Project name: RSV_1_486S487Q [mutate: DS423A, EQ424A, DS423C, EQ424C, DS423B, EQ424B]
Status: done
Started: 2025-12-10 04:54:20
| Chain sequence(s) |
A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH
C: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH B: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | DS423A,EQ424A,DS423C,DS423B,EQ424B,EQ424C |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.0768 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:35:02)
[INFO] CABS: Running CABS flex simulation (00:43:12)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (09:25:21)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (09:25:52)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (09:26:23)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (09:26:54)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (09:27:24)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (09:27:55)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (09:28:25)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (09:28:55)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (09:29:27)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (09:29:59)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (09:30:30)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (09:31:01)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (09:31:35)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (09:32:41)
[INFO] Main: Simulation completed successfully. (09:33:12)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.8833
- Maximal score value
- 2.1417
- Average score
- -0.503
- Total score value
- -680.4966
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | Q | A | -1.3523 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | 0.7402 | |
| 4 | T | A | -0.2592 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.0281 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.3322 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -0.8350 | |
| 11 | T | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | -0.2695 | |
| 14 | A | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -0.5784 | |
| 18 | G | A | -0.1689 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | -0.3944 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | -0.0823 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0600 | |
| 25 | T | A | -0.0598 | |
| 26 | G | A | -0.2888 | |
| 27 | W | A | -0.0518 | |
| 28 | Y | A | 0.3360 | |
| 29 | T | A | 0.3139 | |
| 30 | S | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | E | A | -1.0705 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -1.8862 | |
| 38 | N | A | -2.5282 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -3.0903 | |
| 41 | E | A | -2.8658 | |
| 42 | P | A | -2.0105 | |
| 43 | K | A | -2.1840 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.3659 | |
| 46 | G | A | -1.9344 | |
| 47 | T | A | -1.2091 | |
| 48 | D | A | -1.0220 | |
| 49 | A | A | -0.9538 | |
| 50 | K | A | -0.9110 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.5740 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -1.3975 | |
| 56 | Q | A | -1.0050 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -1.5313 | |
| 60 | K | A | -1.0476 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -1.8754 | |
| 63 | N | A | -0.9952 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.4958 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.6458 | |
| 70 | L | A | -0.3525 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -1.2113 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.3120 | |
| 76 | P | A | 0.0000 | |
| 77 | A | A | -0.3805 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | -0.4122 | |
| 80 | G | A | -0.7982 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.4098 | |
| 83 | S | A | 0.0354 | |
| 84 | A | A | 0.1572 | |
| 85 | I | A | 0.3452 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.0127 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -0.5324 | |
| 94 | C | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.4758 | |
| 97 | L | A | 0.1224 | |
| 98 | E | A | -1.7839 | |
| 99 | G | A | -1.7212 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | -1.7643 | |
| 102 | N | A | -2.9585 | |
| 103 | K | A | -2.7635 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.8802 | |
| 106 | S | A | -0.9427 | |
| 107 | A | A | -0.5058 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.3824 | |
| 110 | S | A | -0.2348 | |
| 111 | T | A | -0.2862 | |
| 112 | N | A | 0.0000 | |
| 113 | K | A | -0.8110 | |
| 114 | A | A | 0.3742 | |
| 115 | V | A | 1.4901 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.0480 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | 0.0290 | |
| 120 | C | A | -0.2684 | |
| 121 | G | A | -0.6015 | |
| 122 | V | A | -0.5165 | |
| 123 | S | A | 0.2364 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.7142 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -0.5831 | |
| 129 | V | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -1.8422 | |
| 134 | N | A | -2.5784 | |
| 135 | Y | A | -1.7120 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.9949 | |
| 138 | K | A | -2.9652 | |
| 139 | Q | A | -1.7326 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -0.7171 | |
| 142 | P | A | -0.9294 | |
| 143 | I | A | -0.5459 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.5822 | |
| 146 | K | A | -2.6529 | |
| 147 | Q | A | -2.9381 | |
| 148 | S | A | -1.6765 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -0.0921 | |
| 151 | I | A | 1.3294 | |
| 152 | P | A | 0.0000 | |
| 153 | N | A | -0.1840 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | -0.4286 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.6777 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.7260 | |
| 162 | Q | A | -0.8161 | |
| 163 | K | A | -0.6628 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -1.0638 | |
| 166 | R | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.5727 | |
| 169 | E | A | -0.6542 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.5010 | |
| 173 | E | A | -0.4057 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.0247 | |
| 177 | N | A | -0.2405 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2189 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.2759 | |
| 183 | P | A | -0.3062 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | -0.1350 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.1351 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.0805 | |
| 193 | E | A | -0.2586 | |
| 194 | L | A | 0.1754 | |
| 195 | L | A | -0.0613 | |
| 196 | S | A | -0.5733 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.8441 | |
| 200 | D | A | -1.9532 | |
| 201 | M | A | -0.8808 | |
| 202 | P | A | -1.5296 | |
| 203 | I | A | -0.9004 | |
| 204 | T | A | -1.6395 | |
| 205 | N | A | -2.9464 | |
| 206 | D | A | -3.0887 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.2493 | |
| 209 | K | A | -2.7427 | |
| 210 | L | A | -1.3581 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -0.7535 | |
| 213 | N | A | -0.7285 | |
| 214 | N | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | V | A | -0.2168 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | -0.9845 | |
| 221 | Q | A | -0.6884 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | -0.7027 | |
| 229 | I | A | -1.3186 | |
| 230 | K | A | -2.8600 | |
| 231 | E | A | -3.4261 | |
| 232 | E | A | -2.4938 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | Q | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | 0.0799 | |
| 245 | V | A | 0.3212 | |
| 246 | I | A | 0.2020 | |
| 247 | D | A | -1.2541 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.7719 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.1899 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.5548 | |
| 261 | T | A | -0.1624 | |
| 262 | N | A | 0.0000 | |
| 263 | T | A | -0.8769 | |
| 264 | K | A | 0.0000 | |
| 265 | E | A | -2.1187 | |
| 266 | G | A | -1.5042 | |
| 267 | S | A | -1.0261 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.1191 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | D | A | -1.4897 | |
| 276 | R | A | -1.4147 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.8329 | |
| 282 | N | A | -0.6291 | |
| 283 | A | A | -0.4571 | |
| 284 | G | A | -0.6657 | |
| 285 | S | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.2579 | |
| 291 | Q | A | -2.0202 | |
| 292 | A | A | -1.8251 | |
| 293 | E | A | -2.3490 | |
| 294 | T | A | -1.3334 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -1.1140 | |
| 297 | V | A | -0.3464 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.8201 | |
| 300 | N | A | -0.7705 | |
| 301 | R | A | -0.9018 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0519 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | -0.0047 | |
| 308 | N | A | -1.0438 | |
| 309 | S | A | -0.4066 | |
| 310 | L | A | 0.0583 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | 0.0000 | |
| 314 | P | A | -0.3313 | |
| 315 | E | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.0482 | |
| 318 | L | A | 0.9620 | |
| 319 | C | A | 0.5534 | |
| 320 | N | A | 0.2095 | |
| 321 | V | A | 0.7125 | |
| 322 | D | A | -0.4555 | |
| 323 | I | A | 0.8311 | |
| 324 | F | A | 0.5429 | |
| 325 | N | A | 0.0265 | |
| 326 | P | A | -0.5821 | |
| 327 | K | A | -0.8994 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.1803 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.1579 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.1318 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.3272 | |
| 338 | D | A | -0.2005 | |
| 339 | V | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.2049 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | -0.0600 | |
| 344 | I | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | C | A | 0.0000 | |
| 354 | Y | A | -0.3385 | |
| 355 | G | A | -1.3135 | |
| 356 | K | A | -1.8599 | |
| 357 | T | A | -1.3481 | |
| 358 | K | A | -1.7316 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.1682 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.2773 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -2.7485 | |
| 365 | N | A | -3.2442 | |
| 366 | R | A | -2.7907 | |
| 367 | G | A | -1.3117 | |
| 368 | I | A | 0.9926 | |
| 369 | I | A | 2.1417 | |
| 370 | K | A | 1.2237 | |
| 371 | T | A | 0.8666 | |
| 372 | F | A | 1.2951 | |
| 373 | S | A | 0.0625 | |
| 374 | N | A | -0.0448 | |
| 375 | G | A | -0.3477 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.4632 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -2.2268 | |
| 382 | K | A | -3.0579 | |
| 383 | G | A | -1.7903 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | -1.9501 | |
| 386 | T | A | -0.5647 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.3505 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.7395 | |
| 391 | N | A | -0.3744 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.2097 | |
| 394 | Y | A | 0.1133 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.7530 | |
| 399 | Q | A | 0.0000 | |
| 400 | E | A | -1.3929 | |
| 401 | G | A | -1.1220 | |
| 402 | K | A | -1.5131 | |
| 403 | S | A | -0.4063 | |
| 404 | L | A | 0.7414 | |
| 405 | Y | A | 0.9992 | |
| 406 | V | A | 0.0741 | |
| 407 | K | A | -1.7020 | |
| 408 | G | A | -1.9889 | |
| 409 | E | A | -2.4423 | |
| 410 | P | A | -1.4782 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | -1.3143 | |
| 414 | F | A | 0.1193 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -1.6603 | |
| 417 | P | A | -0.6456 | |
| 418 | L | A | 0.3387 | |
| 419 | V | A | 0.6933 | |
| 420 | F | A | 0.4888 | |
| 421 | P | A | -0.0067 | |
| 422 | S | A | 0.0000 | |
| 423 | S | A | 0.0000 | mutated: DS423A |
| 424 | Q | A | 0.3957 | mutated: EQ424A |
| 425 | F | A | 0.5102 | |
| 426 | D | A | -0.0867 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | -0.0728 | |
| 430 | S | A | -0.3974 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.1218 | |
| 434 | E | A | -1.8688 | |
| 435 | K | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | N | A | -2.0539 | |
| 438 | Q | A | -1.4813 | |
| 439 | S | A | -0.7136 | |
| 440 | L | A | -0.3681 | |
| 441 | A | A | -0.9199 | |
| 442 | W | A | -0.8230 | |
| 443 | I | A | -0.9291 | |
| 444 | R | A | -2.5331 | |
| 445 | K | A | -2.0058 | |
| 446 | F | A | -1.5588 | |
| 447 | D | A | -2.7387 | |
| 448 | E | A | -2.9367 | |
| 449 | L | A | -1.4232 | |
| 450 | L | A | -0.9112 | |
| 451 | H | A | -1.5740 | |
| 1 | Q | B | -1.7559 | |
| 2 | N | B | -2.3163 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.3426 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.0768 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | -0.6012 | |
| 9 | Q | B | -1.2917 | |
| 10 | S | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | C | B | 0.0000 | |
| 13 | S | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | V | B | 0.0000 | |
| 16 | S | B | -0.8529 | |
| 17 | K | B | -1.3276 | |
| 18 | G | B | -1.0365 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.7480 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.1053 | |
| 26 | G | B | 0.2260 | |
| 27 | W | B | 0.3921 | |
| 28 | Y | B | 0.4516 | |
| 29 | T | B | 0.0000 | |
| 30 | S | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | E | B | -1.9323 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | N | B | -3.4211 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -3.5351 | |
| 41 | E | B | -3.7372 | |
| 42 | P | B | -3.0549 | |
| 43 | K | B | -3.1281 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -3.1404 | |
| 46 | G | B | -2.5045 | |
| 47 | T | B | -1.6800 | |
| 48 | D | B | -2.7839 | |
| 49 | A | B | -1.9178 | |
| 50 | K | B | -1.6973 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -3.4734 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -3.8833 | |
| 56 | Q | B | -2.8611 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -3.4015 | |
| 60 | K | B | -2.1309 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -3.5018 | |
| 63 | N | B | -1.8492 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -1.0801 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.7913 | |
| 70 | L | B | -0.2300 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.3968 | |
| 73 | Q | B | -1.2293 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.3330 | |
| 76 | P | B | -0.0256 | |
| 77 | A | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.0844 | |
| 81 | G | B | -0.0425 | |
| 82 | G | B | 0.1112 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.4419 | |
| 85 | I | B | 0.7001 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0000 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0809 | |
| 90 | A | B | -0.3384 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | -0.2175 | |
| 93 | K | B | -0.8882 | |
| 94 | C | B | -0.5756 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.9653 | |
| 97 | L | B | -0.0343 | |
| 98 | E | B | -1.8109 | |
| 99 | G | B | -1.4177 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | -1.8691 | |
| 102 | N | B | -2.4653 | |
| 103 | K | B | -2.5628 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.5964 | |
| 106 | S | B | -1.1163 | |
| 107 | A | B | -0.3355 | |
| 108 | L | B | 0.0994 | |
| 109 | L | B | 0.9910 | |
| 110 | S | B | 0.2458 | |
| 111 | T | B | -0.1130 | |
| 112 | N | B | -0.0357 | |
| 113 | K | B | -0.8490 | |
| 114 | A | B | 0.4739 | |
| 115 | V | B | 1.5049 | |
| 116 | V | B | 0.6086 | |
| 117 | S | B | 0.0910 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.3682 | |
| 120 | C | B | -0.6175 | |
| 121 | G | B | -0.6513 | |
| 122 | V | B | -0.0249 | |
| 123 | S | B | 0.4707 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | -0.4066 | |
| 129 | V | B | -0.1304 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -1.2572 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.9530 | |
| 134 | N | B | -2.7056 | |
| 135 | Y | B | 0.0000 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -3.1180 | |
| 138 | K | B | -2.8472 | |
| 139 | Q | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -2.0989 | |
| 142 | P | B | -1.4454 | |
| 143 | I | B | -0.7426 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.8193 | |
| 146 | K | B | -2.7337 | |
| 147 | Q | B | -2.4923 | |
| 148 | S | B | -1.3391 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | 0.1935 | |
| 151 | I | B | 1.3231 | |
| 152 | P | B | 0.5639 | |
| 153 | N | B | -0.3519 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | -0.6138 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.6921 | |
| 162 | Q | B | -0.6032 | |
| 163 | K | B | -0.5845 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.8124 | |
| 166 | R | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.4444 | |
| 169 | E | B | -0.5472 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.7963 | |
| 173 | E | B | -0.5348 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.3717 | |
| 177 | N | B | -0.6166 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.4143 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | 0.1090 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | 0.0000 | |
| 188 | M | B | 0.2324 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | 0.0000 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.1135 | |
| 193 | E | B | -0.3067 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.1488 | |
| 196 | S | B | -0.6897 | |
| 197 | L | B | -0.8962 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.9283 | |
| 200 | D | B | -2.4327 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.9625 | |
| 203 | I | B | 0.0000 | |
| 204 | T | B | -1.7125 | |
| 205 | N | B | -2.7291 | |
| 206 | D | B | -2.4748 | |
| 207 | Q | B | -2.0051 | |
| 208 | K | B | -2.5748 | |
| 209 | K | B | -2.7506 | |
| 210 | L | B | -1.6161 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.1153 | |
| 213 | N | B | -1.1068 | |
| 214 | N | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | P | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | R | B | 0.0000 | |
| 220 | Q | B | -0.3863 | |
| 221 | Q | B | -0.3283 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.6205 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | K | B | -2.5889 | |
| 231 | E | B | -3.7231 | |
| 232 | E | B | -2.7961 | |
| 233 | V | B | 0.0000 | |
| 234 | L | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | Y | B | 0.0000 | |
| 237 | V | B | 0.0000 | |
| 238 | V | B | 0.0000 | |
| 239 | Q | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | P | B | 0.0000 | |
| 242 | L | B | 0.2023 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.1189 | |
| 245 | V | B | -0.1331 | |
| 246 | I | B | -0.6450 | |
| 247 | D | B | -1.6770 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.7953 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.4076 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | -0.3859 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | 0.1287 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | -0.2584 | |
| 260 | T | B | -0.2819 | |
| 261 | T | B | -0.7705 | |
| 262 | N | B | -1.5195 | |
| 263 | T | B | -1.2983 | |
| 264 | K | B | -1.2476 | |
| 265 | E | B | -1.3475 | |
| 266 | G | B | -1.1560 | |
| 267 | S | B | -0.7246 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.0352 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | 0.0000 | |
| 275 | D | B | -1.5380 | |
| 276 | R | B | -1.8391 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -1.2708 | |
| 282 | N | B | -0.9137 | |
| 283 | A | B | -0.6137 | |
| 284 | G | B | -0.9496 | |
| 285 | S | B | -0.8136 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.2376 | |
| 291 | Q | B | -2.2682 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -2.4021 | |
| 294 | T | B | -1.4238 | |
| 295 | C | B | -0.9943 | |
| 296 | K | B | -0.8020 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.8142 | |
| 300 | N | B | -1.2223 | |
| 301 | R | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.3538 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | 0.0589 | |
| 308 | N | B | -0.5700 | |
| 309 | S | B | -0.0159 | |
| 310 | L | B | 0.7383 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | -0.2953 | |
| 313 | P | B | -0.8035 | |
| 314 | P | B | -1.2384 | |
| 315 | E | B | -1.7868 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -1.5867 | |
| 318 | L | B | 0.0000 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.8536 | |
| 321 | V | B | 0.0000 | |
| 322 | D | B | -1.0047 | |
| 323 | I | B | 0.6734 | |
| 324 | F | B | -0.1716 | |
| 325 | N | B | -1.0733 | |
| 326 | P | B | -1.3644 | |
| 327 | K | B | -2.4992 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | -1.2063 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.8434 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.1262 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0306 | |
| 336 | K | B | -0.1465 | |
| 337 | T | B | 0.0000 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.0777 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.0581 | |
| 342 | S | B | 0.1046 | |
| 343 | V | B | 0.1585 | |
| 344 | I | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | S | B | 0.0000 | |
| 347 | L | B | 0.0000 | |
| 348 | G | B | 0.0000 | |
| 349 | A | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | V | B | 0.0000 | |
| 352 | S | B | 0.0000 | |
| 353 | C | B | 0.0000 | |
| 354 | Y | B | -0.7836 | |
| 355 | G | B | 0.0000 | |
| 356 | K | B | -1.9481 | |
| 357 | T | B | 0.0000 | |
| 358 | K | B | -2.1388 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | 0.0271 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | 0.0000 | |
| 363 | N | B | -1.6437 | |
| 364 | K | B | -2.4912 | |
| 365 | N | B | -1.8755 | |
| 366 | R | B | -1.9861 | |
| 367 | G | B | -0.5764 | |
| 368 | I | B | 1.5385 | |
| 369 | I | B | 1.8582 | |
| 370 | K | B | -0.2054 | |
| 371 | T | B | -0.1583 | |
| 372 | F | B | -0.2663 | |
| 373 | S | B | -0.7635 | |
| 374 | N | B | -1.3540 | |
| 375 | G | B | -0.6760 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -0.4902 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.1546 | |
| 380 | S | B | -0.6295 | |
| 381 | N | B | -1.5510 | |
| 382 | K | B | -2.8253 | |
| 383 | G | B | -2.1745 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.0881 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | N | B | -0.7265 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.0125 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.3180 | |
| 399 | Q | B | -2.0798 | |
| 400 | E | B | -3.0408 | |
| 401 | G | B | 0.0000 | |
| 402 | K | B | -2.4981 | |
| 403 | S | B | -0.3895 | |
| 404 | L | B | 1.2118 | |
| 405 | Y | B | 0.9011 | |
| 406 | V | B | 0.0870 | |
| 407 | K | B | -1.9238 | |
| 408 | G | B | -1.6244 | |
| 409 | E | B | -2.1969 | |
| 410 | P | B | -1.2013 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | -0.6757 | |
| 413 | N | B | -1.3611 | |
| 414 | F | B | -0.2632 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | 0.0082 | |
| 417 | P | B | 0.4936 | |
| 418 | L | B | 1.5035 | |
| 419 | V | B | 1.9504 | |
| 420 | F | B | 1.0795 | |
| 421 | P | B | 0.1697 | |
| 422 | S | B | 0.2392 | |
| 423 | S | B | 0.0000 | mutated: DS423B |
| 424 | Q | B | 0.2075 | mutated: EQ424B |
| 425 | F | B | 0.4310 | |
| 426 | D | B | -0.1028 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -1.4385 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.5673 | |
| 434 | E | B | -1.9442 | |
| 435 | K | B | -1.7514 | |
| 436 | I | B | -1.1871 | |
| 437 | N | B | -1.9276 | |
| 438 | Q | B | -2.0640 | |
| 439 | S | B | -1.0139 | |
| 440 | L | B | -0.7254 | |
| 441 | A | B | -1.4914 | |
| 442 | W | B | -1.2304 | |
| 443 | I | B | -1.5897 | |
| 444 | R | B | -3.0817 | |
| 445 | K | B | -2.9624 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -3.1340 | |
| 448 | E | B | -3.0048 | |
| 449 | L | B | -0.7046 | |
| 450 | L | B | -0.5109 | |
| 451 | H | B | -1.6513 | |
| 1 | Q | C | -1.4693 | |
| 2 | N | C | -2.2760 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.4711 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.4244 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.3601 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | -0.8002 | |
| 11 | T | C | 0.0000 | |
| 12 | C | C | 0.0000 | |
| 13 | S | C | 0.0000 | |
| 14 | A | C | 0.0000 | |
| 15 | V | C | 0.0000 | |
| 16 | S | C | 0.0000 | |
| 17 | K | C | -1.6064 | |
| 18 | G | C | -1.4546 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.4696 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.2752 | |
| 26 | G | C | 0.0000 | |
| 27 | W | C | 0.5411 | |
| 28 | Y | C | 0.5510 | |
| 29 | T | C | 0.3279 | |
| 30 | S | C | 0.0000 | |
| 31 | V | C | 0.0000 | |
| 32 | I | C | 0.0000 | |
| 33 | T | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | E | C | 0.0000 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -0.8077 | |
| 39 | I | C | -0.2766 | |
| 40 | K | C | -1.3638 | |
| 41 | E | C | -1.4785 | |
| 42 | P | C | -1.7363 | |
| 43 | K | C | -2.7631 | |
| 44 | C | C | -2.3442 | |
| 45 | N | C | -2.3079 | |
| 46 | G | C | -1.5980 | |
| 47 | T | C | -1.0527 | |
| 48 | D | C | -1.3335 | |
| 49 | A | C | -0.8341 | |
| 50 | K | C | -0.9946 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.8334 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | 0.0000 | |
| 56 | Q | C | -1.5767 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -1.3813 | |
| 60 | K | C | -0.7919 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -0.8653 | |
| 63 | N | C | -0.5619 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.2423 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.8476 | |
| 70 | L | C | -0.4790 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.6554 | |
| 73 | Q | C | -1.2577 | |
| 74 | S | C | -0.6953 | |
| 75 | T | C | -0.6265 | |
| 76 | P | C | -0.3561 | |
| 77 | A | C | -0.5308 | |
| 78 | A | C | -0.3622 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | -0.5081 | |
| 81 | G | C | -0.4082 | |
| 82 | G | C | -0.4088 | |
| 83 | S | C | -0.0462 | |
| 84 | A | C | 0.1880 | |
| 85 | I | C | 0.4681 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.1028 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | -0.5130 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -1.6961 | |
| 94 | C | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.2400 | |
| 97 | L | C | -0.3280 | |
| 98 | E | C | -2.0214 | |
| 99 | G | C | -1.5754 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.1304 | |
| 103 | K | C | -1.8022 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.3418 | |
| 106 | S | C | -0.6371 | |
| 107 | A | C | 0.0000 | |
| 108 | L | C | -0.0540 | |
| 109 | L | C | 1.0821 | |
| 110 | S | C | 0.0488 | |
| 111 | T | C | -0.2593 | |
| 112 | N | C | -0.8174 | |
| 113 | K | C | -1.6886 | |
| 114 | A | C | -0.0563 | |
| 115 | V | C | 1.3958 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | 0.1339 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | 0.0025 | |
| 120 | C | C | 0.1564 | |
| 121 | G | C | -0.5503 | |
| 122 | V | C | 0.1567 | |
| 123 | S | C | 0.2815 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.5325 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | -0.4086 | |
| 128 | K | C | 0.0000 | |
| 129 | V | C | -0.0547 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -0.7163 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -1.5105 | |
| 134 | N | C | -2.0591 | |
| 135 | Y | C | -1.1562 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.3836 | |
| 138 | K | C | -2.4827 | |
| 139 | Q | C | -1.2856 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.4442 | |
| 142 | P | C | -1.3785 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.4711 | |
| 146 | K | C | -2.3294 | |
| 147 | Q | C | -2.3938 | |
| 148 | S | C | -1.2593 | |
| 149 | C | C | -0.8341 | |
| 150 | S | C | 0.0888 | |
| 151 | I | C | 1.2080 | |
| 152 | P | C | 0.4216 | |
| 153 | N | C | 0.1224 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | -0.6696 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | -0.2589 | |
| 159 | E | C | -0.7392 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.6494 | |
| 162 | Q | C | -0.7075 | |
| 163 | K | C | -0.5426 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.6514 | |
| 166 | R | C | -0.6981 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.2938 | |
| 169 | E | C | -0.7438 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -1.2320 | |
| 173 | E | C | 0.0000 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.3782 | |
| 177 | N | C | -0.5034 | |
| 178 | A | C | -0.2819 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.4217 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.0971 | |
| 183 | P | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.1494 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | -0.1310 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.1603 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.2575 | |
| 193 | E | C | -0.3210 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.2683 | |
| 196 | S | C | -1.0274 | |
| 197 | L | C | -0.9753 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.5056 | |
| 200 | D | C | -2.4586 | |
| 201 | M | C | -1.1780 | |
| 202 | P | C | -1.7418 | |
| 203 | I | C | -0.7386 | |
| 204 | T | C | -1.4463 | |
| 205 | N | C | -2.8335 | |
| 206 | D | C | -3.1850 | |
| 207 | Q | C | -2.0542 | |
| 208 | K | C | -2.5477 | |
| 209 | K | C | -3.2363 | |
| 210 | L | C | -2.0572 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.5858 | |
| 213 | N | C | -1.9319 | |
| 214 | N | C | -1.1630 | |
| 215 | V | C | 0.0000 | |
| 216 | P | C | 0.0000 | |
| 217 | I | C | 0.0000 | |
| 218 | V | C | 0.0000 | |
| 219 | R | C | 0.0000 | |
| 220 | Q | C | -0.6402 | |
| 221 | Q | C | -0.4872 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.3011 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | I | C | 0.0000 | |
| 229 | I | C | 0.0000 | |
| 230 | K | C | -1.5487 | |
| 231 | E | C | -1.1360 | |
| 232 | E | C | -1.0543 | |
| 233 | V | C | 0.0000 | |
| 234 | L | C | 0.0000 | |
| 235 | A | C | 0.0000 | |
| 236 | Y | C | 0.0000 | |
| 237 | V | C | 0.0000 | |
| 238 | V | C | 0.0000 | |
| 239 | Q | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | P | C | 0.0000 | |
| 242 | L | C | 0.7572 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.1931 | |
| 245 | V | C | 0.2975 | |
| 246 | I | C | -0.3148 | |
| 247 | D | C | -1.3071 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.7722 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | 0.0000 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | 0.0000 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.2291 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | 0.0000 | |
| 261 | T | C | -0.4030 | |
| 262 | N | C | -0.9941 | |
| 263 | T | C | -1.4390 | |
| 264 | K | C | -2.6549 | |
| 265 | E | C | -2.5901 | |
| 266 | G | C | 0.0000 | |
| 267 | S | C | 0.0000 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | 0.0000 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -0.9698 | |
| 275 | D | C | -2.0787 | |
| 276 | R | C | -1.6505 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -1.0012 | |
| 282 | N | C | 0.0000 | |
| 283 | A | C | -0.3102 | |
| 284 | G | C | -0.7808 | |
| 285 | S | C | -0.5666 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | -0.0925 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.3826 | |
| 291 | Q | C | -2.1958 | |
| 292 | A | C | -1.6613 | |
| 293 | E | C | -2.1984 | |
| 294 | T | C | 0.0000 | |
| 295 | C | C | -0.5620 | |
| 296 | K | C | 0.0000 | |
| 297 | V | C | 0.0994 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.7714 | |
| 300 | N | C | -0.6010 | |
| 301 | R | C | -0.6428 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | 0.0000 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.2002 | |
| 308 | N | C | -0.8879 | |
| 309 | S | C | 0.0000 | |
| 310 | L | C | 0.0283 | |
| 311 | T | C | -0.3256 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.9253 | |
| 314 | P | C | -0.5331 | |
| 315 | E | C | -0.6423 | |
| 316 | V | C | -0.3068 | |
| 317 | N | C | -0.8701 | |
| 318 | L | C | 0.7150 | |
| 319 | C | C | 0.1187 | |
| 320 | N | C | -0.3622 | |
| 321 | V | C | 0.9832 | |
| 322 | D | C | -0.5892 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 0.0636 | |
| 325 | N | C | 0.0000 | |
| 326 | P | C | -1.3110 | |
| 327 | K | C | -1.9908 | |
| 328 | Y | C | 0.0000 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.5397 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.3486 | |
| 334 | T | C | 0.3335 | |
| 335 | S | C | 0.1034 | |
| 336 | K | C | -0.6534 | |
| 337 | T | C | -0.2697 | |
| 338 | D | C | -0.8367 | |
| 339 | V | C | -0.4715 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | 0.1816 | |
| 342 | S | C | 0.1709 | |
| 343 | V | C | 0.2520 | |
| 344 | I | C | 0.2690 | |
| 345 | T | C | 0.0000 | |
| 346 | S | C | 0.0000 | |
| 347 | L | C | 0.0000 | |
| 348 | G | C | 0.0000 | |
| 349 | A | C | 0.0000 | |
| 350 | I | C | 0.0000 | |
| 351 | V | C | 0.0000 | |
| 352 | S | C | 0.0000 | |
| 353 | C | C | 0.0000 | |
| 354 | Y | C | -0.5278 | |
| 355 | G | C | -1.5245 | |
| 356 | K | C | -2.1771 | |
| 357 | T | C | -1.7556 | |
| 358 | K | C | -2.0852 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.5752 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.0210 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -1.8403 | |
| 365 | N | C | -1.9133 | |
| 366 | R | C | -1.3851 | |
| 367 | G | C | -0.3856 | |
| 368 | I | C | 1.2065 | |
| 369 | I | C | 1.4727 | |
| 370 | K | C | -0.3720 | |
| 371 | T | C | -0.7272 | |
| 372 | F | C | -0.5145 | |
| 373 | S | C | -0.6807 | |
| 374 | N | C | 0.0000 | |
| 375 | G | C | 0.0000 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.2563 | |
| 378 | Y | C | 0.3539 | |
| 379 | V | C | 0.0000 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -1.3277 | |
| 382 | K | C | -2.2133 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | T | C | -0.1862 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3174 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.6806 | |
| 391 | N | C | -0.2024 | |
| 392 | T | C | 0.0324 | |
| 393 | L | C | 0.2266 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.3861 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.8614 | |
| 399 | Q | C | -1.7156 | |
| 400 | E | C | -2.4478 | |
| 401 | G | C | -2.3148 | |
| 402 | K | C | -2.1517 | |
| 403 | S | C | -0.1595 | |
| 404 | L | C | 1.8734 | |
| 405 | Y | C | 2.0344 | |
| 406 | V | C | 1.1424 | |
| 407 | K | C | -1.3238 | |
| 408 | G | C | -1.2907 | |
| 409 | E | C | -1.2607 | |
| 410 | P | C | -0.7557 | |
| 411 | I | C | -0.2319 | |
| 412 | I | C | -0.1800 | |
| 413 | N | C | -1.0947 | |
| 414 | F | C | 0.0000 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -1.5901 | |
| 417 | P | C | 0.0000 | |
| 418 | L | C | 1.1055 | |
| 419 | V | C | 0.7439 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | -0.1213 | |
| 422 | S | C | 0.0679 | |
| 423 | S | C | 0.3400 | mutated: DS423C |
| 424 | Q | C | 0.0000 | mutated: EQ424C |
| 425 | F | C | 1.3829 | |
| 426 | D | C | 0.4523 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -1.3495 | |
| 431 | Q | C | -1.1534 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -2.2130 | |
| 434 | E | C | -2.4394 | |
| 435 | K | C | 0.0000 | |
| 436 | I | C | -1.1222 | |
| 437 | N | C | -1.3489 | |
| 438 | Q | C | -0.7755 | |
| 439 | S | C | -0.2666 | |
| 440 | L | C | 0.0378 | |
| 441 | A | C | -0.4313 | |
| 442 | W | C | -0.2895 | |
| 443 | I | C | -0.6723 | |
| 444 | R | C | -2.4325 | |
| 445 | K | C | -1.5661 | |
| 446 | F | C | -1.5841 | |
| 447 | D | C | -3.0813 | |
| 448 | E | C | -2.5335 | |
| 449 | L | C | -0.7863 | |
| 450 | L | C | -0.9889 | |
| 451 | H | C | -1.3315 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.503 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_3 | -0.503 | View | CSV | PDB |
| model_6 | -0.5087 | View | CSV | PDB |
| model_4 | -0.5155 | View | CSV | PDB |
| model_11 | -0.5277 | View | CSV | PDB |
| model_10 | -0.5332 | View | CSV | PDB |
| model_2 | -0.5357 | View | CSV | PDB |
| CABS_average | -0.5395 | View | CSV | PDB |
| model_8 | -0.545 | View | CSV | PDB |
| model_9 | -0.5465 | View | CSV | PDB |
| model_1 | -0.5556 | View | CSV | PDB |
| model_0 | -0.5587 | View | CSV | PDB |
| model_7 | -0.5592 | View | CSV | PDB |
| model_5 | -0.5852 | View | CSV | PDB |
| input | -0.6454 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine