Project name: RSV_189V190I191I [mutate: TV126A, SI127A, KI128A, TV126C, SI127C, KI128C, TV126B, SI127B, KI128B]
Status: done
Started: 2025-12-11 15:17:46
| 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 | KI128A,KI128C,SI127B,TV126B,KI128B,TV126C,SI127C,TV126A,SI127A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -9.33794 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 (00:42:39)
[INFO] CABS: Running CABS flex simulation (00:46:43)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:18:32)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:19:02)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:19:33)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:20:03)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:20:33)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:21:03)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:21:33)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:22:04)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:22:34)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:23:06)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:23:35)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:24:05)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:24:36)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:25:39)
[INFO] Main: Simulation completed successfully. (10:26:09)
|
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
- -3.5506
- Maximal score value
- 2.0467
- Average score
- -0.4977
- Total score value
- -673.407
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 | -2.0842 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | -0.9137 | |
| 4 | T | A | -1.0459 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.0066 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.0284 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -0.2961 | |
| 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 | -0.9132 | |
| 18 | G | A | -0.5235 | |
| 19 | Y | A | -0.1496 | |
| 20 | L | A | -0.3854 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.4265 | |
| 26 | G | A | 0.2794 | |
| 27 | W | A | 0.4608 | |
| 28 | Y | A | 0.5196 | |
| 29 | T | A | 0.3472 | |
| 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 | -1.2079 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | N | A | 0.0000 | |
| 39 | I | A | 0.6332 | |
| 40 | K | A | -1.0690 | |
| 41 | E | A | -1.9938 | |
| 42 | P | A | -1.9408 | |
| 43 | K | A | -2.7702 | |
| 44 | C | A | -1.9632 | |
| 45 | N | A | -1.7806 | |
| 46 | G | A | -1.5200 | |
| 47 | T | A | -1.2267 | |
| 48 | D | A | -1.1199 | |
| 49 | A | A | -1.0528 | |
| 50 | K | A | -1.1488 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.9427 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.2441 | |
| 56 | Q | A | -1.3359 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -1.7002 | |
| 60 | K | A | -1.1037 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -1.0727 | |
| 63 | N | A | -0.8697 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.1952 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.7269 | |
| 70 | L | A | -0.7429 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -1.4101 | |
| 74 | S | A | -0.8620 | |
| 75 | T | A | -0.4781 | |
| 76 | P | A | -0.3318 | |
| 77 | A | A | -0.1845 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | -0.6785 | |
| 82 | G | A | -0.4267 | |
| 83 | S | A | 0.0000 | |
| 84 | A | A | 0.2153 | |
| 85 | I | A | 0.4566 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | -0.1745 | |
| 90 | A | A | -0.6607 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -1.4018 | |
| 94 | C | A | -0.3377 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.8246 | |
| 97 | L | A | -0.0713 | |
| 98 | E | A | -1.7215 | |
| 99 | G | A | -1.6869 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | -1.5058 | |
| 102 | N | A | -2.5197 | |
| 103 | K | A | -2.6249 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.7571 | |
| 106 | S | A | -0.9816 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.0869 | |
| 110 | S | A | -0.3299 | |
| 111 | T | A | -0.8435 | |
| 112 | N | A | -1.7591 | |
| 113 | K | A | -1.3391 | |
| 114 | A | A | 0.2194 | |
| 115 | V | A | 1.6238 | |
| 116 | V | A | 0.5351 | |
| 117 | S | A | 0.1617 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | 0.0184 | |
| 120 | C | A | 0.2822 | |
| 121 | G | A | -0.5967 | |
| 122 | V | A | 0.0443 | |
| 123 | S | A | 0.4169 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.7732 | |
| 126 | V | A | 0.0000 | mutated: TV126A |
| 127 | I | A | 0.0000 | mutated: SI127A |
| 128 | I | A | -0.3883 | mutated: KI128A |
| 129 | V | A | -0.1108 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.9958 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.2026 | |
| 134 | N | A | -2.5636 | |
| 135 | Y | A | -1.6742 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.4065 | |
| 138 | K | A | -2.4557 | |
| 139 | Q | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.3730 | |
| 142 | P | A | -1.4437 | |
| 143 | I | A | -0.8774 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.4428 | |
| 146 | K | A | -2.5004 | |
| 147 | Q | A | -2.0548 | |
| 148 | S | A | -0.9420 | |
| 149 | C | A | 0.0037 | |
| 150 | S | A | -0.3900 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | N | A | -1.2561 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.7525 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.5823 | |
| 162 | Q | A | -0.5708 | |
| 163 | K | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -1.0715 | |
| 166 | R | A | -0.7904 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -0.8831 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.8427 | |
| 173 | E | A | -0.7458 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.3145 | |
| 177 | N | A | -0.8362 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.0507 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.2190 | |
| 183 | P | A | -0.1493 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | -0.0200 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.1564 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.0539 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.0860 | |
| 193 | E | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.0388 | |
| 196 | S | A | -0.8944 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.4351 | |
| 200 | D | A | -2.5324 | |
| 201 | M | A | -1.2877 | |
| 202 | P | A | -1.1309 | |
| 203 | I | A | -1.1376 | |
| 204 | T | A | -1.7506 | |
| 205 | N | A | -3.0390 | |
| 206 | D | A | -3.1128 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.3970 | |
| 209 | K | A | -2.5171 | |
| 210 | L | A | -1.3000 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -0.6897 | |
| 213 | N | A | -0.5386 | |
| 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 | -0.4722 | |
| 221 | Q | A | -0.6841 | |
| 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 | -0.1386 | |
| 229 | I | A | -0.3080 | |
| 230 | K | A | -1.3350 | |
| 231 | E | A | -1.9295 | |
| 232 | E | A | -1.6045 | |
| 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 | 0.1467 | |
| 245 | V | A | 0.2963 | |
| 246 | I | A | -0.2780 | |
| 247 | D | A | -1.6535 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.5037 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.3271 | |
| 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 | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.8768 | |
| 261 | T | A | 0.0000 | |
| 262 | N | A | -2.1185 | |
| 263 | T | A | -1.5124 | |
| 264 | K | A | -1.5779 | |
| 265 | E | A | -1.9020 | |
| 266 | G | A | -1.5026 | |
| 267 | S | A | -1.5163 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.0557 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -0.9049 | |
| 275 | D | A | -1.6833 | |
| 276 | R | A | -1.7130 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.8048 | |
| 282 | N | A | 0.0000 | |
| 283 | A | A | -0.4263 | |
| 284 | G | A | -0.6297 | |
| 285 | S | A | -0.6010 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.3850 | |
| 291 | Q | A | -2.2613 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.2487 | |
| 294 | T | A | -1.2405 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -0.7148 | |
| 297 | V | A | -0.3712 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.7497 | |
| 300 | N | A | -0.5236 | |
| 301 | R | A | -0.7829 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | 0.2286 | |
| 308 | N | A | -0.8435 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | -0.2022 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.3445 | |
| 314 | P | A | -0.3859 | |
| 315 | E | A | -0.5020 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.9945 | |
| 318 | L | A | -0.3413 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -0.3536 | |
| 321 | V | A | 0.1081 | |
| 322 | D | A | 0.5047 | |
| 323 | I | A | 0.9510 | |
| 324 | F | A | 0.8965 | |
| 325 | N | A | -0.3138 | |
| 326 | P | A | -0.4560 | |
| 327 | K | A | -1.2908 | |
| 328 | Y | A | -0.1579 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.1619 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.3066 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.1307 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.1975 | |
| 340 | S | A | -0.0875 | |
| 341 | S | A | -0.0411 | |
| 342 | S | A | 0.0051 | |
| 343 | V | A | 0.1729 | |
| 344 | I | A | 0.2518 | |
| 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 | -1.8275 | |
| 356 | K | A | -1.7587 | |
| 357 | T | A | -1.6057 | |
| 358 | K | A | -2.1669 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.0378 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.0827 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -2.3161 | |
| 365 | N | A | -3.0778 | |
| 366 | R | A | -2.7874 | |
| 367 | G | A | -1.0260 | |
| 368 | I | A | 1.1262 | |
| 369 | I | A | 2.0273 | |
| 370 | K | A | 0.8486 | |
| 371 | T | A | 0.2511 | |
| 372 | F | A | -0.0838 | |
| 373 | S | A | -0.9892 | |
| 374 | N | A | -1.9446 | |
| 375 | G | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.7809 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | S | A | -0.6108 | |
| 381 | N | A | -1.7564 | |
| 382 | K | A | -2.8484 | |
| 383 | G | A | -1.3985 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.3366 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.4116 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -1.1713 | |
| 391 | N | A | -0.5140 | |
| 392 | T | A | -0.4390 | |
| 393 | L | A | 0.0050 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.1189 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.9215 | |
| 399 | Q | A | 0.0000 | |
| 400 | E | A | -3.0420 | |
| 401 | G | A | -2.1981 | |
| 402 | K | A | -2.0170 | |
| 403 | S | A | -0.6916 | |
| 404 | L | A | 0.7974 | |
| 405 | Y | A | 0.7434 | |
| 406 | V | A | 0.1878 | |
| 407 | K | A | -1.5486 | |
| 408 | G | A | -1.4260 | |
| 409 | E | A | -1.6090 | |
| 410 | P | A | -0.4624 | |
| 411 | I | A | 0.8269 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | -1.1543 | |
| 414 | F | A | -0.4187 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -1.7355 | |
| 417 | P | A | -0.4926 | |
| 418 | L | A | 0.0212 | |
| 419 | V | A | 0.0000 | |
| 420 | F | A | 0.1399 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | E | A | 0.0000 | |
| 425 | F | A | 0.5095 | |
| 426 | D | A | 0.0847 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | -0.2986 | |
| 430 | S | A | -0.9878 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | -0.6371 | |
| 433 | N | A | -1.7525 | |
| 434 | E | A | -1.5479 | |
| 435 | K | A | 0.0000 | |
| 436 | I | A | -0.9152 | |
| 437 | N | A | -1.4778 | |
| 438 | Q | A | -0.5393 | |
| 439 | S | A | 0.0000 | |
| 440 | L | A | -0.0702 | |
| 441 | A | A | -0.7191 | |
| 442 | W | A | 0.0000 | |
| 443 | I | A | -0.9403 | |
| 444 | R | A | -2.8017 | |
| 445 | K | A | -2.5178 | |
| 446 | F | A | 0.0000 | |
| 447 | D | A | -3.2801 | |
| 448 | E | A | -2.9960 | |
| 449 | L | A | 0.0000 | |
| 450 | L | A | -0.1903 | |
| 451 | H | A | -1.7244 | |
| 1 | Q | B | -1.7681 | |
| 2 | N | B | -2.4736 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.1417 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.3024 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | -0.3819 | |
| 9 | Q | B | 0.0000 | |
| 10 | S | B | -1.5164 | |
| 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 | -0.5905 | |
| 18 | G | B | -0.5577 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.3541 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.1316 | |
| 26 | G | B | 0.2221 | |
| 27 | W | B | 0.4204 | |
| 28 | Y | B | 0.3532 | |
| 29 | T | B | 0.2952 | |
| 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 | -1.0966 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | -1.4462 | |
| 38 | N | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.9809 | |
| 41 | E | B | -2.8033 | |
| 42 | P | B | -2.9384 | |
| 43 | K | B | -3.5506 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.9186 | |
| 46 | G | B | -2.1877 | |
| 47 | T | B | -1.7653 | |
| 48 | D | B | -2.2738 | |
| 49 | A | B | -1.4141 | |
| 50 | K | B | -1.2267 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -1.9588 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.8705 | |
| 56 | Q | B | -1.9987 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.3508 | |
| 60 | K | B | -1.4291 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -1.7578 | |
| 63 | N | B | -1.0709 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | -0.7815 | |
| 66 | T | B | -0.6015 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.5246 | |
| 70 | L | B | -0.6327 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.6579 | |
| 73 | Q | B | -1.2154 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.4739 | |
| 76 | P | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.8536 | |
| 81 | G | B | -1.0084 | |
| 82 | G | B | -0.0799 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.2324 | |
| 85 | I | B | 0.3647 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | -0.0823 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.8022 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -2.1434 | |
| 94 | C | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.8513 | |
| 97 | L | B | -1.0528 | |
| 98 | E | B | -2.5753 | |
| 99 | G | B | -1.7950 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.5145 | |
| 103 | K | B | -2.1756 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.2838 | |
| 106 | S | B | -0.8307 | |
| 107 | A | B | -0.1838 | |
| 108 | L | B | 0.4326 | |
| 109 | L | B | 1.0561 | |
| 110 | S | B | 0.0761 | |
| 111 | T | B | -0.2153 | |
| 112 | N | B | -0.5258 | |
| 113 | K | B | -1.3692 | |
| 114 | A | B | 0.0000 | |
| 115 | V | B | 1.3594 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | 0.1182 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.0065 | |
| 120 | C | B | 0.4056 | |
| 121 | G | B | -0.2612 | |
| 122 | V | B | 0.1395 | |
| 123 | S | B | 0.3992 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.4373 | |
| 126 | V | B | 0.0000 | mutated: TV126B |
| 127 | I | B | 0.0000 | mutated: SI127B |
| 128 | I | B | 0.0000 | mutated: KI128B |
| 129 | V | B | 0.0964 | |
| 130 | L | B | -0.2940 | |
| 131 | D | B | -0.7420 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.1022 | |
| 134 | N | B | -2.7060 | |
| 135 | Y | B | 0.0000 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -3.0988 | |
| 138 | K | B | -3.0387 | |
| 139 | Q | B | -1.5549 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -2.1578 | |
| 142 | P | B | -1.6387 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.4934 | |
| 146 | K | B | -3.1163 | |
| 147 | Q | B | -2.1881 | |
| 148 | S | B | -1.1446 | |
| 149 | C | B | -0.5936 | |
| 150 | S | B | -1.1087 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.2534 | |
| 153 | N | B | -0.6308 | |
| 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 | -0.5810 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | 0.0000 | |
| 162 | Q | B | -0.5844 | |
| 163 | K | B | -0.7068 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.7390 | |
| 166 | R | B | -0.6965 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | 0.0000 | |
| 169 | E | B | -0.7861 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.6227 | |
| 173 | E | B | -0.6156 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.1620 | |
| 177 | N | B | -0.3309 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.1743 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.0632 | |
| 183 | P | B | -0.1658 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | -0.2388 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | -0.0330 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | 0.0330 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.1458 | |
| 193 | E | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.5002 | |
| 196 | S | B | -0.9761 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.2045 | |
| 200 | D | B | -2.4769 | |
| 201 | M | B | -1.2249 | |
| 202 | P | B | -1.0469 | |
| 203 | I | B | -1.0155 | |
| 204 | T | B | -1.5921 | |
| 205 | N | B | -2.7683 | |
| 206 | D | B | -2.5393 | |
| 207 | Q | B | -1.9446 | |
| 208 | K | B | -2.4086 | |
| 209 | K | B | -2.7983 | |
| 210 | L | B | -1.5882 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | 0.0000 | |
| 213 | N | B | -1.4533 | |
| 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 | -0.5490 | |
| 221 | Q | B | -0.4374 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2498 | |
| 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 | -1.5885 | |
| 230 | K | B | -2.7195 | |
| 231 | E | B | -2.1897 | |
| 232 | E | B | -1.6812 | |
| 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 | 0.2870 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.0335 | |
| 245 | V | B | -0.0697 | |
| 246 | I | B | -0.4190 | |
| 247 | D | B | -1.6032 | |
| 248 | T | B | -0.8478 | |
| 249 | P | B | -0.7582 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | 0.1008 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | 0.0000 | |
| 256 | S | B | -0.5308 | |
| 257 | P | B | -0.3743 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | 0.0000 | |
| 261 | T | B | -0.9167 | |
| 262 | N | B | -1.3451 | |
| 263 | T | B | -1.3223 | |
| 264 | K | B | -2.1236 | |
| 265 | E | B | -1.3495 | |
| 266 | G | B | 0.0000 | |
| 267 | S | B | -0.7490 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -1.1595 | |
| 275 | D | B | -2.1788 | |
| 276 | R | B | -1.5691 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -1.1992 | |
| 282 | N | B | -0.9078 | |
| 283 | A | B | -0.4995 | |
| 284 | G | B | -0.7472 | |
| 285 | S | B | -0.7144 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | -0.0149 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.3671 | |
| 291 | Q | B | -2.0941 | |
| 292 | A | B | -1.6168 | |
| 293 | E | B | -2.1916 | |
| 294 | T | B | 0.0000 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.7944 | |
| 297 | V | B | -0.4405 | |
| 298 | Q | B | -0.4839 | |
| 299 | S | B | -0.8144 | |
| 300 | N | B | -0.9383 | |
| 301 | R | B | -1.1158 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.8270 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.2363 | |
| 308 | N | B | -1.0082 | |
| 309 | S | B | 0.0000 | |
| 310 | L | B | 0.5646 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.3495 | |
| 314 | P | B | -0.3547 | |
| 315 | E | B | 0.0000 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -0.4886 | |
| 318 | L | B | 0.0627 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.5075 | |
| 321 | V | B | -0.2494 | |
| 322 | D | B | -1.3978 | |
| 323 | I | B | 0.0000 | |
| 324 | F | B | 0.9466 | |
| 325 | N | B | -0.0959 | |
| 326 | P | B | -0.5555 | |
| 327 | K | B | -1.8038 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.5798 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.0726 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | 0.0000 | |
| 338 | D | B | -0.6859 | |
| 339 | V | B | 0.0000 | |
| 340 | S | B | -0.5211 | |
| 341 | S | B | -0.4701 | |
| 342 | S | B | 0.0000 | |
| 343 | V | B | 0.1409 | |
| 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 | 0.0000 | |
| 355 | G | B | -1.4713 | |
| 356 | K | B | -1.2337 | |
| 357 | T | B | 0.0000 | |
| 358 | K | B | -2.1106 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | 0.0802 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | 0.3330 | |
| 363 | N | B | -1.2927 | |
| 364 | K | B | -2.6616 | |
| 365 | N | B | -2.8639 | |
| 366 | R | B | -2.7003 | |
| 367 | G | B | -1.0591 | |
| 368 | I | B | 1.4697 | |
| 369 | I | B | 2.0467 | |
| 370 | K | B | 0.6750 | |
| 371 | T | B | -0.0757 | |
| 372 | F | B | 0.0000 | |
| 373 | S | B | -1.0199 | |
| 374 | N | B | -1.2150 | |
| 375 | G | B | -1.1404 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -0.8680 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0015 | |
| 380 | S | B | -0.6916 | |
| 381 | N | B | -1.4139 | |
| 382 | K | B | -1.9909 | |
| 383 | G | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | 0.2970 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.8217 | |
| 391 | N | B | -0.2974 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.9521 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.3533 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -2.5769 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -3.1384 | |
| 401 | G | B | -2.4366 | |
| 402 | K | B | -2.0305 | |
| 403 | S | B | -0.2962 | |
| 404 | L | B | 1.3322 | |
| 405 | Y | B | 1.0439 | |
| 406 | V | B | 0.1184 | |
| 407 | K | B | -1.7989 | |
| 408 | G | B | -2.2700 | |
| 409 | E | B | -2.7172 | |
| 410 | P | B | -1.6078 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | 0.0000 | |
| 413 | N | B | -1.7667 | |
| 414 | F | B | -0.6795 | |
| 415 | Y | B | -0.3044 | |
| 416 | D | B | -1.7030 | |
| 417 | P | B | -0.3518 | |
| 418 | L | B | 0.0000 | |
| 419 | V | B | 1.7086 | |
| 420 | F | B | 1.2051 | |
| 421 | P | B | 0.3331 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | 0.0000 | |
| 424 | E | B | 0.3751 | |
| 425 | F | B | 0.9129 | |
| 426 | D | B | -0.0344 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | 0.0000 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -0.4692 | |
| 434 | E | B | -0.8056 | |
| 435 | K | B | 0.0000 | |
| 436 | I | B | 0.0973 | |
| 437 | N | B | -0.6213 | |
| 438 | Q | B | -0.5125 | |
| 439 | S | B | 0.0000 | |
| 440 | L | B | 1.0587 | |
| 441 | A | B | -0.3861 | |
| 442 | W | B | -0.1920 | |
| 443 | I | B | -0.2364 | |
| 444 | R | B | -1.9567 | |
| 445 | K | B | -1.8914 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -2.4599 | |
| 448 | E | B | -2.8278 | |
| 449 | L | B | -1.4483 | |
| 450 | L | B | -1.2376 | |
| 451 | H | B | -1.5163 | |
| 1 | Q | C | -0.2916 | |
| 2 | N | C | 0.0000 | |
| 3 | I | C | 1.3025 | |
| 4 | T | C | 0.2126 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.0591 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | -0.6403 | |
| 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 | -0.1975 | |
| 18 | G | C | 0.2316 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.1434 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | -0.1681 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.0682 | |
| 26 | G | C | 0.0000 | |
| 27 | W | C | 0.0000 | |
| 28 | Y | C | 0.6168 | |
| 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 | 0.0000 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.9527 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | -3.3233 | |
| 41 | E | C | -2.9935 | |
| 42 | P | C | -2.1101 | |
| 43 | K | C | -2.4754 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -2.6060 | |
| 46 | G | C | -2.1092 | |
| 47 | T | C | -1.7063 | |
| 48 | D | C | -2.1406 | |
| 49 | A | C | -1.3879 | |
| 50 | K | C | 0.0000 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.9870 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.0075 | |
| 56 | Q | C | -1.3155 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.2989 | |
| 60 | K | C | -1.3367 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.3173 | |
| 63 | N | C | -1.4491 | |
| 64 | A | C | -0.9330 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.8696 | |
| 67 | E | C | -0.5875 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.2087 | |
| 70 | L | C | -0.2415 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.6273 | |
| 73 | Q | C | -1.2427 | |
| 74 | S | C | -0.6827 | |
| 75 | T | C | -0.4620 | |
| 76 | P | C | -0.0822 | |
| 77 | A | C | -0.4832 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | -0.3982 | |
| 82 | G | C | -0.6248 | |
| 83 | S | C | -0.0113 | |
| 84 | A | C | 0.0268 | |
| 85 | I | C | 0.3792 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.0000 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | -0.2222 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | -0.7334 | |
| 93 | K | C | -1.7651 | |
| 94 | C | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.1690 | |
| 97 | L | C | -0.3613 | |
| 98 | E | C | -1.9660 | |
| 99 | G | C | -1.6183 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.2447 | |
| 103 | K | C | -1.7678 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.3461 | |
| 106 | S | C | -0.9257 | |
| 107 | A | C | -0.5007 | |
| 108 | L | C | 0.0000 | |
| 109 | L | C | -0.1286 | |
| 110 | S | C | -0.5011 | |
| 111 | T | C | -0.8477 | |
| 112 | N | C | -1.6465 | |
| 113 | K | C | -1.7649 | |
| 114 | A | C | -0.1355 | |
| 115 | V | C | 1.2168 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | 0.0789 | |
| 118 | L | C | 0.0002 | |
| 119 | S | C | -0.6609 | |
| 120 | C | C | 0.0000 | |
| 121 | G | C | -1.5106 | |
| 122 | V | C | -0.2725 | |
| 123 | S | C | 0.3227 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.5444 | |
| 126 | V | C | 0.0000 | mutated: TV126C |
| 127 | I | C | 0.0000 | mutated: SI127C |
| 128 | I | C | -0.3465 | mutated: KI128C |
| 129 | V | C | 0.0676 | |
| 130 | L | C | 0.1632 | |
| 131 | D | C | -0.2590 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.1100 | |
| 134 | N | C | -1.9024 | |
| 135 | Y | C | -0.9540 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.7528 | |
| 138 | K | C | -2.3987 | |
| 139 | Q | C | -1.1528 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.1795 | |
| 142 | P | C | -1.4384 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.6131 | |
| 146 | K | C | -2.5550 | |
| 147 | Q | C | -2.9947 | |
| 148 | S | C | -2.0452 | |
| 149 | C | C | 0.0000 | |
| 150 | S | C | -0.8858 | |
| 151 | I | C | -0.2434 | |
| 152 | P | C | -0.5224 | |
| 153 | N | C | -0.7266 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.6333 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.6717 | |
| 162 | Q | C | -0.8435 | |
| 163 | K | C | 0.0000 | |
| 164 | N | C | -0.8539 | |
| 165 | N | C | -1.2031 | |
| 166 | R | C | -0.8122 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.3937 | |
| 169 | E | C | 0.0000 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.3385 | |
| 173 | E | C | -0.1970 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | 0.2267 | |
| 177 | N | C | -0.1233 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.3735 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.0758 | |
| 183 | P | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | -0.1125 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.0610 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.2894 | |
| 193 | E | C | -0.3074 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.5008 | |
| 196 | S | C | -0.7915 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.2191 | |
| 200 | D | C | -1.3251 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.4737 | |
| 203 | I | C | -0.7011 | |
| 204 | T | C | -1.6415 | |
| 205 | N | C | -3.0500 | |
| 206 | D | C | -3.1811 | |
| 207 | Q | C | -2.1659 | |
| 208 | K | C | -2.3886 | |
| 209 | K | C | -2.9877 | |
| 210 | L | C | -1.7573 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.2785 | |
| 213 | N | C | -0.8790 | |
| 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 | -0.5562 | |
| 221 | Q | C | -0.4761 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.0000 | |
| 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 | -1.4742 | |
| 230 | K | C | -2.8031 | |
| 231 | E | C | -3.4005 | |
| 232 | E | C | -2.3167 | |
| 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 | 0.4020 | |
| 243 | Y | C | 0.2302 | |
| 244 | G | C | 0.0648 | |
| 245 | V | C | 0.0520 | |
| 246 | I | C | -0.1821 | |
| 247 | D | C | -1.0058 | |
| 248 | T | C | -0.5615 | |
| 249 | P | C | -0.5366 | |
| 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 | -0.3172 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | 0.0000 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.0727 | |
| 261 | T | C | -0.8029 | |
| 262 | N | C | -1.4685 | |
| 263 | T | C | -1.2335 | |
| 264 | K | C | -1.0995 | |
| 265 | E | C | 0.0000 | |
| 266 | G | C | -1.0888 | |
| 267 | S | C | -1.0949 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | 0.1310 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -0.5664 | |
| 275 | D | C | 0.0000 | |
| 276 | R | C | -2.3584 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.7726 | |
| 282 | N | C | -0.6396 | |
| 283 | A | C | -0.4291 | |
| 284 | G | C | -0.9150 | |
| 285 | S | C | -0.8419 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | -0.9192 | |
| 290 | P | C | -1.5396 | |
| 291 | Q | C | -2.5084 | |
| 292 | A | C | -2.1043 | |
| 293 | E | C | -2.6925 | |
| 294 | T | C | -1.5743 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -1.0548 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.5373 | |
| 300 | N | C | -0.9822 | |
| 301 | R | C | -0.8672 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.6892 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.3976 | |
| 308 | N | C | -1.4942 | |
| 309 | S | C | -0.6338 | |
| 310 | L | C | -0.0673 | |
| 311 | T | C | -0.5424 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.9387 | |
| 314 | P | C | -0.9622 | |
| 315 | E | C | -1.4821 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.6616 | |
| 318 | L | C | 0.5521 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.9437 | |
| 321 | V | C | -0.3446 | |
| 322 | D | C | -1.2911 | |
| 323 | I | C | -0.0084 | |
| 324 | F | C | 0.0000 | |
| 325 | N | C | 0.0000 | |
| 326 | P | C | 0.0000 | |
| 327 | K | C | -1.2282 | |
| 328 | Y | C | 0.0000 | |
| 329 | D | C | -0.3689 | |
| 330 | C | C | -0.3221 | |
| 331 | K | C | -0.4398 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.3454 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.0285 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.3429 | |
| 338 | D | C | -0.2994 | |
| 339 | V | C | 0.2573 | |
| 340 | S | C | 0.0793 | |
| 341 | S | C | 0.3051 | |
| 342 | S | C | 0.3711 | |
| 343 | V | C | 0.2602 | |
| 344 | I | C | 0.2766 | |
| 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 | -0.5688 | |
| 355 | G | C | -0.9647 | |
| 356 | K | C | 0.0000 | |
| 357 | T | C | -0.8087 | |
| 358 | K | C | -1.3162 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.1805 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.1764 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.5503 | |
| 365 | N | C | -2.7025 | |
| 366 | R | C | -2.5017 | |
| 367 | G | C | -1.2280 | |
| 368 | I | C | 0.2863 | |
| 369 | I | C | 1.6398 | |
| 370 | K | C | 0.8821 | |
| 371 | T | C | 0.4691 | |
| 372 | F | C | 0.6327 | |
| 373 | S | C | -0.3703 | |
| 374 | N | C | -0.8821 | |
| 375 | G | C | 0.0000 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -1.0744 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | -0.1541 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -1.8343 | |
| 382 | K | C | -2.2700 | |
| 383 | G | C | -2.1748 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | T | C | -0.2535 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.1996 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.7674 | |
| 391 | N | C | -0.2413 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.4203 | |
| 394 | Y | C | 0.5574 | |
| 395 | Y | C | 0.3494 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.6751 | |
| 399 | Q | C | -0.9823 | |
| 400 | E | C | -1.0201 | |
| 401 | G | C | -0.8859 | |
| 402 | K | C | -1.4800 | |
| 403 | S | C | -0.3991 | |
| 404 | L | C | 0.8584 | |
| 405 | Y | C | 0.7621 | |
| 406 | V | C | 0.5869 | |
| 407 | K | C | -1.3017 | |
| 408 | G | C | -1.5595 | |
| 409 | E | C | -1.9666 | |
| 410 | P | C | 0.0000 | |
| 411 | I | C | 1.4047 | |
| 412 | I | C | 0.0000 | |
| 413 | N | C | -0.7631 | |
| 414 | F | C | -0.2514 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -0.6256 | |
| 417 | P | C | -0.6470 | |
| 418 | L | C | 0.0000 | |
| 419 | V | C | -0.0871 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | -0.1682 | |
| 422 | S | C | 0.0000 | |
| 423 | D | C | 0.0000 | |
| 424 | E | C | 0.0000 | |
| 425 | F | C | 0.0000 | |
| 426 | D | C | -0.1121 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | -0.2468 | |
| 430 | S | C | -1.0083 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.8391 | |
| 434 | E | C | -1.5873 | |
| 435 | K | C | 0.0000 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.5411 | |
| 438 | Q | C | -0.8237 | |
| 439 | S | C | 0.0000 | |
| 440 | L | C | 0.0479 | |
| 441 | A | C | -0.6687 | |
| 442 | W | C | -0.7126 | |
| 443 | I | C | -1.0228 | |
| 444 | R | C | -2.6864 | |
| 445 | K | C | -2.0369 | |
| 446 | F | C | 0.0000 | |
| 447 | D | C | -2.9452 | |
| 448 | E | C | -2.8004 | |
| 449 | L | C | -0.8940 | |
| 450 | L | C | 0.0137 | |
| 451 | H | C | -1.2826 |
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, -0.4977 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_1 | -0.4977 | View | CSV | PDB |
| model_0 | -0.4996 | View | CSV | PDB |
| model_3 | -0.5065 | View | CSV | PDB |
| model_2 | -0.515 | View | CSV | PDB |
| model_5 | -0.5267 | View | CSV | PDB |
| model_6 | -0.5341 | View | CSV | PDB |
| model_4 | -0.5345 | View | CSV | PDB |
| CABS_average | -0.5388 | View | CSV | PDB |
| model_8 | -0.5549 | View | CSV | PDB |
| model_9 | -0.5644 | View | CSV | PDB |
| model_10 | -0.5678 | View | CSV | PDB |
| model_7 | -0.5759 | View | CSV | PDB |
| model_11 | -0.5879 | View | CSV | PDB |
| input | -0.6392 | 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