K2 Version rel-0-8 Build 350 BuildDate Apr 24 2003 BuildTime 07:01:06 sequential 1 backbone 5.00 minrounds 0 maxrounds 2000 otherpoint 1 mutationrate 0.05 swaprate 0.05 hoprate 0.05 backbone 5.00 max h d 5.00 max s d 4.29 maxangle 35.0 neighbor 10.00 file1 pdb1qq5.ent file2 pdb3chy.ent SSE pdb1qq5.ent H 15 E 6 pdb3chy.ent H 5 E 5 seed 1115415870 alignments 0 SIMULATED ANNEALING 28 BEST 73.3495 BEST 66.0481 BEST 73.3495 BEST 68.6292 BEST 73.3495 alignments 5 rms fit round 0 matches 28 rmsd 1.78 rms fit round 1 matches 37 rmsd 1.77 rms fit round 2 matches 39 rmsd 1.78 final rmsd 1.78 final matches 39 final score 127.9 ss pair 0000 0000 8 ss pair 0000 0105 1 ss pair 0107 0101 4 ss pair 0108 0102 4 ss pair 0110 0103 5 ss pair 0111 0104 5 ss pair 0112 0105 3 ss pair 2600 0000 1 ss pair 2700 0000 1 ss pair 2700 0400 7 aligned h1 1 aligned h2 1 total aligned h 1 aligned s1 5 aligned s2 5 total aligned s 5 pvalue 2.61e-02 ------ protein 1 ------- ------ protein2 ------- |non-aligned | aligned | aligned |non-aligned | SS1 | SS2 | ----------------------------------------------------------------- MET A 1 ALA 2 ILE A 2 ASP 3 LYS 4 GLU 5 LEU 6 LYS A 3 LYS 7 ALA A 4 PHE 8 E 0107 E 0101 VAL A 5 LEU 9 E 0107 E 0101 VAL A 6 VAL 10 E 0107 E 0101 PHE A 7 VAL 11 E 0107 E 0101 ASP A 8 ASP 12 ALA A 9 ASP 13 TYR A 10 PHE 14 GLY A 11 SER 15 H 0200 THR A 12 THR 16 H 0200 LEU A 13 MET 17 H 0200 PHE A 14 ARG 18 H 0200 ASP A 15 ARG 19 H 0200 VAL A 16 ILE 20 H 0200 GLN A 17 VAL 21 H 0200 SER A 18 ARG 22 H 0200 VAL A 19 ASN 23 H 1700 H 0200 ALA A 20 LEU 24 H 1700 H 0200 ASP A 21 LEU 25 H 1700 H 0200 ALA A 22 LYS 26 H 1700 H 0200 THR A 23 GLU 27 H 1700 H 0200 GLU A 24 LEU 28 H 1700 H 0200 ARG A 25 GLY 29 H 1700 ALA A 26 PHE 30 H 1700 TYR A 27 PRO A 28 GLY A 29 ARG A 30 H 1800 GLY A 31 H 1800 GLU A 32 H 1800 TYR A 33 H 1800 ILE A 34 H 1800 THR A 35 H 1800 GLN A 36 H 1800 VAL A 37 H 1800 TRP A 38 H 1800 ARG A 39 H 1800 GLN A 40 H 1800 LYS A 41 H 1800 GLN A 42 H 1800 LEU A 43 H 1800 GLU A 44 H 1800 TYR A 45 H 1800 SER A 46 H 1800 TRP A 47 H 1800 LEU A 48 H 1800 ARG A 49 H 1800 ALA A 50 H 1800 LEU A 51 H 1800 MET A 52 H 1800 GLY A 53 ARG A 54 TYR A 55 ALA A 56 ASP A 57 PHE A 58 H 1900 TRP A 59 H 1900 SER A 60 H 1900 VAL A 61 H 1900 THR A 62 H 1900 ARG A 63 H 1900 GLU A 64 H 1900 ALA A 65 H 1900 LEU A 66 H 1900 ALA A 67 H 1900 TYR A 68 H 1900 THR A 69 H 1900 LEU A 70 H 1900 GLY A 71 H 1900 THR A 72 H 1900 LEU A 73 H 1900 GLY A 74 LEU A 75 GLU A 76 PRO A 77 ASP A 78 GLU A 79 H 2000 SER A 80 H 2000 PHE A 81 H 2000 LEU A 82 H 2000 ALA A 83 H 2000 ASP A 84 H 2000 MET A 85 H 2000 ALA A 86 H 2000 GLN A 87 H 2100 ALA A 88 H 2100 TYR A 89 H 2100 ASN A 90 H 2100 ARG A 91 LEU A 92 THR A 93 PRO A 94 TYR A 95 PRO A 96 ASP A 97 H 2200 ALA A 98 H 2200 ALA A 99 H 2200 GLN A 100 H 2200 CYS A 101 H 2200 LEU A 102 H 2200 ALA A 103 H 2200 GLU A 104 H 2200 LEU A 105 H 2200 ALA A 106 PRO A 107 ASN 31 LEU A 108 ASN 32 LYS A 109 VAL 33 E 0108 E 0102 ARG A 110 GLU 34 E 0108 E 0102 ALA A 111 GLU 35 E 0108 E 0102 ILE A 112 ALA 36 E 0108 E 0102 LEU A 113 GLU 37 E 0108 SER A 114 ASP 38 E 0108 ASN A 115 GLY 39 H 0300 GLY A 116 VAL 40 H 0300 ALA A 117 ASP 41 H 0300 PRO A 118 ALA 42 H 2300 H 0300 ASP A 119 LEU 43 H 2300 H 0300 MET A 120 ASN 44 H 2300 H 0300 LEU A 121 LYS 45 H 2300 H 0300 GLN A 122 LEU 46 H 2300 H 0300 ALA A 123 GLN 47 H 2300 H 0300 LEU A 124 ALA 48 H 2300 H 0300 VAL A 125 GLY 49 H 2300 ALA A 126 GLY 50 H 2300 ASN A 127 TYR 51 H 2300 ALA A 128 H 2300 GLY A 129 LEU A 130 THR A 131 ASP A 132 SER A 133 PHE A 134 ASP A 135 ALA A 136 E 0109 VAL A 137 E 0109 ILE A 138 E 0109 SER A 139 E 0109 VAL A 140 ASP A 141 H 2400 ALA A 142 H 2400 LYS A 143 H 2400 ARG A 144 VAL A 145 PHE A 146 LYS A 147 PRO A 148 HIS A 149 PRO A 150 H 2500 ASP A 151 H 2500 SER A 152 H 2500 TYR A 153 H 2500 ALA A 154 H 2500 LEU A 155 H 2500 VAL A 156 H 2500 GLU A 157 H 2500 GLU A 158 H 2500 VAL A 159 H 2500 LEU A 160 H 2500 GLY A 161 VAL A 162 THR A 163 PRO A 164 H 2600 ALA A 165 H 2600 GLU A 166 GLY 52 H 2600 VAL A 167 PHE 53 E 0110 E 0103 LEU A 168 VAL 54 E 0110 E 0103 PHE A 169 ILE 55 E 0110 E 0103 VAL A 170 SER 56 E 0110 E 0103 SER A 171 ASP 57 E 0110 E 0103 SER A 172 TRP 58 ASN A 173 ASN 59 GLY A 174 MET 60 H 2700 PHE A 175 PRO 61 H 2700 ASN 62 MET 63 ASP A 176 ASP 64 H 2700 VAL A 177 GLY 65 H 2700 H 0400 GLY A 178 LEU 66 H 2700 H 0400 GLY A 179 GLU 67 H 2700 H 0400 ALA A 180 LEU 68 H 2700 H 0400 LYS A 181 LEU 69 H 2700 H 0400 ASN A 182 LYS 70 H 2700 H 0400 PHE A 183 THR 71 H 2700 H 0400 GLY A 184 ILE 72 H 0400 PHE A 185 ARG 73 H 0400 ALA 74 H 0400 ASP 75 GLY 76 ALA 77 MET 78 SER 79 ALA 80 LEU 81 PRO 82 SER A 186 VAL 83 E 0111 E 0104 VAL A 187 LEU 84 E 0111 E 0104 ALA A 188 MET 85 E 0111 E 0104 ARG A 189 VAL 86 E 0111 E 0104 VAL A 190 THR 87 E 0111 E 0104 ALA A 191 ALA 88 ARG A 192 GLU 89 LEU A 193 ALA 90 SER A 194 LYS 91 GLN A 195 LYS 92 H 2800 H 0500 GLU A 196 GLU 93 H 2800 H 0500 ALA A 197 ASN 94 H 2800 H 0500 LEU A 198 ILE 95 H 2800 H 0500 ALA A 199 ILE 96 H 2800 H 0500 ARG A 200 ALA 97 H 2800 H 0500 GLU A 201 ALA 98 H 2800 H 0500 LEU A 202 ALA 99 H 2800 H 0500 VAL A 203 GLN 100 H 0500 SER A 204 ALA 101 H 0500 GLY A 205 GLY 102 THR A 206 ALA 103 ILE A 207 SER 104 ALA A 208 PRO A 209 H 2900 LEU A 210 H 2900 THR A 211 H 2900 MET A 212 H 2900 PHE A 213 H 2900 LYS A 214 H 2900 ALA A 215 H 2900 LEU A 216 H 2900 ARG A 217 H 2900 MET A 218 H 2900 ARG A 219 GLU A 220 GLU A 221 THR A 222 TYR A 223 ALA A 224 GLU A 225 ALA A 226 PRO A 227 ASP A 228 GLY 105 E 0105 PHE A 229 TYR 106 E 0112 E 0105 VAL A 230 VAL 107 E 0112 E 0105 VAL A 231 VAL 108 E 0112 E 0105 PRO A 232 LYS 109 ALA A 233 PRO 110 LEU A 234 PHE 111 H 3000 GLY A 235 THR 112 H 3000 ASP A 236 ALA 113 H 3000 H 0600 LEU A 237 ALA 114 H 3100 H 0600 PRO A 238 THR 115 H 3100 H 0600 ARG A 239 LEU 116 H 3100 H 0600 LEU A 240 GLU 117 H 3100 H 0600 VAL A 241 GLU 118 H 3100 H 0600 ARG A 242 LYS 119 H 3100 H 0600 GLY A 243 LEU 120 H 1600 H 0600 MET A 244 ASN 121 H 1600 H 0600 ALA A 245 LYS 122 H 0600 MET B 1 ILE 123 H 0600 ILE B 2 PHE 124 H 0600 LYS B 3 GLU 125 H 0600 ALA B 4 LYS 126 H 0600 VAL B 5 LEU 127 H 0600 VAL B 6 GLY 128 PHE B 7 MET 129 ASP B 8 ALA B 9 TYR B 10 GLY B 11 THR B 12 LEU B 13 PHE B 14 ASP B 15 VAL B 16 GLN B 17 SER B 18 VAL B 19 ALA B 20 ASP B 21 ALA B 22 THR B 23 GLU B 24 ARG B 25 ALA B 26 TYR B 27 PRO B 28 GLY B 29 ARG B 30 GLY B 31 GLU B 32 TYR B 33 ILE B 34 THR B 35 GLN B 36 VAL B 37 TRP B 38 ARG B 39 GLN B 40 LYS B 41 GLN B 42 LEU B 43 GLU B 44 TYR B 45 SER B 46 TRP B 47 LEU B 48 ARG B 49 ALA B 50 LEU B 51 MET B 52 GLY B 53 ARG B 54 TYR B 55 ALA B 56 ASP B 57 PHE B 58 TRP B 59 SER B 60 VAL B 61 THR B 62 ARG B 63 GLU B 64 ALA B 65 LEU B 66 ALA B 67 TYR B 68 THR B 69 LEU B 70 GLY B 71 THR B 72 LEU B 73 GLY B 74 LEU B 75 GLU B 76 PRO B 77 ASP B 78 GLU B 79 SER B 80 PHE B 81 LEU B 82 ALA B 83 ASP B 84 MET B 85 ALA B 86 GLN B 87 ALA B 88 TYR B 89 ASN B 90 ARG B 91 LEU B 92 THR B 93 PRO B 94 TYR B 95 PRO B 96 ASP B 97 ALA B 98 ALA B 99 GLN B 100 CYS B 101 LEU B 102 ALA B 103 GLU B 104 LEU B 105 ALA B 106 PRO B 107 LEU B 108 LYS B 109 ARG B 110 ALA B 111 ILE B 112 LEU B 113 SER B 114 ASN B 115 GLY B 116 ALA B 117 PRO B 118 ASP B 119 MET B 120 LEU B 121 GLN B 122 ALA B 123 LEU B 124 VAL B 125 ALA B 126 ASN B 127 ALA B 128 GLY B 129 LEU B 130 THR B 131 ASP B 132 SER B 133 PHE B 134 ASP B 135 ALA B 136 VAL B 137 ILE B 138 SER B 139 VAL B 140 ASP B 141 ALA B 142 LYS B 143 ARG B 144 VAL B 145 PHE B 146 LYS B 147 PRO B 148 HIS B 149 PRO B 150 ASP B 151 SER B 152 TYR B 153 ALA B 154 LEU B 155 VAL B 156 GLU B 157 GLU B 158 VAL B 159 LEU B 160 GLY B 161 VAL B 162 THR B 163 PRO B 164 ALA B 165 GLU B 166 VAL B 167 LEU B 168 PHE B 169 VAL B 170 SER B 171 SER B 172 ASN B 173 GLY B 174 PHE B 175 ASP B 176 VAL B 177 GLY B 178 GLY B 179 ALA B 180 LYS B 181 ASN B 182 PHE B 183 GLY B 184 PHE B 185 SER B 186 VAL B 187 ALA B 188 ARG B 189 VAL B 190 ALA B 191 ARG B 192 LEU B 193 SER B 194 GLN B 195 GLU B 196 ALA B 197 LEU B 198 ALA B 199 ARG B 200 GLU B 201 LEU B 202 VAL B 203 SER B 204 GLY B 205 THR B 206 ILE B 207 ALA B 208 PRO B 209 LEU B 210 THR B 211 MET B 212 PHE B 213 LYS B 214 ALA B 215 LEU B 216 ARG B 217 MET B 218 ARG B 219 GLU B 220 GLU B 221 THR B 222 TYR B 223 ALA B 224 GLU B 225 ALA B 226 PRO B 227 ASP B 228 PHE B 229 VAL B 230 VAL B 231 PRO B 232 ALA B 233 LEU B 234 GLY B 235 ASP B 236 LEU B 237 PRO B 238 ARG B 239 LEU B 240 VAL B 241 ARG B 242 GLY B 243 MET B 244 ALA B 245