINITY PEPTIDE ', 'JRNL TITL 2 INHIBITION OF P53 INTERACTIONS WITH MDM2 AND MDMX. ', 'JRNL REF PROC.NATL.ACAD.SCI.USA 2009 ', 'JRNL REFN ESSN 1091-6490 ', 'JRNL PMID 19255450 ', 'JRNL DOI 10.1073/PNAS.0900947106 '], 'SEQADV': ['SEQADV 3EQY ALA A 68 UNP O15151 GLN 68 ENGINEERED ', 'SEQADV 3EQY ALA A 69 UNP O15151 GLN 69 ENGINEERED ', 'SEQADV 3EQY ALA A 70 UNP O15151 GLU 70 ENGINEERED ', 'SEQADV 3EQY ALA B 68 UNP O15151 GLN 68 ENGINEERED ', 'SEQADV 3EQY ALA B 69 UNP O15151 GLN 69 ENGINEERED ', 'SEQADV 3EQY ALA B 70 UNP O15151 GLU 70 ENGINEERED ']}], 'ids': (2, (1, 0), {(0, 0): [0]}), 'surfaceOpacity': (2, -1, {}), 'autochain': (2, True, {}), 'vdwDensity': (2, 5, {}), 'hidden': (2, False, {}), 'lineWidth': (2, 1, {}), 'stickScale': (2, 1, {}), 'display': (2, True, {})} resInfo = {'insert': (195, ' ', {}), 'name': (195, 'LEU', {'ILE': [35, 48, 73, 77, 107, 131], 'GLN': [18, 33, 45, 46, 97, 114, 129, 135, 142, 159], 'GLY': [16, 32, 57, 61, 112, 115, 128, 148, 149, 153, 157], 'GLU': [26, 43, 69, 88, 116, 122, 154, 184], 'CYS': [51, 147], 'ASP': [20, 42, 54, 58, 138, 150, 165, 171], 'SER': [14, 52, 64, 66, 85, 94, 160, 162, 167, 181, 190], 'LYS': [5, 10, 13, 19, 25, 38, 44, 68, 72, 101, 106, 121, 134, 164, 175], 'PRO': [4, 6, 63, 100, 103, 166, 168, 191], 'GAI': [95, 192], 'ASN': [53, 80, 91, 96, 176, 187], 'VAL': [2, 15, 27, 49, 62, 67, 82, 83, 98, 120, 123, 133, 145, 163, 178], 'PO4': [193, 194], 'THR': [0, 21, 23, 37, 75, 84, 119, 179, 180], 'HIS': [47, 70, 109, 125, 143], 'TRP': [90, 186], 'PHE': [29, 60, 65, 86, 118, 161, 182], 'ALA': [17, 87, 110, 111, 113, 139, 140, 141, 183], 'MET': [24, 36, 76, 117, 124, 132, 144, 172], 'ARG': [3, 39, 71, 79, 99, 158, 174], 'TYR': [22, 30, 34, 41, 50, 74, 78, 89, 126, 130, 137, 146, 170, 185]}), 'chain': (195, 'A', {'C': (None, [(180, 12)]), 'B': (None, [(84, 11)])}), 'ss': (195, (True, False, False), {(False, True, False): (None, [(48, 3), (64, 3), (144, 3), (160, 3)]), (False, False, False): (None, [(0, 6), (16, 8), (39, 9), (51, 4), (61, 3), (67, 3), (81, 5), (94, 8), (112, 8), (134, 10), (147, 4), (157, 3), (163, 3), (177, 5), (189, 6)])}), 'molecule': (195, 1, {0: (None, [(0, 96)])}), 'ribbonColor': (195, None, {2: (None, [(84, 11)]), 3: (None, [(180, 12)])}), 'label': (195, '', {}), 'labelColor': (195, None, {}), 'isHet': (195, False, {True: (None, [(95, 1), (192, 3)])}), 'position': [(26, 84), (1, 11), (201, 1), (25, 84), (1, 12), (302, 2), (306, 1)], 'ribbonDisplay': (195, True, {False: (None, [(95, 1), (192, 3)])}), 'optional': {}, 'ribbonDrawMode': (195, 2, {})} atomInfo = {'residue': (1573, 92, {2: (None, [(0, 6), (696, 1)]), 3: (None, [(6, 7), (695, 1)]), 4: (None, [(13, 6), (694, 1)]), 5: (None, [(19, 10), (693, 1)]), 6: (None, [(29, 6), (692, 1)]), 7: (None, [(35, 8), (691, 1)]), 8: (None, [(43, 6), (690, 1)]), 9: (None, [(49, 7), (689, 1)]), 10: (None, [(56, 7), (688, 1)]), 11: (None, [(63, 7), (687, 1)]), 12: (None, [(70, 8), (686, 1)]), 13: (None, [(78, 7), (685, 1)]), 14: (None, [(85, 7), (684, 1)]), 15: (None, [(92, 8), (683, 1)]), 16: (None, [(100, 5), (682, 1)]), 17: (None, [(105, 6), (681, 1)]), 18: (None, [(111, 3), (680, 1)]), 19: (None, [(114, 4), (679, 1)]), 20: (None, [(118, 8), (678, 1)]), 21: (None, [(126, 8), (677, 1)]), 22: (None, [(134, 7), (676, 1)]), 23: (None, [(141, 6), (675, 1)]), 24: (None, [(147, 11), (674, 1)]), 25: (None, [(158, 6), (673, 1)]), 26: (None, [(164, 7), (672, 1)]), 27: (None, [(171, 8), (671, 1)]), 28: (None, [(179, 8), (670, 1)]), 29: (None, [(187, 6), (669, 1)]), 30: (None, [(193, 7), (668, 1)]), 31: (None, [(200, 10), (667, 1)]), 32: (None, [(210, 11), (666, 1)]), 33: (None, [(221, 7), (665, 1)]), 34: (None, [(228, 3), (664, 1)]), 35: (None, [(231, 8), (663, 1)]), 36: (None, [(239, 11), (662, 1)]), 37: (None, [(250, 7), (661, 1)]), 38: (None, [(257, 7), (660, 1)]), 39: (None, [(264, 6), (659, 1)]), 40: (None, [(270, 8), (658, 1)]), 41: (None, [(278, 10), (657, 1)]), 42: (None, [(288, 7), (656, 1)]), 43: (None, [(295, 11), (655, 1)]), 44: (None, [(306, 7), (654, 1)]), 45: (None, [(313, 8), (653, 1)]), 46: (None, [(321, 8), (652, 1)]), 47: (None, [(329, 8), (651, 1)]), 48: (None, [(337, 8), (650, 1)]), 49: (None, [(345, 9), (649, 1)]), 50: (None, [(354, 7), (648, 1)]), 51: (None, [(361, 6), (647, 1)]), 52: (None, [(367, 11), (646, 1)]), 53: (None, [(378, 5), (645, 1)]), 54: (None, [(383, 5), (644, 1)]), 55: (None, [(388, 7), (643, 1)]), 56: (None, [(395, 7), (642, 1)]), 57: (None, [(402, 7), (641, 1)]), 58: (None, [(409, 7), (640, 1)]), 59: (None, [(416, 3), (639, 1)]), 60: (None, [(419, 7), (638, 1)]), 61: (None, [(426, 7), (637, 1)]), 62: (None, [(433, 10), (636, 1)]), 63: (None, [(443, 3), (635, 1)]), 64: (None, [(446, 6), (634, 1)]), 65: (None, [(452, 7)]), 66: (None, [(459, 5), (633, 1)]), 67: (None, [(464, 10), (632, 1)]), 68: (None, [(474, 5), (631, 1)]), 69: (None, [(479, 6), (630, 1)]), 70: (None, [(485, 8), (629, 1)]), 71: (None, [(493, 8), (628, 1)]), 72: (None, [(501, 9), (627, 1)]), 73: (None, [(510, 10), (626, 1)]), 74: (None, [(520, 8), (625, 1)]), 75: (None, [(528, 7), (624, 1)]), 76: (None, [(535, 11), (623, 1)]), 77: (None, [(546, 6), (622, 1)]), 78: (None, [(552, 7), (621, 1)]), 79: (None, [(559, 7), (620, 1)]), 80: (None, [(566, 11), (619, 1)]), 81: (None, [(577, 10), (618, 1)]), 82: (None, [(587, 7), (617, 1)]), 83: (None, [(594, 7), (616, 1)]), 84: (None, [(601, 6), (615, 1)]), 85: (None, [(607, 8)]), 86: (None, [(697, 6), (790, 1)]), 87: (None, [(703, 5), (789, 1)]), 88: (None, [(708, 10), (788, 1)]), 89: (None, [(718, 4), (787, 1)]), 90: (None, [(722, 8), (786, 1)]), 91: (None, [(730, 11), (785, 1)]), 93: (None, [(754, 7), (783, 1)]), 94: (None, [(761, 7), (782, 1)]), 95: (None, [(768, 7), (781, 1)]), 96: (None, [(775, 6)]), 97: (None, [(791, 4)]), 98: (None, [(795, 7), (1456, 1)]), 99: (None, [(802, 8), (1455, 1)]), 100: (None, [(810, 6), (1454, 1)]), 101: (None, [(816, 10), (1453, 1)]), 102: (None, [(826, 6), (1452, 1)]), 103: (None, [(832, 8), (1451, 1)]), 104: (None, [(840, 8)]), 105: (None, [(848, 6), (1450, 1)]), 106: (None, [(854, 7), (1449, 1)]), 107: (None, [(861, 7), (1448, 1)]), 108: (None, [(868, 8), (1447, 1)]), 109: (None, [(876, 7), (1446, 1)]), 110: (None, [(883, 7), (1445, 1)]), 111: (None, [(890, 9), (1444, 1)]), 112: (None, [(899, 4), (1443, 1)]), 113: (None, [(903, 4), (1442, 1)]), 114: (None, [(907, 3), (1441, 1)]), 115: (None, [(910, 4), (1440, 1)]), 116: (None, [(914, 8), (1439, 1)]), 117: (None, [(922, 3), (1438, 1)]), 118: (None, [(925, 8), (1437, 1)]), 119: (None, [(933, 7), (1436, 1)]), 120: (None, [(940, 10), (1435, 1)]), 121: (None, [(950, 6), (1434, 1)]), 122: (None, [(956, 6), (1433, 1)]), 123: (None, [(962, 8), (1432, 1)]), 124: (None, [(970, 8), (1431, 1)]), 125: (None, [(978, 6), (1430, 1)]), 126: (None, [(984, 7), (1429, 1)]), 127: (None, [(991, 9), (1428, 1)]), 128: (None, [(1000, 11), (1427, 1)]), 129: (None, [(1011, 7), (1426, 1)]), 130: (None, [(1018, 3), (1425, 1)]), 131: (None, [(1021, 8), (1424, 1)]), 132: (None, [(1029, 11), (1423, 1)]), 133: (None, [(1040, 7), (1422, 1)]), 134: (None, [(1047, 7), (1421, 1)]), 135: (None, [(1054, 6), (1420, 1)]), 136: (None, [(1060, 8), (1419, 1)]), 137: (None, [(1068, 8), (1418, 1)]), 138: (None, [(1076, 7), (1417, 1)]), 139: (None, [(1083, 11), (1416, 1)]), 140: (None, [(1094, 7), (1415, 1)]), 141: (None, [(1101, 4), (1414, 1)]), 142: (None, [(1105, 4), (1413, 1)]), 143: (None, [(1109, 4), (1412, 1)]), 144: (None, [(1113, 8), (1411, 1)]), 145: (None, [(1121, 9), (1410, 1)]), 146: (None, [(1130, 7), (1409, 1)]), 147: (None, [(1137, 6), (1408, 1)]), 148: (None, [(1143, 11), (1407, 1)]), 149: (None, [(1154, 5), (1406, 1)]), 150: (None, [(1159, 3), (1405, 1)]), 151: (None, [(1162, 3), (1404, 1)]), 152: (None, [(1165, 7), (1403, 1)]), 153: (None, [(1172, 7), (1402, 1)]), 154: (None, [(1179, 7), (1401, 1)]), 155: (None, [(1186, 3), (1400, 1)]), 156: (None, [(1189, 8), (1399, 1)]), 157: (None, [(1197, 7), (1398, 1)]), 158: (None, [(1204, 7), (1397, 1)]), 159: (None, [(1211, 3), (1396, 1)]), 160: (None, [(1214, 10), (1395, 1)]), 161: 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16482: [7761], 16483: [7762], 16484: [7763], 16485: [7764], 16486: [7765], 16487: [7766], 16488: [7767], 16489: [7768], 16490: [7769], 16491: [7770], 16492: [7771], 16493: [7772], 16494: [7773], 16495: [7774], 16496: [7775], 16497: [7776], 16498: [7777], 16499: [7778], 16500: [7779], 16501: [7780], 16502: [7781], 16503: [7782], 16504: [7783], 16505: [7784], 16506: [7785], 16507: [7786], 16508: [7787], 16509: [7788], 16510: [7789], 16511: [7790], 16512: [7791], 16513: [7792], 16514: [7793], 16515: [7794], 16516: [7795], 16517: [7796], 16518: [7797], 16519: [7798], 16520: [7799], 16521: [7800], 16522: [7801], 16523: [7802], 16524: [7803], 16525: [7804], 16526: [7805], 16527: [7806], 16528: [7807], 16529: [7808], 16530: [7809], 16531: [7810], 16532: [7811], 16533: [7812], 16534: [7813], 16535: [7814], 16536: [7815], 16537: [7816], 16538: [7817], 16539: [7818], 16540: [7819], 16541: [7820], 16542: [7821], 16543: [7822], 16544: [7823], 16545: [7824], 16546: [7825], 16547: [7826], 16548: 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16615: [7894], 16616: [7895], 16617: [7896], 16618: [7897], 16619: [7898], 16620: [7899], 16621: [7900], 16622: [7901], 16623: [7902], 16624: [7903], 16625: [7904], 16626: [7905], 16627: [7906], 16628: [7907], 16629: [7908], 16630: [7909], 16631: [7910], 16632: [7911], 16633: [7912], 16634: [7913], 16635: [7914], 16636: [7915], 16637: [7916], 16638: [7917], 16639: [7918], 16640: [7919], 16641: [7920], 16642: [7921], 16643: [7922], 16644: [7923], 16645: [7924], 16646: [7925], 16647: [7926], 16648: [7927], 16649: [7928], 16650: [7929], 16651: [7930], 16652: [7931], 16653: [7932], 16654: [7933], 16655: [7934], 16656: [7935], 16657: [7936], 16658: [7937], 16659: [7938], 16660: [7939], 16661: [7940], 16662: [7941], 16663: [7942], 16664: [7943], 16665: [7944], 16666: [7945], 16667: [7946], 16668: [7947], 16669: [7948], 16670: [7949], 16671: [7950], 16672: [7951], 16673: [7952], 16674: [7953], 16675: [7954], 16676: [7955], 16677: [7956], 16678: [7957], 16679: [7958], 16680: [7959], 16681: [7960], 16682: [7961], 16683: [7962], 16684: [7963], 16685: [7964], 16686: [7965], 16687: [7966], 16688: [7967], 16689: [7968], 16690: [7969], 16691: [7970], 16692: [7971], 16693: [7972], 16694: [7973], 16695: [7974], 16696: [7975], 16697: [7976], 16698: [7977], 16699: [7978], 16700: [7979], 16701: [7980], 16702: [7981], 16703: [7982], 16704: [7983], 16705: [7984], 16706: [7985], 16707: [7986], 16708: [7987], 16709: [7988], 16710: [7989], 16711: [7990], 16712: [7991], 16713: [7992], 16714: [7993], 16715: [7994], 16716: [7995], 16717: [7996], 16718: [7997], 16719: [7998], 16720: [7999], 16721: [8000], 16722: [8001], 16723: [8002], 16724: [8003], 16725: [8004], 16726: [8005], 16727: [8006], 16728: [8007], 16729: [8008], 16730: [8009]})]} vrmlInfo = {'subid': (0, None, {}), 'display': (0, None, {}), 'id': (0, None, {}), 'vrmlString': [], 'name': (0, None, {})} colors = {'Ru': ((0.141176, 0.560784, 0.560784), 1, 'default'), 'Ni': ((0.313725, 0.815686, 0.313725), 1, 'default'), 'Re': ((0.14902, 0.490196, 0.670588), 1, 'default'), 'Rf': ((0.8, 0, 0.34902), 1, 'default'), 'Ra': ((0, 0.490196, 0), 1, 'default'), 'Rb': ((0.439216, 0.180392, 0.690196), 1, 'default'), 'Rn': ((0.258824, 0.509804, 0.588235), 1, 'default'), 'Rh': ((0.0392157, 0.490196, 0.54902), 1, 'default'), 'Be': ((0.760784, 1, 0), 1, 'default'), 'Ba': ((0, 0.788235, 0), 1, 'default'), 'Bh': ((0.878431, 0, 0.219608), 1, 'default'), 'Bi': ((0.619608, 0.309804, 0.709804), 1, 'default'), 'Bk': ((0.541176, 0.309804, 0.890196), 1, 'default'), 'Br': ((0.65098, 0.160784, 0.160784), 1, 'default'), '_openColor00': ((1, 1, 1), 1, 'default'), '_openColor01': ((1, 0, 1), 1, 'default'), '_openColor02': ((0, 1, 1), 1, 'default'), '_openColor03': ((1, 1, 0), 1, 'default'), '_openColor04': ((1, 0, 0), 1, 'default'), '_openColor05': ((0, 0, 1), 1, 'default'), '_openColor06': ((0.67, 1, 0), 1, 'default'), '_openColor07': ((0.67, 0, 1), 1, 'default'), '_openColor08': ((0.67, 1, 1), 1, 'default'), 'H': ((1, 1, 1), 1, 'default'), 'P': ((1, 0.501961, 0), 1, 'default'), 'Os': ((0.14902, 0.4, 0.588235), 1, 'default'), 'Ge': ((0.4, 0.560784, 0.560784), 1, 'default'), 'Gd': ((0.270588, 1, 0.780392), 1, 'default'), 'Ga': ((0.760784, 0.560784, 0.560784), 1, 'default'), 'Pr': ((0.85098, 1, 0.780392), 1, 'default'), '_openColor12': ((1, 1, 0.5), 1, 'default'), '_openColor11': ((1, 0.67, 1), 1, 'default'), '_openColor10': ((0, 0.67, 1), 1, 'default'), 'Pt': ((0.815686, 0.815686, 0.878431), 1, 'default'), 'Pu': ((0, 0.419608, 1), 1, 'default'), 'C': ((0.564706, 0.564706, 0.564706), 1, 'default'), 'Pb': ((0.341176, 0.34902, 0.380392), 1, 'default'), 'forest green': ((0.133333, 0.545098, 0.133333), 1, 'default'), 'Pa': ((0, 0.631373, 1), 1, 'default'), 'Pd': ((0, 0.411765, 0.521569), 1, 'default'), 'Xe': ((0.258824, 0.619608, 0.690196), 1, 'default'), 'Po': ((0.670588, 0.360784, 0), 1, 'default'), 'Pm': ((0.639216, 1, 0.780392), 1, 'default'), 'Hs': ((0.901961, 0, 0.180392), 1, 'default'), 'Ho': ((0, 1, 0.611765), 1, 'default'), 'Hf': ((0.301961, 0.760784, 1), 1, 'default'), 'Hg': ((0.721569, 0.721569, 0.815686), 1, 'default'), 'He': ((0.85098, 1, 1), 1, 'default'), 'Md': ((0.701961, 0.0509804, 0.65098), 1, 'default'), 'Mg': ((0.541176, 1, 0), 1, 'default'), 'K': ((0.560784, 0.25098, 0.831373), 1, 'default'), 'Mn': ((0.611765, 0.478431, 0.780392), 1, 'default'), 'O': ((1, 0.0509804, 0.0509804), 1, 'default'), 'Mt': ((0.921569, 0, 0.14902), 1, 'default'), 'S': ((1, 1, 0.188235), 1, 'default'), 'W': ((0.129412, 0.580392, 0.839216), 1, 'default'), 'Zn': ((0.490196, 0.501961, 0.690196), 1, 'default'), 'Eu': ((0.380392, 1, 0.780392), 1, 'default'), 'Zr': ((0.580392, 0.878431, 0.878431), 1, 'default'), 'Er': ((0, 0.901961, 0.458824), 1, 'default'), '_openColor13': ((1, 0, 0.5), 1, 'default'), 'No': ((0.741176, 0.0509804, 0.529412), 1, 'default'), 'Na': ((0.670588, 0.360784, 0.94902), 1, 'default'), 'Nb': ((0.45098, 0.760784, 0.788235), 1, 'default'), 'Nd': ((0.780392, 1, 0.780392), 1, 'default'), 'Ne': ((0.701961, 0.890196, 0.960784), 1, 'default'), 'Np': ((0, 0.501961, 1), 1, 'default'), 'Fr': ((0.258824, 0, 0.4), 1, 'default'), '_openColor15': ((0.67, 0.67, 1), 1, 'default'), '_openColor14': ((0, 1, 0.5), 1, 'default'), 'Fe': ((0.878431, 0.4, 0.2), 1, 'default'), 'Fm': ((0.701961, 0.121569, 0.729412), 1, 'default'), 'B': ((1, 0.709804, 0.709804), 1, 'default'), 'F': ((0.564706, 0.878431, 0.313725), 1, 'default'), 'Sr': ((0, 1, 0), 1, 'default'), 'N': ((0.188235, 0.313725, 0.972549), 1, 'default'), 'Kr': ((0.360784, 0.721569, 0.819608), 1, 'default'), 'Si': ((0.941176, 0.784314, 0.627451), 1, 'default'), 'Sn': ((0.4, 0.501961, 0.501961), 1, 'default'), 'Sm': ((0.560784, 1, 0.780392), 1, 'default'), 'V': ((0.65098, 0.65098, 0.670588), 1, 'default'), 'Sc': ((0.901961, 0.901961, 0.901961), 1, 'default'), 'Sb': ((0.619608, 0.388235, 0.709804), 1, 'default'), 'Sg': ((0.85098, 0, 0.270588), 1, 'default'), 'Se': ((1, 0.631373, 0), 1, 'default'), 'Co': ((0.941176, 0.564706, 0.627451), 1, 'default'), 'Cm': ((0.470588, 0.360784, 0.890196), 1, 'default'), 'Cl': ((0.121569, 0.941176, 0.121569), 1, 'default'), 'Ca': ((0.239216, 1, 0), 1, 'default'), 'Cf': ((0.631373, 0.211765, 0.831373), 1, 'default'), 'Ce': ((1, 1, 0.780392), 1, 'default'), 'Cd': ((1, 0.85098, 0.560784), 1, 'default'), 'Tm': ((0, 0.831373, 0.321569), 1, 'default'), 'Cs': ((0.341176, 0.0901961, 0.560784), 1, 'default'), 'Cr': ((0.541176, 0.6, 0.780392), 1, 'default'), 'Cu': ((0.784314, 0.501961, 0.2), 1, 'default'), 'La': ((0.439216, 0.831373, 1), 1, 'default'), 'Li': ((0.8, 0.501961, 1), 1, 'default'), 'Tl': ((0.65098, 0.329412, 0.301961), 1, 'default'), 'Lu': ((0, 0.670588, 0.141176), 1, 'default'), 'Lr': ((0.780392, 0, 0.4), 1, 'default'), 'Th': ((0, 0.729412, 1), 1, 'default'), 'Ti': ((0.74902, 0.760784, 0.780392), 1, 'default'), 'Te': ((0.831373, 0.478431, 0), 1, 'default'), 'Tb': ((0.188235, 1, 0.780392), 1, 'default'), 'Tc': ((0.231373, 0.619608, 0.619608), 1, 'default'), 'Ta': ((0.301961, 0.65098, 1), 1, 'default'), 'Yb': ((0, 0.74902, 0.219608), 1, 'default'), 'Db': ((0.819608, 0, 0.309804), 1, 'default'), 'Dy': ((0.121569, 1, 0.780392), 1, 'default'), '_openColor09': ((1, 0.67, 0), 1, 'default'), 'At': ((0.458824, 0.309804, 0.270588), 1, 'default'), 'I': ((0.580392, 0, 0.580392), 1, 'default'), 'U': ((0, 0.560784, 1), 1, 'default'), 'Y': ((0.580392, 1, 1), 1, 'default'), 'Ac': ((0.439216, 0.670588, 0.980392), 1, 'default'), 'Ag': ((0.752941, 0.752941, 0.752941), 1, 'default'), 'Ir': ((0.0901961, 0.329412, 0.529412), 1, 'default'), 'Am': ((0.329412, 0.360784, 0.94902), 1, 'default'), 'Al': ((0.74902, 0.65098, 0.65098), 1, 'default'), 'As': ((0.741176, 0.501961, 0.890196), 1, 'default'), 'Ar': ((0.501961, 0.819608, 0.890196), 1, 'default'), 'Au': ((1, 0.819608, 0.137255), 1, 'default'), 'Es': ((0.701961, 0.121569, 0.831373), 1, 'default'), 'In': ((0.65098, 0.458824, 0.45098), 1, 'default'), 'Mo': ((0.329412, 0.709804, 0.709804), 1, 'default')} materials = {'default': ((1, 1, 1), 30)} pbInfo = {'category': ['distance monitor'], 'bondInfo': [{'color': (0, None, {}), 'atoms': [], 'label': (0, None, {}), 'halfbond': (0, None, {}), 'labelColor': (0, None, {}), 'drawMode': (0, None, {}), 'display': (0, None, {})}], 'lineType': (1, 2, {}), 'color': (1, 3, {}), 'showStubBonds': (1, False, {}), 'lineWidth': (1, 1, {}), 'stickScale': (1, 1, {}), 'id': [-2]} modelAssociations = {} colorInfo = {0: ('', (0, 0.0004, 1, 1)), 1: ('', (1, 0.0004, 0, 1)), 2: ('forest green', (0.133333, 0.545098, 0.133333, 1)), 3: ('yellow', (1, 1, 0, 1)), 4: ('N', (0.188235, 0.313725, 0.972549, 1)), 5: ('O', (1, 0.0509804, 0.0509804, 1)), 6: ('', (0.0364679, 0.0364679, 1, 1)), 7: ('', (0.0364679, 0.0364679, 1, 1)), 8: ('', (0.0364679, 0.0364679, 1, 1)), 9: ('', (0.0697731, 0.0697731, 1, 1)), 10: ('', (0.0697726, 0.0697726, 1, 1)), 11: ('', (0.0697731, 0.0697731, 1, 1)), 12: ('', (0.0775671, 0.0775671, 1, 1)), 13: ('', (0.0775667, 0.0775667, 1, 1)), 14: ('', 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1, 1)), 16548: ('', (0.225639, 0.225639, 1, 1)), 16549: ('', (0.250652, 0.250652, 1, 1)), 16550: ('', (0.268126, 0.268126, 1, 1)), 16551: ('', (0.526675, 0.526675, 1, 1)), 16552: ('', (0.526674, 0.526674, 1, 1)), 16553: ('', (0.526674, 0.526674, 1, 1)), 16554: ('', (0.626103, 0.626103, 1, 1)), 16555: ('', (0.626104, 0.626104, 1, 1)), 16556: ('', (0.626103, 0.626103, 1, 1)), 16557: ('', (0.629604, 0.629604, 1, 1)), 16558: ('', (0.629604, 0.629604, 1, 1)), 16559: ('', (0.629604, 0.629604, 1, 1)), 16560: ('', (0.606035, 0.606035, 1, 1)), 16561: ('', (0.606035, 0.606035, 1, 1)), 16562: ('', (0.606035, 0.606035, 1, 1)), 16563: ('', (0.53323, 0.53323, 1, 1)), 16564: ('', (0.53323, 0.53323, 1, 1)), 16565: ('', (0.53323, 0.53323, 1, 1)), 16566: ('', (0.53323, 0.53323, 1, 1)), 16567: ('', (0.53323, 0.53323, 1, 1)), 16568: ('', (0.511663, 0.511663, 1, 1)), 16569: ('', (0.511663, 0.511663, 1, 1)), 16570: ('', (0.511663, 0.511663, 1, 1)), 16571: ('', (0.58285, 0.58285, 1, 1)), 16572: ('', (0.58285, 0.58285, 1, 1)), 16573: ('', (0.58285, 0.58285, 1, 1)), 16574: ('', (0.619886, 0.619886, 1, 1)), 16575: ('', (0.619886, 0.619886, 1, 1)), 16576: ('', (0.619886, 0.619886, 1, 1)), 16577: ('', (0.526674, 0.526674, 1, 1)), 16578: ('', (0.526674, 0.526674, 1, 1)), 16579: ('', (0.626103, 0.626103, 1, 1)), 16580: ('', (0.626103, 0.626103, 1, 1)), 16581: ('', (0.626103, 0.626103, 1, 1)), 16582: ('', (0.629604, 0.629604, 1, 1)), 16583: ('', (0.53323, 0.53323, 1, 1)), 16584: ('', (0.53323, 0.53323, 1, 1)), 16585: ('', (0.53323, 0.53323, 1, 1)), 16586: ('', (0.53323, 0.53323, 1, 1)), 16587: ('', (0.526674, 0.526674, 1, 1)), 16588: ('', (0.526674, 0.526674, 1, 1)), 16589: ('', (0.53323, 0.53323, 1, 1)), 16590: ('', (0.53323, 0.53323, 1, 1)), 16591: ('', (0.511663, 0.511663, 1, 1)), 16592: ('', (0.511663, 0.511663, 1, 1)), 16593: ('', (0.511663, 0.511663, 1, 1)), 16594: ('', (0.511663, 0.511663, 1, 1)), 16595: ('', (0.526674, 0.526674, 1, 1)), 16596: ('', (0.526674, 0.526674, 1, 1)), 16597: ('', (0.511663, 0.511663, 1, 1)), 16598: ('', (0.511663, 0.511663, 1, 1)), 16599: ('', (0.58285, 0.58285, 1, 1)), 16600: ('', (0.58285, 0.58285, 1, 1)), 16601: ('', (0.58285, 0.58285, 1, 1)), 16602: ('', (0.58285, 0.58285, 1, 1)), 16603: ('', (0.626103, 0.626103, 1, 1)), 16604: ('', (0.626103, 0.626103, 1, 1)), 16605: ('', (0.58285, 0.58285, 1, 1)), 16606: ('', (0.58285, 0.58285, 1, 1)), 16607: ('', (0.58285, 0.58285, 1, 1)), 16608: ('', (0.619886, 0.619886, 1, 1)), 16609: ('', (0.619886, 0.619886, 1, 1)), 16610: ('', (0.619886, 0.619886, 1, 1)), 16611: ('', (0.619886, 0.619886, 1, 1)), 16612: ('', (0.629604, 0.629604, 1, 1)), 16613: ('', (0.619886, 0.619886, 1, 1)), 16614: ('', (0.619886, 0.619886, 1, 1)), 16615: ('', (0.606035, 0.606035, 1, 1)), 16616: ('', (0.606035, 0.606035, 1, 1)), 16617: ('', (0.526674, 0.526674, 1, 1)), 16618: ('', (0.526674, 0.526674, 1, 1)), 16619: ('', (0.526674, 0.526674, 1, 1)), 16620: ('', (0.526675, 0.526675, 1, 1)), 16621: ('', (0.626105, 0.626105, 1, 1)), 16622: ('', (0.626103, 0.626103, 1, 1)), 16623: ('', (0.53323, 0.53323, 1, 1)), 16624: ('', (0.53323, 0.53323, 1, 1)), 16625: ('', (0.533229, 0.533229, 1, 1)), 16626: ('', (0.53323, 0.53323, 1, 1)), 16627: ('', (0.533229, 0.533229, 1, 1)), 16628: ('', (0.533229, 0.533229, 1, 1)), 16629: ('', (0.53323, 0.53323, 1, 1)), 16630: ('', (0.53323, 0.53323, 1, 1)), 16631: ('', (0.53323, 0.53323, 1, 1)), 16632: ('', (0.511663, 0.511663, 1, 1)), 16633: ('', (0.511663, 0.511663, 1, 1)), 16634: ('', (0.511663, 0.511663, 1, 1)), 16635: ('', (0.58285, 0.58285, 1, 1)), 16636: ('', (0.58285, 0.58285, 1, 1)), 16637: ('', (0.582849, 0.582849, 1, 1)), 16638: ('', (0.582849, 0.582849, 1, 1)), 16639: ('', (0.58285, 0.58285, 1, 1)), 16640: ('', (0.58285, 0.58285, 1, 1)), 16641: ('', (0.58285, 0.58285, 1, 1)), 16642: ('', (0.58285, 0.58285, 1, 1)), 16643: ('', (0.58285, 0.58285, 1, 1)), 16644: ('', (0.582849, 0.582849, 1, 1)), 16645: ('', (0.582849, 0.582849, 1, 1)), 16646: ('', (0.58285, 0.58285, 1, 1)), 16647: ('', (0.619886, 0.619886, 1, 1)), 16648: ('', (0.619886, 0.619886, 1, 1)), 16649: ('', (0.619886, 0.619886, 1, 1)), 16650: ('', (0.619886, 0.619886, 1, 1)), 16651: ('', (1, 0.96276, 0.96276, 1)), 16652: ('', (1, 0.962761, 0.962761, 1)), 16653: ('', (1, 0.962761, 0.962761, 1)), 16654: ('', (1, 0.960542, 0.960542, 1)), 16655: ('', (1, 0.960542, 0.960542, 1)), 16656: ('', (1, 0.960542, 0.960542, 1)), 16657: ('', (0.904776, 0.904776, 1, 1)), 16658: ('', (0.904776, 0.904776, 1, 1)), 16659: ('', (0.904776, 0.904776, 1, 1)), 16660: ('', (0.860098, 0.860098, 1, 1)), 16661: ('', (0.860098, 0.860098, 1, 1)), 16662: ('', (0.860098, 0.860098, 1, 1)), 16663: ('', (1, 0.981083, 0.981083, 1)), 16664: ('', (1, 0.981083, 0.981083, 1)), 16665: ('', (1, 0.981083, 0.981083, 1)), 16666: ('', (1, 0.925357, 0.925357, 1)), 16667: ('', (1, 0.925357, 0.925357, 1)), 16668: ('', (1, 0.925357, 0.925357, 1)), 16669: ('', (1, 0.925357, 0.925357, 1)), 16670: ('', (1, 0.925357, 0.925357, 1)), 16671: ('', (1, 0.910055, 0.910055, 1)), 16672: ('', (1, 0.910055, 0.910055, 1)), 16673: ('', (1, 0.910055, 0.910055, 1)), 16674: ('', (1, 0.910055, 0.910055, 1)), 16675: ('', (1, 0.910054, 0.910054, 1)), 16676: ('', (0.990981, 0.990981, 1, 1)), 16677: ('', (0.990981, 0.990981, 1, 1)), 16678: ('', (0.990981, 0.990981, 1, 1)), 16679: ('', (0.990981, 0.990981, 1, 1)), 16680: ('', (0.990981, 0.990981, 1, 1)), 16681: ('', (1, 0.96276, 0.96276, 1)), 16682: ('', (1, 0.960542, 0.960542, 1)), 16683: ('', (1, 0.960542, 0.960542, 1)), 16684: ('', (0.904776, 0.904776, 1, 1)), 16685: ('', (0.904776, 0.904776, 1, 1)), 16686: ('', (0.904776, 0.904776, 1, 1)), 16687: ('', (0.860098, 0.860098, 1, 1)), 16688: ('', (0.860098, 0.860098, 1, 1)), 16689: ('', (0.860098, 0.860098, 1, 1)), 16690: ('', (0.860098, 0.860098, 1, 1)), 16691: ('', (1, 0.981083, 0.981083, 1)), 16692: ('', (1, 0.981083, 0.981083, 1)), 16693: ('', (1, 0.925357, 0.925357, 1)), 16694: ('', (1, 0.925357, 0.925357, 1)), 16695: ('', (1, 0.925357, 0.925357, 1)), 16696: ('', (1, 0.925357, 0.925357, 1)), 16697: ('', (1, 0.962761, 0.962761, 1)), 16698: ('', (1, 0.962761, 0.962761, 1)), 16699: ('', (1, 0.925356, 0.925356, 1)), 16700: ('', (1, 0.910055, 0.910055, 1)), 16701: ('', (0.990981, 0.990981, 1, 1)), 16702: ('', (0.990982, 0.990982, 1, 1)), 16703: ('', (0.860098, 0.860098, 1, 1)), 16704: ('', (0.860098, 0.860098, 1, 1)), 16705: ('', (0.990982, 0.990982, 1, 1)), 16706: ('', (1, 0.981083, 0.981083, 1)), 16707: ('', (1, 0.960542, 0.960542, 1)), 16708: ('', (1, 0.960542, 0.960542, 1)), 16709: ('', (0.860096, 0.860096, 1, 1)), 16710: ('', (0.860096, 0.860096, 1, 1)), 16711: ('', (0.860097, 0.860097, 1, 1)), 16712: ('', (0.860097, 0.860097, 1, 1)), 16713: ('', (0.860097, 0.860097, 1, 1)), 16714: ('', (0.860098, 0.860098, 1, 1)), 16715: ('', (0.860098, 0.860098, 1, 1)), 16716: ('', (1, 0.981083, 0.981083, 1)), 16717: ('', (1, 0.981083, 0.981083, 1)), 16718: ('', (1, 0.981083, 0.981083, 1)), 16719: ('', (1, 0.981083, 0.981083, 1)), 16720: ('', (1, 0.925356, 0.925356, 1)), 16721: ('', (1, 0.925357, 0.925357, 1)), 16722: ('', (1, 0.925357, 0.925357, 1)), 16723: ('', (1, 0.910054, 0.910054, 1)), 16724: ('', (1, 0.910055, 0.910055, 1)), 16725: ('', (1, 0.910054, 0.910054, 1)), 16726: ('', (1, 0.910054, 0.910054, 1)), 16727: ('', (0.990981, 0.990981, 1, 1)), 16728: ('', (0.990981, 0.990981, 1, 1)), 16729: ('', (0.990982, 0.990982, 1, 1)), 16730: ('', (0.990981, 0.990981, 1, 1)), 16731: ('white', (1, 1, 1, 1)), 16732: ('green', (0, 1, 0, 1))} viewerInfo = {'cameraAttrs': {'center': (-11.0065, 1.051, -3.663), 'fieldOfView': 16.8759, 'nearFar': (63.2403, -29.8429), 'ortho': False, 'eyeSeparation': 50.8, 'focal': -3.663}, 'viewerAttrs': {'silhouetteColor': None, 'clipping': False, 'showSilhouette': False, 'viewSize': 28.1229, 'scaleFactor': 0.618849, 'depthCueRange': (0.5, 1), 'silhouetteWidth': 1, 'depthCue': True, 'highlight': 0, 'lensBorder': True}, 'viewerHL': 16732, 'cameraMode': 'mono', 'detail': 1, 'viewerFog': None, 'viewerBG': 16731, 'viewerLB': 16732} replyobj.status("Initializing session restore...", blankAfter=0) init(colorInfo) replyobj.status("Restoring colors...", blankAfter=0) restoreColors(colors, materials) replyobj.status("Restoring molecules...", blankAfter=0) restoreMolecules(molInfo, resInfo, atomInfo, bondInfo, crdInfo) replyobj.status("Restoring surfaces...", blankAfter=0) restoreSurfaces(surfInfo) replyobj.status("Restoring VRML models...", blankAfter=0) restoreVRML(vrmlInfo) replyobj.status("Restoring pseudobond groups...", blankAfter=0) restorePseudoBondGroups(pbInfo) replyobj.status("Restoring model associations...", blankAfter=0) restoreModelAssociations(modelAssociations) replyobj.status("Restoring camera...", blankAfter=0) restoreViewer(viewerInfo) try: restoreCoreModels() except: reportRestoreError("Error restoring core models") replyobj.status("Restoring extension info...", blankAfter=0) def restore_surface_color_mapping(): try: surface_color_state = \ { 'class': 'Surface_Colorings_State', 'coloring_table': {}, 'geometry': None, 'is_visible': False, 'version': 2, } import SurfaceColor.session SurfaceColor.session.restore_surface_color_state(surface_color_state) except: reportRestoreError('Error restoring surface color mapping') registerAfterModelsCB(restore_surface_color_mapping) try: seqInfo = [ {'name': '3eqs, chain A', 'sequence': ['T', 'L', 'V', 'R', 'P', 'K', 'P', 'L', 'L', 'L', 'K', 'L', 'L', 'K', 'S', 'V', 'G', 'A', 'Q', 'K', 'D', 'T', 'Y', 'T', 'M', 'K', 'E', 'V', 'L', 'F', 'Y', 'L', 'G', 'Q', 'Y', 'I', 'M', 'T', 'K', 'R', 'L', 'Y', 'D', 'E', 'K', 'Q', 'Q', 'H', 'I', 'V', 'Y', 'C', 'S', 'N', 'D', 'L', 'L', 'G', 'D', 'L', 'F', 'G', 'V', 'P', 'S', 'F', 'S', 'V', 'K', 'E', 'H', 'R', 'K', 'I', 'Y', 'T', 'M', 'I', 'Y', 'R', 'N', 'L', 'V', 'V'], 'numberingStart': 26, 'molecule': 0, 'residues': [2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85], 'markups': {}, 'attrs': {}, 'resMap': {2: 0, 3: 1, 4: 2, 5: 3, 6: 4, 7: 5, 8: 6, 9: 7, 10: 8, 11: 9, 12: 10, 13: 11, 14: 12, 15: 13, 16: 14, 17: 15, 18: 16, 19: 17, 20: 18, 21: 19, 22: 20, 23: 21, 24: 22, 25: 23, 26: 24, 27: 25, 28: 26, 29: 27, 30: 28, 31: 29, 32: 30, 33: 31, 34: 32, 35: 33, 36: 34, 37: 35, 38: 36, 39: 37, 40: 38, 41: 39, 42: 40, 43: 41, 44: 42, 45: 43, 46: 44, 47: 45, 48: 46, 49: 47, 50: 48, 51: 49, 52: 50, 53: 51, 54: 52, 55: 53, 56: 54, 57: 55, 58: 56, 59: 57, 60: 58, 61: 59, 62: 60, 63: 61, 64: 62, 65: 63, 66: 64, 67: 65, 68: 66, 69: 67, 70: 68, 71: 69, 72: 70, 73: 71, 74: 72, 75: 73, 76: 74, 77: 75, 78: 76, 79: 77, 80: 78, 81: 79, 82: 80, 83: 81, 84: 82, 85: 83}} , {'name': '3eqy, chain A', 'sequence': ['N', 'Q', 'V', 'R', 'P', 'K', 'L', 'P', 'L', 'L', 'K', 'I', 'L', 'H', 'A', 'A', 'G', 'A', 'Q', 'G', 'E', 'M', 'F', 'T', 'V', 'K', 'E', 'V', 'M', 'H', 'Y', 'L', 'G', 'Q', 'Y', 'I', 'M', 'V', 'K', 'Q', 'L', 'Y', 'D', 'A', 'A', 'A', 'Q', 'H', 'M', 'V', 'Y', 'C', 'G', 'G', 'D', 'L', 'L', 'G', 'E', 'L', 'L', 'G', 'R', 'Q', 'S', 'F', 'S', 'V', 'K', 'D', 'P', 'S', 'P', 'L', 'Y', 'D', 'M', 'L', 'R', 'K', 'N', 'L', 'V', 'T'], 'numberingStart': 25, 'molecule': 1, 'residues': [98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181], 'markups': {}, 'attrs': {}, 'resMap': {128: 30, 129: 31, 130: 32, 131: 33, 132: 34, 133: 35, 134: 36, 135: 37, 136: 38, 137: 39, 138: 40, 139: 41, 140: 42, 141: 43, 142: 44, 143: 45, 144: 46, 145: 47, 146: 48, 147: 49, 148: 50, 149: 51, 150: 52, 151: 53, 152: 54, 153: 55, 154: 56, 155: 57, 156: 58, 157: 59, 158: 60, 159: 61, 160: 62, 161: 63, 162: 64, 163: 65, 164: 66, 165: 67, 166: 68, 167: 69, 168: 70, 169: 71, 170: 72, 171: 73, 172: 74, 173: 75, 174: 76, 175: 77, 176: 78, 177: 79, 178: 80, 179: 81, 180: 82, 181: 83, 98: 0, 99: 1, 100: 2, 101: 3, 102: 4, 103: 5, 104: 6, 105: 7, 106: 8, 107: 9, 108: 10, 109: 11, 110: 12, 111: 13, 112: 14, 113: 15, 114: 16, 115: 17, 116: 18, 117: 19, 118: 20, 119: 21, 120: 22, 121: 23, 122: 24, 123: 25, 124: 26, 125: 27, 126: 28, 127: 29}} , ] from chimera.Sequence import restoreSequence seqs = [restoreSequence(s) for s in seqInfo] from MultAlignViewer.MAViewer import restoreMAV registerAfterModelsCB(lambda rm=restoreMAV, s=seqs: rm(s, {'associations': [(0, 0), (1, 1)], 'specials': [{'class': 'ChargeSeq', 'name': 'Charge variation'}, {'class': 'DistanceSeq', 'name': 'RMSD'}], 'region associations': {}, 'ruler shown': 1, 'title': 'MultAlignViewer', 'fileMarkups': {}, 'numberingsStripped': False, 'fileAttrs': {}, 'regions': [{'shown': True, 'blocks': [], 'outline': None, 'coverGaps': False, 'fill': [0, 1, 0], 'select': False, 'name': 'Chimera selection'}, {'shown': True, 'blocks': [[0, 1, 1, 69], [0, 1, 72, 80]], 'outline': [1, 0.270588, 0], 'coverGaps': True, 'fill': (1, 0.88, 0.8), 'select': False, 'name': 'matched residues'}], 'mseqs': [{'name': 'chain A', 'sequence': ['T', 'L', 'V', 'R', 'P', 'K', 'P', 'L', 'L', 'L', 'K', 'L', 'L', 'K', 'S', 'V', 'G', 'A', 'Q', 'K', 'D', 'T', 'Y', 'T', 'M', 'K', 'E', 'V', 'L', 'F', 'Y', 'L', 'G', 'Q', 'Y', 'I', 'M', 'T', 'K', 'R', 'L', 'Y', 'D', 'E', 'K', 'Q', 'Q', 'H', 'I', 'V', 'Y', 'C', 'S', 'N', 'D', 'L', 'L', 'G', 'D', 'L', 'F', 'G', 'V', 'P', 'S', 'F', 'S', 'V', 'K', 'E', 'H', 'R', 'K', 'I', 'Y', 'T', 'M', 'I', 'Y', 'R', 'N', 'L', 'V', 'V'], 'numberingStart': 26, 'molecule': 0, 'residues': [2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85], 'markups': {}, 'attrs': {}, 'resMap': {2: 0, 3: 1, 4: 2, 5: 3, 6: 4, 7: 5, 8: 6, 9: 7, 10: 8, 11: 9, 12: 10, 13: 11, 14: 12, 15: 13, 16: 14, 17: 15, 18: 16, 19: 17, 20: 18, 21: 19, 22: 20, 23: 21, 24: 22, 25: 23, 26: 24, 27: 25, 28: 26, 29: 27, 30: 28, 31: 29, 32: 30, 33: 31, 34: 32, 35: 33, 36: 34, 37: 35, 38: 36, 39: 37, 40: 38, 41: 39, 42: 40, 43: 41, 44: 42, 45: 43, 46: 44, 47: 45, 48: 46, 49: 47, 50: 48, 51: 49, 52: 50, 53: 51, 54: 52, 55: 53, 56: 54, 57: 55, 58: 56, 59: 57, 60: 58, 61: 59, 62: 60, 63: 61, 64: 62, 65: 63, 66: 64, 67: 65, 68: 66, 69: 67, 70: 68, 71: 69, 72: 70, 73: 71, 74: 72, 75: 73, 76: 74, 77: 75, 78: 76, 79: 77, 80: 78, 81: 79, 82: 80, 83: 81, 84: 82, 85: 83}}, {'name': 'chain A', 'sequence': ['N', 'Q', 'V', 'R', 'P', 'K', 'L', 'P', 'L', 'L', 'K', 'I', 'L', 'H', 'A', 'A', 'G', 'A', 'Q', 'G', 'E', 'M', 'F', 'T', 'V', 'K', 'E', 'V', 'M', 'H', 'Y', 'L', 'G', 'Q', 'Y', 'I', 'M', 'V', 'K', 'Q', 'L', 'Y', 'D', 'A', 'A', 'A', 'Q', 'H', 'M', 'V', 'Y', 'C', 'G', 'G', 'D', 'L', 'L', 'G', 'E', 'L', 'L', 'G', 'R', 'Q', 'S', 'F', 'S', 'V', 'K', 'D', 'P', 'S', 'P', 'L', 'Y', 'D', 'M', 'L', 'R', 'K', 'N', 'L', 'V', 'T'], 'numberingStart': 25, 'molecule': 1, 'residues': [98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181], 'markups': {}, 'attrs': {}, 'resMap': {128: 30, 129: 31, 130: 32, 131: 33, 132: 34, 133: 35, 134: 36, 135: 37, 136: 38, 137: 39, 138: 40, 139: 41, 140: 42, 141: 43, 142: 44, 143: 45, 144: 46, 145: 47, 146: 48, 147: 49, 148: 50, 149: 51, 150: 52, 151: 53, 152: 54, 153: 55, 154: 56, 155: 57, 156: 58, 157: 59, 158: 60, 159: 61, 160: 62, 161: 63, 162: 64, 163: 65, 164: 66, 165: 67, 166: 68, 167: 69, 168: 70, 169: 71, 170: 72, 171: 73, 172: 74, 173: 75, 174: 76, 175: 77, 176: 78, 177: 79, 178: 80, 179: 81, 180: 82, 181: 83, 98: 0, 99: 1, 100: 2, 101: 3, 102: 4, 103: 5, 104: 6, 105: 7, 106: 8, 107: 9, 108: 10, 109: 11, 110: 12, 111: 13, 112: 14, 113: 15, 114: 16, 115: 17, 116: 18, 117: 19, 118: 20, 119: 21, 120: 22, 121: 23, 122: 24, 123: 25, 124: 26, 125: 27, 126: 28, 127: 29}}], 'numberings': (1, 0), 'header shown': [False, False, False, True], 'autoAssociate': True})) del seqInfo, restoreSequence, s, seqs, restoreMAV except: reportRestoreError('Error restoring MultAlignViewer instance MultAlignViewer in session') def restoreLightController(): import Lighting c = Lighting.get().setFromParams({'quality': 'glossy', 'shininess': (30.0, (1.0, 1.0, 1.0), 1.0), 'key': (True, (1.0, 1.0, 1.0), 0.65327227115631104, (1.0, 1.0, 1.0), 1.0, (-0.35740674433659325, 0.66040155174814541, 0.66040155174814552)), 'fill': (True, (1.0, 1.0, 1.0), 0.49998998641967773, (1.0, 1.0, 1.0), 0.0, (0.25056280708573153, 0.25056280708573153, 0.93511312653102929))}) try: restoreLightController() except: reportRestoreError("Error restoring lighting parameters") def restoreSession_RibbonStyleEditor(): import SimpleSession import RibbonStyleEditor userScalings = [] userXSections = [] userResidueClasses = [] residueData = [(2, 'Chimera default', 'rounded', 'amino acid'), (3, 'Chimera default', 'rounded', 'amino acid'), (4, 'Chimera default', 'rounded', 'amino acid'), (5, 'Chimera default', 'rounded', 'amino acid'), (6, 'Chimera default', 'rounded', 'amino acid'), (7, 'Chimera default', 'rounded', 'amino acid'), (8, 'Chimera default', 'rounded', 'amino acid'), (9, 'Chimera default', 'rounded', 'amino acid'), (10, 'Chimera default', 'rounded', 'amino acid'), (11, 'Chimera default', 'rounded', 'amino acid'), (12, 'Chimera default', 'rounded', 'amino acid'), (13, 'Chimera default', 'rounded', 'amino acid'), (14, 'Chimera default', 'rounded', 'amino acid'), (15, 'Chimera default', 'rounded', 'amino acid'), (16, 'Chimera default', 'rounded', 'amino acid'), (17, 'Chimera default', 'rounded', 'amino acid'), (18, 'Chimera default', 'rounded', 'amino acid'), (19, 'Chimera default', 'rounded', 'amino acid'), (20, 'Chimera default', 'rounded', 'amino acid'), (21, 'Chimera default', 'rounded', 'amino acid'), (22, 'Chimera default', 'rounded', 'amino acid'), (23, 'Chimera default', 'rounded', 'amino acid'), (24, 'Chimera default', 'rounded', 'amino acid'), (25, 'Chimera default', 'rounded', 'amino acid'), (26, 'Chimera default', 'rounded', 'amino acid'), (27, 'Chimera default', 'rounded', 'amino acid'), (28, 'Chimera default', 'rounded', 'amino acid'), (29, 'Chimera default', 'rounded', 'amino acid'), (30, 'Chimera default', 'rounded', 'amino acid'), (31, 'Chimera default', 'rounded', 'amino acid'), (32, 'Chimera default', 'rounded', 'amino acid'), (33, 'Chimera default', 'rounded', 'amino acid'), (34, 'Chimera default', 'rounded', 'amino acid'), (35, 'Chimera default', 'rounded', 'amino acid'), (36, 'Chimera default', 'rounded', 'amino acid'), (37, 'Chimera default', 'rounded', 'amino acid'), (38, 'Chimera default', 'rounded', 'amino acid'), (39, 'Chimera default', 'rounded', 'amino acid'), (40, 'Chimera default', 'rounded', 'amino acid'), (41, 'Chimera default', 'rounded', 'amino acid'), (42, 'Chimera default', 'rounded', 'amino acid'), (43, 'Chimera default', 'rounded', 'amino acid'), (44, 'Chimera default', 'rounded', 'amino acid'), (45, 'Chimera default', 'rounded', 'amino acid'), (46, 'Chimera default', 'rounded', 'amino acid'), (47, 'Chimera default', 'rounded', 'amino acid'), (48, 'Chimera default', 'rounded', 'amino acid'), (49, 'Chimera default', 'rounded', 'amino acid'), (50, 'Chimera default', 'rounded', 'amino acid'), (51, 'Chimera default', 'rounded', 'amino acid'), (52, 'Chimera default', 'rounded', 'amino acid'), (53, 'Chimera default', 'rounded', 'amino acid'), (54, 'Chimera default', 'rounded', 'amino acid'), (55, 'Chimera default', 'rounded', 'amino acid'), (56, 'Chimera default', 'rounded', 'amino acid'), (57, 'Chimera default', 'rounded', 'amino acid'), (58, 'Chimera default', 'rounded', 'amino acid'), (59, 'Chimera default', 'rounded', 'amino acid'), (60, 'Chimera default', 'rounded', 'amino acid'), (61, 'Chimera default', 'rounded', 'amino acid'), (62, 'Chimera default', 'rounded', 'amino acid'), (63, 'Chimera default', 'rounded', 'amino acid'), (64, 'Chimera default', 'rounded', 'amino acid'), (65, 'Chimera default', 'rounded', 'amino acid'), (66, 'Chimera default', 'rounded', 'amino acid'), (67, 'Chimera default', 'rounded', 'amino acid'), (68, 'Chimera default', 'rounded', 'amino acid'), (69, 'Chimera default', 'rounded', 'amino acid'), (70, 'Chimera default', 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'rounded', 'amino acid'), (91, 'Chimera default', 'rounded', 'amino acid'), (92, 'Chimera default', 'rounded', 'amino acid'), (93, 'Chimera default', 'rounded', 'amino acid'), (94, 'Chimera default', 'rounded', 'amino acid'), (95, 'Chimera default', 'rounded', 'amino acid'), (96, 'Chimera default', 'rounded', 'amino acid'), (97, 'Chimera default', 'rounded', 'nucleic acid rotated'), (98, 'Chimera default', 'rounded', 'amino acid'), (99, 'Chimera default', 'rounded', 'amino acid'), (100, 'Chimera default', 'rounded', 'amino acid'), (101, 'Chimera default', 'rounded', 'amino acid'), (102, 'Chimera default', 'rounded', 'amino acid'), (103, 'Chimera default', 'rounded', 'amino acid'), (104, 'Chimera default', 'rounded', 'amino acid'), (105, 'Chimera default', 'rounded', 'amino acid'), (106, 'Chimera default', 'rounded', 'amino acid'), (107, 'Chimera default', 'rounded', 'amino acid'), (108, 'Chimera default', 'rounded', 'amino acid'), (109, 'Chimera default', 'rounded', 'amino acid'), 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'Chimera default', 'rounded', 'amino acid'), (150, 'Chimera default', 'rounded', 'amino acid'), (151, 'Chimera default', 'rounded', 'amino acid'), (152, 'Chimera default', 'rounded', 'amino acid'), (153, 'Chimera default', 'rounded', 'amino acid'), (154, 'Chimera default', 'rounded', 'amino acid'), (155, 'Chimera default', 'rounded', 'amino acid'), (156, 'Chimera default', 'rounded', 'amino acid'), (157, 'Chimera default', 'rounded', 'amino acid'), (158, 'Chimera default', 'rounded', 'amino acid'), (159, 'Chimera default', 'rounded', 'amino acid'), (160, 'Chimera default', 'rounded', 'amino acid'), (161, 'Chimera default', 'rounded', 'amino acid'), (162, 'Chimera default', 'rounded', 'amino acid'), (163, 'Chimera default', 'rounded', 'amino acid'), (164, 'Chimera default', 'rounded', 'amino acid'), (165, 'Chimera default', 'rounded', 'amino acid'), (166, 'Chimera default', 'rounded', 'amino acid'), (167, 'Chimera default', 'rounded', 'amino acid'), (168, 'Chimera default', 'rounded', 'amino acid'), (169, 'Chimera default', 'rounded', 'amino acid'), (170, 'Chimera default', 'rounded', 'amino acid'), (171, 'Chimera default', 'rounded', 'amino acid'), (172, 'Chimera default', 'rounded', 'amino acid'), (173, 'Chimera default', 'rounded', 'amino acid'), (174, 'Chimera default', 'rounded', 'amino acid'), (175, 'Chimera default', 'rounded', 'amino acid'), (176, 'Chimera default', 'rounded', 'amino acid'), (177, 'Chimera default', 'rounded', 'amino acid'), (178, 'Chimera default', 'rounded', 'amino acid'), (179, 'Chimera default', 'rounded', 'amino acid'), (180, 'Chimera default', 'rounded', 'amino acid'), (181, 'Chimera default', 'rounded', 'amino acid'), (182, 'Chimera default', 'rounded', 'amino acid'), (183, 'Chimera default', 'rounded', 'amino acid'), (184, 'Chimera default', 'rounded', 'amino acid'), (185, 'Chimera default', 'rounded', 'amino acid'), (186, 'Chimera default', 'rounded', 'amino acid'), (187, 'Chimera default', 'rounded', 'amino acid'), (188, 'Chimera default', 'rounded', 'amino acid'), (189, 'Chimera default', 'rounded', 'amino acid'), (190, 'Chimera default', 'rounded', 'amino acid'), (191, 'Chimera default', 'rounded', 'amino acid'), (192, 'Chimera default', 'rounded', 'amino acid'), (193, 'Chimera default', 'rounded', 'amino acid'), (194, 'Chimera default', 'rounded', 'nucleic acid rotated'), (195, 'Chimera default', 'rounded', 'nucleic acid rotated'), (196, 'Chimera default', 'rounded', 'nucleic acid rotated')] SimpleSession.registerAfterModelsCB(RibbonStyleEditor.restoreState, (userScalings, userXSections, userResidueClasses, residueData)) try: restoreSession_RibbonStyleEditor() except: reportRestoreError("Error restoring RibbonStyleEditor state") def restoreMidasText(): from Midas import midas_text midas_text.aliases = {} midas_text.userSurfCategories = {'pmi2': 1, 'pmi': 1} try: restoreMidasText() except: reportRestoreError('Error restoring Midas text state') def restoreMidasBase(): import chimera from SimpleSession import modelMap, modelOffset def deformatPosition(pos): xfDict = {} for molId, xfData in pos[5].items(): mid, subid = molId trData, rotData = xfData xf = chimera.Xform.translation(*trData) xf.rotate(*rotData) xfDict[(mid+modelOffset, subid)] = xf try: from chimera.misc import KludgeWeakWrappyDict clipDict = KludgeWeakWrappyDict("Model") except ImportError: from weakref import WeakKeyDictionary clipDict = WeakKeyDictionary() for clipID, clipInfo in pos[6].items(): mid, subid, className = clipID models = [m for m in modelMap.get((mid, subid), []) if m.__class__.__name__ == className] if not models: continue useClip, ox, oy, oz, nx, ny, nz, useThick, thickness = clipInfo if useClip: origin = chimera.Point(ox, oy, oz) normal = chimera.Vector(nx, ny, nz) plane = chimera.Plane(origin, normal) else: plane = chimera.Plane() for m in models: clipDict[m] = (useClip, plane, useThick, thickness) return pos[:5] + (xfDict, clipDict) + pos[7:] formattedPositions = {} positions = {} for name, fpos in formattedPositions.items(): positions[name] = deformatPosition(fpos) import Midas if modelOffset > 0: Midas.positions.clear() Midas.positions.update(positions) positionStack = [] Midas._positionStack = map(deformatPosition, positionStack) def delayedMidasBase(): try: restoreMidasBase() except: reportRestoreError('Error restoring Midas base state') import SimpleSession SimpleSession.registerAfterModelsCB(delayedMidasBase) try: import StructMeasure from StructMeasure.DistMonitor import restoreDistances registerAfterModelsCB(restoreDistances, 1) except: reportRestoreError("Error restoring distances in session") def restoreRemainder(): from SimpleSession.versions.v40 import restoreWindowSize, \ restoreOpenStates, restoreSelections, restoreFontInfo, \ restoreOpenModelsAttrs, restoreModelClip curSelIds = [] savedSels = [] openModelsAttrs = { 'cofrMethod': 4 } windowSize = (657, 387) xformMap = {0: (((0.142479, -0.450117, 0.88153), 134.998), (-37.4138, 2.83077, 24.0565), True), 1: (((0.918101, 0.304882, 0.253254), 43.869), (20.239, -7.28611, -0.952829), True)} fontInfo = {'face': ('Sans Serif', 'Normal', 16)} clipPlaneInfo = {} replyobj.status("Restoring window...", blankAfter=0) restoreWindowSize(windowSize) replyobj.status("Restoring open states...", blankAfter=0) restoreOpenStates(xformMap) replyobj.status("Restoring font info...", blankAfter=0) restoreFontInfo(fontInfo) replyobj.status("Restoring selections...", blankAfter=0) restoreSelections(curSelIds, savedSels) replyobj.status("Restoring openModel attributes...", blankAfter=0) restoreOpenModelsAttrs(openModelsAttrs) replyobj.status("Restoring model clipping...", blankAfter=0) restoreModelClip(clipPlaneInfo) replyobj.status("Restoring remaining extension info...", blankAfter=0) try: restoreRemainder() except: reportRestoreError("Error restoring post-model state") from SimpleSession.versions.v40 import makeAfterModelsCBs makeAfterModelsCBs() from SimpleSession.versions.v40 import endRestore replyobj.status('Finishing restore...', blankAfter=0) endRestore() replyobj.status('Restore finished.')