Project name: RSV_487L490T495L_189V190I191I [mutate: TV126A, SI127A, KI128A, EL424A, AT427A, VL432A, TV126C, SI127C, KI128C, EL424C, AT427C, VL432C, TV126B, SI127B, KI128B, EL424B, AT427B, VL432B]
Status: done
Started: 2025-12-11 15:39:20
| 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 | SI127B,AT427C,VL432B,AT427B,KI128A,KI128C,VL432A,EL424A,AT427A,TV126B,EL424B,KI128B,VL432C,EL424C,TV126C,SI127C,TV126A,SI127A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -20.1074 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] FoldX: Building mutant model (00:43:03)
[INFO] CABS: Running CABS flex simulation (00:59:54)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (09:40:28)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (09:40:59)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (09:41:26)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (09:41:56)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (09:42:26)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (09:42:56)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (09:43:27)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (09:43:57)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (09:44:28)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (09:44:59)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (09:45:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (09:46:04)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (09:46:37)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (09:47:43)
[INFO] Main: Simulation completed successfully. (09:48:11)
|
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
- -4.1482
- Maximal score value
- 2.969
- Average score
- -0.4954
- Total score value
- -670.2706
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 | -2.0852 | |
| 2 | N | A | -2.7180 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.8577 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.2553 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.7297 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -0.6394 | |
| 11 | T | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -2.0891 | |
| 18 | G | A | -1.4589 | |
| 19 | Y | A | -1.2138 | |
| 20 | L | A | -0.8011 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | -0.0862 | |
| 25 | T | A | -0.0619 | |
| 26 | G | A | 0.0519 | |
| 27 | W | A | 0.0000 | |
| 28 | Y | A | 0.2864 | |
| 29 | T | A | 0.2094 | |
| 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 | -1.4192 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -2.0462 | |
| 38 | N | A | -2.4336 | |
| 39 | I | A | -2.1572 | |
| 40 | K | A | -3.3124 | |
| 41 | E | A | -3.6247 | |
| 42 | P | A | -2.8249 | |
| 43 | K | A | -3.5361 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.6320 | |
| 46 | G | A | -1.7045 | |
| 47 | T | A | -1.2900 | |
| 48 | D | A | -1.6640 | |
| 49 | A | A | -1.1869 | |
| 50 | K | A | -1.3204 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.6667 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.4219 | |
| 56 | Q | A | 0.0000 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | -2.3450 | |
| 59 | D | A | -3.1268 | |
| 60 | K | A | -2.0814 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.9859 | |
| 63 | N | A | -2.1493 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -1.1477 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.0124 | |
| 70 | L | A | -0.4186 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.2824 | |
| 73 | Q | A | -0.6242 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.1323 | |
| 76 | P | A | -0.0056 | |
| 77 | A | A | -0.1049 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | -1.1147 | |
| 82 | G | A | -0.9326 | |
| 83 | S | A | 0.0000 | |
| 84 | A | A | 0.1095 | |
| 85 | I | A | 0.2111 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0363 | |
| 90 | A | A | -0.1977 | |
| 91 | V | A | 0.0780 | |
| 92 | S | A | -0.3928 | |
| 93 | K | A | -1.0247 | |
| 94 | C | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.0749 | |
| 97 | L | A | -0.3948 | |
| 98 | E | A | -2.1248 | |
| 99 | G | A | -1.8591 | |
| 100 | E | A | -1.8959 | |
| 101 | V | A | -2.1193 | |
| 102 | N | A | -2.6093 | |
| 103 | K | A | -2.5439 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -2.0710 | |
| 106 | S | A | -1.0682 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | -0.2760 | |
| 109 | L | A | 0.6261 | |
| 110 | S | A | -0.0283 | |
| 111 | T | A | -0.2561 | |
| 112 | N | A | -0.5207 | |
| 113 | K | A | -1.5312 | |
| 114 | A | A | 0.1300 | |
| 115 | V | A | 1.4174 | |
| 116 | V | A | 0.4118 | |
| 117 | S | A | 0.1490 | |
| 118 | L | A | 0.1729 | |
| 119 | S | A | -0.0593 | |
| 120 | C | A | -0.0871 | |
| 121 | G | A | -0.5976 | |
| 122 | V | A | 0.2628 | |
| 123 | S | A | 0.4047 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | V | A | 0.0000 | mutated: TV126A |
| 127 | I | A | 0.0000 | mutated: SI127A |
| 128 | I | A | 0.0000 | mutated: KI128A |
| 129 | V | A | -0.1525 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.8713 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.0133 | |
| 134 | N | A | -1.7945 | |
| 135 | Y | A | -1.3832 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.4461 | |
| 138 | K | A | -1.7333 | |
| 139 | Q | A | -0.9237 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.2781 | |
| 142 | P | A | -0.9572 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.5274 | |
| 146 | K | A | -2.4363 | |
| 147 | Q | A | -2.6201 | |
| 148 | S | A | -1.6122 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -1.3442 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.7298 | |
| 153 | N | A | -0.7528 | |
| 154 | I | A | -0.3036 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.6007 | |
| 162 | Q | A | -0.6651 | |
| 163 | K | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -0.9010 | |
| 166 | R | A | -0.9153 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.3820 | |
| 169 | E | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.2410 | |
| 173 | E | A | -0.2194 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | 0.0490 | |
| 177 | N | A | -0.2393 | |
| 178 | A | A | -0.1214 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.3006 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0481 | |
| 183 | P | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | -0.1651 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.2805 | |
| 191 | N | A | -0.3802 | |
| 192 | S | A | -0.4713 | |
| 193 | E | A | -0.8899 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.7100 | |
| 196 | S | A | -1.1915 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.3616 | |
| 200 | D | A | -2.4614 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.9570 | |
| 203 | I | A | -1.1051 | |
| 204 | T | A | -1.4850 | |
| 205 | N | A | -2.8520 | |
| 206 | D | A | -3.0674 | |
| 207 | Q | A | -2.1694 | |
| 208 | K | A | -2.5078 | |
| 209 | K | A | -2.8845 | |
| 210 | L | A | -1.5535 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.0209 | |
| 213 | N | A | -0.7702 | |
| 214 | N | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | -0.6809 | |
| 221 | Q | A | -0.4913 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.2288 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | -0.3567 | |
| 228 | I | A | 0.0000 | |
| 229 | I | A | -1.0171 | |
| 230 | K | A | -2.3629 | |
| 231 | E | A | -2.8152 | |
| 232 | E | A | -3.0474 | |
| 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 | 0.2474 | |
| 243 | Y | A | 0.1990 | |
| 244 | G | A | 0.0375 | |
| 245 | V | A | 0.2202 | |
| 246 | I | A | -0.5678 | |
| 247 | D | A | -1.5441 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.8663 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.3073 | |
| 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 | -0.2472 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.2379 | |
| 261 | T | A | -0.5485 | |
| 262 | N | A | -1.0056 | |
| 263 | T | A | -1.1026 | |
| 264 | K | A | -2.0429 | |
| 265 | E | A | -1.7985 | |
| 266 | G | A | -0.9457 | |
| 267 | S | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | R | A | -0.6170 | |
| 274 | T | A | -0.9406 | |
| 275 | D | A | -1.5067 | |
| 276 | R | A | -1.5103 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.3119 | |
| 282 | N | A | -0.6552 | |
| 283 | A | A | -0.4840 | |
| 284 | G | A | -0.2906 | |
| 285 | S | A | -0.2184 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | -0.0888 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.2363 | |
| 291 | Q | A | -1.8881 | |
| 292 | A | A | -1.8535 | |
| 293 | E | A | -2.3745 | |
| 294 | T | A | 0.0000 | |
| 295 | C | A | -0.8388 | |
| 296 | K | A | -0.8304 | |
| 297 | V | A | -0.2919 | |
| 298 | Q | A | -0.4982 | |
| 299 | S | A | 0.0000 | |
| 300 | N | A | -1.5923 | |
| 301 | R | A | -0.9805 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.7323 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | -0.5082 | |
| 308 | N | A | -1.4231 | |
| 309 | S | A | -0.4384 | |
| 310 | L | A | 0.0846 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.3781 | |
| 314 | P | A | 0.0000 | |
| 315 | E | A | -0.0052 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | 0.0000 | |
| 318 | L | A | 1.3338 | |
| 319 | C | A | 0.7058 | |
| 320 | N | A | 1.2727 | |
| 321 | V | A | 2.4647 | |
| 322 | D | A | 1.5921 | |
| 323 | I | A | 2.9690 | |
| 324 | F | A | 2.1142 | |
| 325 | N | A | -0.3925 | |
| 326 | P | A | -1.2003 | |
| 327 | K | A | -2.2785 | |
| 328 | Y | A | -1.0665 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | -0.0809 | |
| 331 | K | A | -0.1854 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | -0.0152 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | -0.0631 | |
| 336 | K | A | -0.2328 | |
| 337 | T | A | -0.1040 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.1355 | |
| 342 | S | A | -0.0722 | |
| 343 | V | A | 0.0204 | |
| 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 | 0.0000 | |
| 355 | G | A | -1.0360 | |
| 356 | K | A | -0.8115 | |
| 357 | T | A | -1.2093 | |
| 358 | K | A | -1.9464 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.2409 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.3984 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -2.4427 | |
| 365 | N | A | -2.6167 | |
| 366 | R | A | -2.7653 | |
| 367 | G | A | -1.6177 | |
| 368 | I | A | -0.0777 | |
| 369 | I | A | 1.3152 | |
| 370 | K | A | 0.3255 | |
| 371 | T | A | -0.1956 | |
| 372 | F | A | -0.3758 | |
| 373 | S | A | -0.9766 | |
| 374 | N | A | -0.9197 | |
| 375 | G | A | -0.8157 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.3827 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.2907 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -1.3638 | |
| 382 | K | A | -2.5419 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | -1.4651 | |
| 386 | T | A | -0.5452 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.3815 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.6225 | |
| 391 | N | A | -0.3114 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | -0.0501 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -2.3215 | |
| 399 | Q | A | 0.0000 | |
| 400 | E | A | -3.1549 | |
| 401 | G | A | -2.7885 | |
| 402 | K | A | -2.5785 | |
| 403 | S | A | -0.5625 | |
| 404 | L | A | 1.2206 | |
| 405 | Y | A | 1.8122 | |
| 406 | V | A | 1.0293 | |
| 407 | K | A | -1.1809 | |
| 408 | G | A | -1.4834 | |
| 409 | E | A | -2.1640 | |
| 410 | P | A | -0.7844 | |
| 411 | I | A | 0.5706 | |
| 412 | I | A | 0.4547 | |
| 413 | N | A | -0.3747 | |
| 414 | F | A | 0.1864 | |
| 415 | Y | A | -0.6250 | |
| 416 | D | A | -1.8370 | |
| 417 | P | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | L | A | 0.0000 | mutated: EL424A |
| 425 | F | A | 0.4365 | |
| 426 | D | A | 0.1093 | |
| 427 | T | A | 0.0000 | mutated: AT427A |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.3437 | |
| 430 | S | A | -0.7431 | |
| 431 | Q | A | 0.0000 | |
| 432 | L | A | 0.0000 | mutated: VL432A |
| 433 | N | A | -1.3457 | |
| 434 | E | A | -2.1685 | |
| 435 | K | A | 0.0000 | |
| 436 | I | A | -0.8332 | |
| 437 | N | A | -0.9393 | |
| 438 | Q | A | -0.7201 | |
| 439 | S | A | -0.2481 | |
| 440 | L | A | 0.3840 | |
| 441 | A | A | -0.2371 | |
| 442 | W | A | 0.0000 | |
| 443 | I | A | -0.2332 | |
| 444 | R | A | -2.0608 | |
| 445 | K | A | -1.6657 | |
| 446 | F | A | 0.0000 | |
| 447 | D | A | -2.2783 | |
| 448 | E | A | -2.5084 | |
| 449 | L | A | -0.4936 | |
| 450 | L | A | -0.1731 | |
| 451 | H | A | -1.2599 | |
| 1 | Q | B | -1.8232 | |
| 2 | N | B | -2.5977 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.4998 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.0285 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0000 | |
| 9 | Q | B | -0.9040 | |
| 10 | S | B | -0.9958 | |
| 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 | 0.0000 | |
| 17 | K | B | -1.0691 | |
| 18 | G | B | -0.8916 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.0344 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | -0.0556 | |
| 25 | T | B | -0.1007 | |
| 26 | G | B | 0.0000 | |
| 27 | W | B | 0.0000 | |
| 28 | Y | B | 0.2661 | |
| 29 | T | B | 0.1912 | |
| 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 | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | N | B | -2.2315 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -3.5767 | |
| 41 | E | B | -4.1482 | |
| 42 | P | B | -2.8989 | |
| 43 | K | B | -3.7585 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -3.0017 | |
| 46 | G | B | -2.4366 | |
| 47 | T | B | -1.6754 | |
| 48 | D | B | -2.2373 | |
| 49 | A | B | -1.5850 | |
| 50 | K | B | -1.8057 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.4033 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.6270 | |
| 56 | Q | B | -1.4555 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.3647 | |
| 60 | K | B | 0.0000 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.1219 | |
| 63 | N | B | -1.1150 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.6059 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.4148 | |
| 70 | L | B | -0.0242 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.2722 | |
| 73 | Q | B | -0.6772 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | P | B | -0.3294 | |
| 77 | A | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.5954 | |
| 81 | G | B | -0.6460 | |
| 82 | G | B | -0.3949 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | -0.0546 | |
| 85 | I | B | 0.2125 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0330 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.5067 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -1.3869 | |
| 94 | C | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.9484 | |
| 97 | L | B | -0.1249 | |
| 98 | E | B | -1.9297 | |
| 99 | G | B | -1.6033 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.2208 | |
| 103 | K | B | -1.9175 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.9738 | |
| 106 | S | B | -1.1073 | |
| 107 | A | B | -0.4779 | |
| 108 | L | B | 0.0000 | |
| 109 | L | B | 0.7254 | |
| 110 | S | B | 0.1239 | |
| 111 | T | B | -0.2264 | |
| 112 | N | B | -0.5506 | |
| 113 | K | B | -1.0522 | |
| 114 | A | B | 0.1571 | |
| 115 | V | B | 1.4345 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | 0.0248 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.2143 | |
| 120 | C | B | 0.0159 | |
| 121 | G | B | -0.4852 | |
| 122 | V | B | -0.1947 | |
| 123 | S | B | 0.2008 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.4905 | |
| 126 | V | B | 0.0000 | mutated: TV126B |
| 127 | I | B | 0.0000 | mutated: SI127B |
| 128 | I | B | 0.0000 | mutated: KI128B |
| 129 | V | B | 0.0000 | |
| 130 | L | B | 0.0294 | |
| 131 | D | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.8009 | |
| 134 | N | B | -2.0473 | |
| 135 | Y | B | -1.4138 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.3390 | |
| 138 | K | B | -2.5586 | |
| 139 | Q | B | -1.3580 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.1492 | |
| 142 | P | B | -1.3301 | |
| 143 | I | B | -1.5208 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -3.2132 | |
| 146 | K | B | -3.1471 | |
| 147 | Q | B | -3.0669 | |
| 148 | S | B | -2.0467 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -1.3664 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.6763 | |
| 153 | N | B | -0.7492 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.4418 | |
| 162 | Q | B | -0.5954 | |
| 163 | K | B | -0.5654 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.8380 | |
| 166 | R | B | -0.6615 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | 0.0000 | |
| 169 | E | B | 0.0000 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.4773 | |
| 173 | E | B | -0.3161 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | 0.1293 | |
| 177 | N | B | -0.1058 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.3580 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | 0.0129 | |
| 183 | P | B | -0.0398 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | -0.0428 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.0898 | |
| 191 | N | B | -0.0873 | |
| 192 | S | B | 0.0197 | |
| 193 | E | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.6217 | |
| 196 | S | B | -0.2106 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.3759 | |
| 200 | D | B | -1.0588 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.6024 | |
| 203 | I | B | -0.4886 | |
| 204 | T | B | -1.4319 | |
| 205 | N | B | -2.9018 | |
| 206 | D | B | -3.1195 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -2.3642 | |
| 209 | K | B | -3.0218 | |
| 210 | L | B | -1.6465 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.1567 | |
| 213 | N | B | -0.9761 | |
| 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 | -0.4007 | |
| 221 | Q | B | -0.3370 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.3237 | |
| 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 | -1.5437 | |
| 231 | E | B | -1.6320 | |
| 232 | E | B | -1.7498 | |
| 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 | 0.2734 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | 0.1726 | |
| 245 | V | B | 0.0222 | |
| 246 | I | B | -0.1023 | |
| 247 | D | B | -1.3727 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.6002 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.0635 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | 0.0000 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | 0.0000 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | -0.1581 | |
| 261 | T | B | 0.0000 | |
| 262 | N | B | -1.4883 | |
| 263 | T | B | -1.7676 | |
| 264 | K | B | -2.5814 | |
| 265 | E | B | -1.4618 | |
| 266 | G | B | -1.2214 | |
| 267 | S | B | -0.9902 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0560 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.1742 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -1.1317 | |
| 275 | D | B | -1.5454 | |
| 276 | R | B | -1.4391 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.6987 | |
| 282 | N | B | -1.0670 | |
| 283 | A | B | -0.6205 | |
| 284 | G | B | -0.7750 | |
| 285 | S | B | -0.8185 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | -0.3878 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | -0.5166 | |
| 290 | P | B | -1.2357 | |
| 291 | Q | B | -2.1195 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -2.3937 | |
| 294 | T | B | -1.4222 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.9171 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.5636 | |
| 300 | N | B | -0.9296 | |
| 301 | R | B | -0.2225 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | 0.0000 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | 0.0000 | |
| 308 | N | B | -1.2779 | |
| 309 | S | B | -0.5098 | |
| 310 | L | B | -0.0359 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.6082 | |
| 314 | P | B | -0.5644 | |
| 315 | E | B | -0.4475 | |
| 316 | V | B | 0.1131 | |
| 317 | N | B | 0.0000 | |
| 318 | L | B | 0.1286 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | 0.0000 | |
| 321 | V | B | -0.2324 | |
| 322 | D | B | -1.4130 | |
| 323 | I | B | 0.0234 | |
| 324 | F | B | 0.0082 | |
| 325 | N | B | -1.1730 | |
| 326 | P | B | -0.9644 | |
| 327 | K | B | -1.1353 | |
| 328 | Y | B | 0.3727 | |
| 329 | D | B | -0.4255 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.7456 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | -0.3258 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.1889 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | 0.0000 | |
| 338 | D | B | -0.2814 | |
| 339 | V | B | 0.2735 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.1702 | |
| 342 | S | B | -0.0229 | |
| 343 | V | B | -0.2507 | |
| 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 | -0.4977 | |
| 355 | G | B | -1.0569 | |
| 356 | K | B | 0.0000 | |
| 357 | T | B | -1.0138 | |
| 358 | K | B | -1.8365 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.5424 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.1796 | |
| 363 | N | B | 0.0000 | |
| 364 | K | B | -1.7713 | |
| 365 | N | B | -2.2842 | |
| 366 | R | B | -2.2615 | |
| 367 | G | B | -0.7896 | |
| 368 | I | B | 0.9418 | |
| 369 | I | B | 0.1768 | |
| 370 | K | B | -0.9935 | |
| 371 | T | B | -0.7136 | |
| 372 | F | B | -0.8205 | |
| 373 | S | B | -0.9449 | |
| 374 | N | B | -0.8176 | |
| 375 | G | B | -0.5016 | |
| 376 | C | B | -0.3221 | |
| 377 | D | B | -0.5521 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.3319 | |
| 380 | S | B | 0.0000 | |
| 381 | N | B | -1.1275 | |
| 382 | K | B | -2.4758 | |
| 383 | G | B | -1.8587 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.4200 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.8327 | |
| 391 | N | B | -0.4990 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.1044 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | 0.0000 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -2.7577 | |
| 401 | G | B | -2.3977 | |
| 402 | K | B | -2.3343 | |
| 403 | S | B | -0.4029 | |
| 404 | L | B | 1.3605 | |
| 405 | Y | B | 1.6808 | |
| 406 | V | B | 0.4243 | |
| 407 | K | B | -1.4678 | |
| 408 | G | B | -1.4199 | |
| 409 | E | B | -1.1023 | |
| 410 | P | B | -0.2371 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | 0.0428 | |
| 413 | N | B | -0.7796 | |
| 414 | F | B | 0.7138 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -1.5424 | |
| 417 | P | B | -0.6718 | |
| 418 | L | B | -0.2047 | |
| 419 | V | B | 0.4557 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | -0.1187 | |
| 422 | S | B | 0.0037 | |
| 423 | D | B | 0.0000 | |
| 424 | L | B | 0.1941 | mutated: EL424B |
| 425 | F | B | -0.2003 | |
| 426 | D | B | -1.2112 | |
| 427 | T | B | 0.0000 | mutated: AT427B |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -0.8425 | |
| 431 | Q | B | 0.0000 | |
| 432 | L | B | 0.0000 | mutated: VL432B |
| 433 | N | B | -1.8859 | |
| 434 | E | B | -2.2722 | |
| 435 | K | B | -1.2720 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -1.4232 | |
| 438 | Q | B | -0.8107 | |
| 439 | S | B | 0.0000 | |
| 440 | L | B | 0.6526 | |
| 441 | A | B | -0.2430 | |
| 442 | W | B | -0.2029 | |
| 443 | I | B | -0.4326 | |
| 444 | R | B | -1.8760 | |
| 445 | K | B | -1.5787 | |
| 446 | F | B | -1.0892 | |
| 447 | D | B | -2.7697 | |
| 448 | E | B | -2.7769 | |
| 449 | L | B | -0.7505 | |
| 450 | L | B | -0.5496 | |
| 451 | H | B | -1.3389 | |
| 1 | Q | C | -2.2354 | |
| 2 | N | C | -2.5931 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.5497 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.0787 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | -0.3953 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | -1.4906 | |
| 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 | -1.7131 | |
| 18 | G | C | -1.2503 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.5318 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.1086 | |
| 26 | G | C | 0.2476 | |
| 27 | W | C | 0.4904 | |
| 28 | Y | C | 0.5093 | |
| 29 | T | C | 0.0000 | |
| 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 | -0.8465 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.3890 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | -3.4860 | |
| 41 | E | C | -2.8027 | |
| 42 | P | C | 0.0000 | |
| 43 | K | C | -2.9980 | |
| 44 | C | C | -2.6745 | |
| 45 | N | C | -2.3975 | |
| 46 | G | C | -1.7902 | |
| 47 | T | C | -1.5606 | |
| 48 | D | C | -2.1718 | |
| 49 | A | C | -1.3784 | |
| 50 | K | C | -1.2572 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.5305 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.3688 | |
| 56 | Q | C | -1.4640 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.9674 | |
| 60 | K | C | -1.8214 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.0492 | |
| 63 | N | C | -1.4805 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.7043 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.9749 | |
| 70 | L | C | -0.4502 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.6300 | |
| 73 | Q | C | -1.2383 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | 0.0000 | |
| 76 | P | C | -0.2336 | |
| 77 | A | C | -0.3704 | |
| 78 | A | C | -0.0485 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | -0.2105 | |
| 82 | G | C | -0.2492 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.1818 | |
| 85 | I | C | 0.3593 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | -0.1021 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | -0.5223 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -0.8717 | |
| 94 | C | C | -0.4349 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -0.3668 | |
| 97 | L | C | 0.2856 | |
| 98 | E | C | -1.5579 | |
| 99 | G | C | -1.1533 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | -1.1389 | |
| 102 | N | C | -2.0233 | |
| 103 | K | C | -1.3975 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -0.8730 | |
| 106 | S | C | -0.5057 | |
| 107 | A | C | -0.0361 | |
| 108 | L | C | 0.6607 | |
| 109 | L | C | 0.0000 | |
| 110 | S | C | -0.1306 | |
| 111 | T | C | -0.1387 | |
| 112 | N | C | -0.3594 | |
| 113 | K | C | -1.0862 | |
| 114 | A | C | 0.0789 | |
| 115 | V | C | 1.2476 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -0.0993 | |
| 118 | L | C | -0.2693 | |
| 119 | S | C | -0.4518 | |
| 120 | C | C | -0.7735 | |
| 121 | G | C | -1.0251 | |
| 122 | V | C | -0.0813 | |
| 123 | S | C | 0.3972 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.5702 | |
| 126 | V | C | 0.0000 | mutated: TV126C |
| 127 | I | C | 0.0000 | mutated: SI127C |
| 128 | I | C | 0.0373 | mutated: KI128C |
| 129 | V | C | 0.1362 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -0.6325 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.1145 | |
| 134 | N | C | -1.8463 | |
| 135 | Y | C | -1.2388 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.4890 | |
| 138 | K | C | -2.3527 | |
| 139 | Q | C | -1.2352 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.7852 | |
| 142 | P | C | -1.5686 | |
| 143 | I | C | -1.2049 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.6292 | |
| 146 | K | C | -2.7323 | |
| 147 | Q | C | -2.2132 | |
| 148 | S | C | -1.0977 | |
| 149 | C | C | -0.2356 | |
| 150 | S | C | -0.3842 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | N | C | -0.4102 | |
| 154 | I | C | -0.2113 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | 0.0000 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.5020 | |
| 162 | Q | C | 0.0000 | |
| 163 | K | C | -0.4131 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.6097 | |
| 166 | R | C | -0.5633 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.4983 | |
| 169 | E | C | -0.5929 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.6473 | |
| 173 | E | C | -0.5959 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.3976 | |
| 177 | N | C | -0.7997 | |
| 178 | A | C | -0.3121 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.1546 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.0259 | |
| 183 | P | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.0507 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.0752 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.1476 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.5644 | |
| 193 | E | C | -0.7254 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.8004 | |
| 196 | S | C | -1.0306 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.4105 | |
| 200 | D | C | -2.3468 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.9286 | |
| 203 | I | C | -1.0613 | |
| 204 | T | C | -1.3997 | |
| 205 | N | C | -2.5234 | |
| 206 | D | C | -2.5689 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.8428 | |
| 209 | K | C | -2.6797 | |
| 210 | L | C | 0.0000 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.1128 | |
| 213 | N | C | -0.7573 | |
| 214 | N | C | 0.0000 | |
| 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 | -0.3223 | |
| 221 | Q | C | -0.2343 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.2807 | |
| 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 | -0.9200 | |
| 230 | K | C | -1.6423 | |
| 231 | E | C | -2.3768 | |
| 232 | E | C | -1.8049 | |
| 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 | 0.5447 | |
| 243 | Y | C | 0.3523 | |
| 244 | G | C | 0.0848 | |
| 245 | V | C | 0.0344 | |
| 246 | I | C | -0.2806 | |
| 247 | D | C | -1.1140 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.7703 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.5947 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | -0.3006 | |
| 255 | T | C | -0.1029 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.0385 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | -0.4645 | |
| 260 | T | C | 0.0000 | |
| 261 | T | C | -1.2432 | |
| 262 | N | C | -1.8108 | |
| 263 | T | C | -1.1307 | |
| 264 | K | C | -1.1243 | |
| 265 | E | C | -1.0175 | |
| 266 | G | C | -1.1635 | |
| 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 | -0.0217 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -0.6120 | |
| 275 | D | C | -1.0111 | |
| 276 | R | C | 0.0000 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.8138 | |
| 282 | N | C | -0.6561 | |
| 283 | A | C | -0.4279 | |
| 284 | G | C | -0.7206 | |
| 285 | S | C | -0.6719 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | -0.1187 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.2038 | |
| 291 | Q | C | -1.8874 | |
| 292 | A | C | 0.0000 | |
| 293 | E | C | -2.2938 | |
| 294 | T | C | -1.3117 | |
| 295 | C | C | -0.6342 | |
| 296 | K | C | 0.0000 | |
| 297 | V | C | -0.0322 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.6417 | |
| 300 | N | C | -0.8210 | |
| 301 | R | C | -0.5758 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.5323 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.5920 | |
| 308 | N | C | -1.3790 | |
| 309 | S | C | -0.4545 | |
| 310 | L | C | 0.0311 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.4340 | |
| 314 | P | C | -0.1449 | |
| 315 | E | C | 0.1661 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.0252 | |
| 318 | L | C | 0.9415 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.4736 | |
| 321 | V | C | 0.0000 | |
| 322 | D | C | -1.2066 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 1.4310 | |
| 325 | N | C | 0.3651 | |
| 326 | P | C | 0.2497 | |
| 327 | K | C | 0.0258 | |
| 328 | Y | C | 0.4268 | |
| 329 | D | C | -0.0998 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.4531 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.2594 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | -0.0821 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | 0.0000 | |
| 338 | D | C | -0.3440 | |
| 339 | V | C | 0.0789 | |
| 340 | S | C | -0.3237 | |
| 341 | S | C | 0.0382 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.7867 | |
| 344 | I | C | 0.0000 | |
| 345 | T | C | 0.0000 | |
| 346 | S | C | 0.0000 | |
| 347 | L | C | -1.5159 | |
| 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 | 0.0000 | |
| 355 | G | C | -1.2566 | |
| 356 | K | C | -0.9086 | |
| 357 | T | C | -1.3952 | |
| 358 | K | C | -1.8058 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.3971 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.1817 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.2758 | |
| 365 | N | C | -2.9674 | |
| 366 | R | C | -2.8686 | |
| 367 | G | C | -1.4131 | |
| 368 | I | C | 0.3671 | |
| 369 | I | C | 1.8310 | |
| 370 | K | C | 1.2264 | |
| 371 | T | C | 0.9681 | |
| 372 | F | C | 1.2812 | |
| 373 | S | C | -0.3377 | |
| 374 | N | C | -0.8968 | |
| 375 | G | C | -0.7191 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.6265 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | -0.1187 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -2.1763 | |
| 382 | K | C | -3.1858 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.1511 | |
| 386 | T | C | 0.0000 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.4766 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -1.3417 | |
| 391 | N | C | -1.5055 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.0290 | |
| 394 | Y | C | 0.3502 | |
| 395 | Y | C | 0.1472 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.6804 | |
| 399 | Q | C | -2.1434 | |
| 400 | E | C | -3.1224 | |
| 401 | G | C | -2.9291 | |
| 402 | K | C | -2.7094 | |
| 403 | S | C | -0.6754 | |
| 404 | L | C | 0.9799 | |
| 405 | Y | C | 0.8645 | |
| 406 | V | C | 0.0322 | |
| 407 | K | C | -1.8411 | |
| 408 | G | C | -1.9473 | |
| 409 | E | C | -2.5478 | |
| 410 | P | C | -1.3287 | |
| 411 | I | C | 0.2467 | |
| 412 | I | C | 0.0000 | |
| 413 | N | C | -0.5259 | |
| 414 | F | C | 1.5764 | |
| 415 | Y | C | 1.6153 | |
| 416 | D | C | -0.3320 | |
| 417 | P | C | 0.5223 | |
| 418 | L | C | 1.2341 | |
| 419 | V | C | 0.0000 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | -0.3086 | |
| 422 | S | C | -0.0805 | |
| 423 | D | C | 0.0000 | |
| 424 | L | C | 0.0000 | mutated: EL424C |
| 425 | F | C | 0.3348 | |
| 426 | D | C | -0.0192 | |
| 427 | T | C | 0.0000 | mutated: AT427C |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -0.0609 | |
| 431 | Q | C | 0.0000 | |
| 432 | L | C | 0.0000 | mutated: VL432C |
| 433 | N | C | -0.0916 | |
| 434 | E | C | -0.9848 | |
| 435 | K | C | 0.0000 | |
| 436 | I | C | 0.2175 | |
| 437 | N | C | -0.4495 | |
| 438 | Q | C | -0.6041 | |
| 439 | S | C | 0.0000 | |
| 440 | L | C | 0.1931 | |
| 441 | A | C | -0.4492 | |
| 442 | W | C | -0.3333 | |
| 443 | I | C | -0.8332 | |
| 444 | R | C | -2.6731 | |
| 445 | K | C | -2.0798 | |
| 446 | F | C | -1.4975 | |
| 447 | D | C | -3.0539 | |
| 448 | E | C | -3.0200 | |
| 449 | L | C | -0.9748 | |
| 450 | L | C | 0.3282 | |
| 451 | H | C | -1.1826 |
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, -0.4954 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_7 | -0.4954 | View | CSV | PDB |
| model_0 | -0.4954 | View | CSV | PDB |
| model_2 | -0.4956 | View | CSV | PDB |
| model_5 | -0.4994 | View | CSV | PDB |
| model_4 | -0.5012 | View | CSV | PDB |
| model_10 | -0.5128 | View | CSV | PDB |
| model_8 | -0.517 | View | CSV | PDB |
| model_3 | -0.5175 | View | CSV | PDB |
| CABS_average | -0.5183 | View | CSV | PDB |
| model_9 | -0.5311 | View | CSV | PDB |
| model_11 | -0.5493 | View | CSV | PDB |
| model_1 | -0.5517 | View | CSV | PDB |
| model_6 | -0.5529 | View | CSV | PDB |
| input | -0.6407 | 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