Project name: PBP2A_dynamic
Status: done
Started: 2026-02-06 16:52:10
| Chain sequence(s) |
A: DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLEKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNKNLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE
B: DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIENLKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLEKATSHLLGYVGPINSEELKQKEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTEDKKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQILDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKGRQIGWFISYDKDNPNMMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| 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 (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:47:02)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:14:18)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:14:43)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:15:08)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:15:33)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:15:58)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:16:24)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:16:49)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:17:14)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:17:40)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:18:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:18:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:18:56)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:19:21)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:20:12)
[INFO] Main: Simulation completed successfully. (08:20:35)
|
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
- -4.5522
- Maximal score value
- 1.9022
- Average score
- -0.952
- Total score value
- -1199.4584
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 |
|---|---|---|---|---|
| 27 | D | A | -3.0354 | |
| 28 | K | A | -3.4125 | |
| 29 | E | A | -2.6938 | |
| 30 | I | A | 0.0000 | |
| 31 | N | A | -3.1914 | |
| 32 | N | A | -3.1729 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | -2.3144 | |
| 35 | D | A | -3.1845 | |
| 36 | A | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | E | A | -2.5542 | |
| 39 | D | A | -3.0770 | |
| 40 | K | A | -2.4042 | |
| 41 | N | A | -2.9334 | |
| 42 | F | A | 0.0000 | |
| 43 | K | A | -3.1823 | |
| 44 | Q | A | -3.5283 | |
| 45 | V | A | 0.0000 | |
| 46 | Y | A | -2.3620 | |
| 47 | K | A | -2.9429 | |
| 48 | D | A | -1.6095 | |
| 49 | S | A | 0.0000 | |
| 50 | S | A | 0.2948 | |
| 51 | Y | A | 1.4296 | |
| 52 | I | A | 1.9022 | |
| 53 | S | A | 0.0000 | |
| 54 | K | A | -1.0960 | |
| 55 | S | A | -0.3945 | |
| 56 | D | A | -1.7024 | |
| 57 | N | A | -1.5416 | |
| 58 | G | A | -1.5200 | |
| 59 | E | A | -2.3983 | |
| 60 | V | A | -0.2618 | |
| 61 | E | A | -1.4550 | |
| 62 | M | A | 0.0000 | |
| 63 | T | A | -1.2760 | |
| 64 | E | A | -1.0870 | |
| 65 | R | A | -0.7980 | |
| 66 | P | A | 0.0000 | |
| 67 | I | A | 0.3812 | |
| 68 | K | A | -0.9798 | |
| 69 | I | A | 0.0000 | |
| 70 | Y | A | -0.3233 | |
| 71 | N | A | -1.0379 | |
| 72 | S | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | G | A | -0.9216 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -2.2279 | |
| 77 | D | A | -1.9334 | |
| 78 | I | A | 0.0000 | |
| 79 | N | A | -2.2545 | |
| 80 | I | A | -1.9321 | |
| 81 | Q | A | -2.5238 | |
| 82 | D | A | -2.9049 | |
| 83 | R | A | -3.0740 | |
| 84 | K | A | -2.4761 | |
| 85 | I | A | -1.1931 | |
| 86 | K | A | -1.9206 | |
| 87 | K | A | -2.2314 | |
| 88 | V | A | -0.4433 | |
| 89 | S | A | -1.6083 | |
| 90 | K | A | -2.7057 | |
| 91 | N | A | -3.1248 | |
| 92 | K | A | -2.9094 | |
| 93 | K | A | -1.9417 | |
| 94 | R | A | -1.5012 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -2.0151 | |
| 97 | A | A | 0.0000 | |
| 98 | Q | A | -2.5920 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -3.1705 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -2.6472 | |
| 103 | T | A | 0.0000 | |
| 104 | N | A | -1.3109 | |
| 105 | Y | A | 0.0292 | |
| 106 | G | A | -1.1509 | |
| 107 | N | A | -2.3388 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | -2.6348 | |
| 110 | R | A | 0.0000 | |
| 111 | N | A | -2.1345 | |
| 112 | V | A | 0.0000 | |
| 113 | Q | A | -1.2537 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.4124 | |
| 116 | F | A | 0.0000 | |
| 117 | V | A | -1.0592 | |
| 118 | K | A | -1.8768 | |
| 119 | E | A | -2.5049 | |
| 120 | D | A | -2.3885 | |
| 121 | G | A | -1.1552 | |
| 122 | M | A | -0.2024 | |
| 123 | W | A | 0.0831 | |
| 124 | K | A | -0.2479 | |
| 125 | L | A | 0.0000 | |
| 126 | D | A | -0.8029 | |
| 127 | W | A | 0.0000 | |
| 128 | D | A | -2.6889 | |
| 129 | H | A | -1.8422 | |
| 130 | S | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | M | A | 0.0000 | |
| 137 | Q | A | -1.8897 | |
| 138 | K | A | -2.6839 | |
| 139 | D | A | -2.4690 | |
| 140 | Q | A | 0.0000 | |
| 141 | S | A | -0.9836 | |
| 142 | I | A | 0.0000 | |
| 143 | H | A | 0.0000 | |
| 144 | I | A | -0.1415 | |
| 145 | E | A | -0.2785 | |
| 146 | N | A | -0.9607 | |
| 147 | L | A | -0.9419 | |
| 148 | K | A | -1.9195 | |
| 149 | S | A | -1.1887 | |
| 150 | E | A | -1.4060 | |
| 151 | R | A | -1.3474 | |
| 152 | G | A | 0.0000 | |
| 153 | K | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | D | A | 0.0000 | |
| 157 | R | A | 0.0000 | |
| 158 | N | A | -0.4876 | |
| 159 | N | A | -0.2303 | |
| 160 | V | A | 0.5197 | |
| 161 | E | A | -0.0767 | |
| 162 | L | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | N | A | -0.5700 | |
| 165 | T | A | -0.7206 | |
| 166 | G | A | -0.7523 | |
| 167 | T | A | -0.9748 | |
| 168 | A | A | -0.9111 | |
| 169 | Y | A | -0.7814 | |
| 170 | E | A | -0.7869 | |
| 171 | I | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | V | A | -0.3145 | |
| 175 | P | A | -0.6008 | |
| 176 | K | A | -1.2636 | |
| 177 | N | A | 0.0000 | |
| 178 | V | A | -0.6239 | |
| 179 | S | A | -1.8365 | |
| 180 | K | A | -2.7037 | |
| 181 | K | A | -3.0761 | |
| 182 | D | A | -2.3808 | |
| 183 | Y | A | -2.2422 | |
| 184 | K | A | -3.4090 | |
| 185 | A | A | -2.1184 | |
| 186 | I | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | K | A | -2.7387 | |
| 189 | E | A | -1.3970 | |
| 190 | L | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | S | A | -2.2469 | |
| 194 | E | A | -3.9983 | |
| 195 | D | A | -3.5021 | |
| 196 | Y | A | -1.9942 | |
| 197 | I | A | 0.0000 | |
| 198 | K | A | -3.2298 | |
| 199 | Q | A | -2.5667 | |
| 200 | Q | A | -1.4683 | |
| 201 | M | A | -0.1278 | |
| 202 | D | A | -0.7625 | |
| 203 | Q | A | -1.3960 | |
| 204 | N | A | -1.2135 | |
| 205 | W | A | -0.3869 | |
| 206 | V | A | 0.0000 | |
| 207 | Q | A | -0.6059 | |
| 208 | D | A | -1.1877 | |
| 209 | D | A | -1.2191 | |
| 210 | T | A | 0.0000 | |
| 211 | F | A | 0.0891 | |
| 212 | V | A | 0.0000 | |
| 213 | P | A | -0.1796 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -0.4422 | |
| 216 | T | A | -0.6044 | |
| 217 | V | A | 0.0000 | |
| 218 | K | A | -1.2480 | |
| 219 | K | A | -1.8924 | |
| 220 | M | A | -1.5069 | |
| 221 | D | A | -2.5492 | |
| 222 | E | A | -2.2919 | |
| 223 | Y | A | -0.6414 | |
| 224 | L | A | 0.0000 | |
| 225 | S | A | -1.7036 | |
| 226 | D | A | -1.9331 | |
| 227 | F | A | -1.1796 | |
| 228 | A | A | 0.0000 | |
| 229 | K | A | -2.7363 | |
| 230 | K | A | -2.8751 | |
| 231 | F | A | 0.0000 | |
| 232 | H | A | -1.8539 | |
| 233 | L | A | 0.0000 | |
| 234 | T | A | -0.5466 | |
| 235 | T | A | -0.7287 | |
| 236 | N | A | -1.1839 | |
| 237 | E | A | -2.0528 | |
| 238 | T | A | -1.4951 | |
| 239 | E | A | -1.8573 | |
| 240 | S | A | -1.1564 | |
| 241 | R | A | 0.0000 | |
| 242 | N | A | -0.5714 | |
| 243 | Y | A | 0.0000 | |
| 244 | P | A | -0.4645 | |
| 245 | L | A | -0.3116 | |
| 246 | E | A | -0.8851 | |
| 247 | K | A | -1.1741 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | S | A | -0.4482 | |
| 251 | H | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | Y | A | -0.1315 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | P | A | -0.0196 | |
| 259 | I | A | 0.7045 | |
| 260 | N | A | -0.9288 | |
| 261 | S | A | 0.0000 | |
| 262 | E | A | -2.6872 | |
| 263 | E | A | -2.8536 | |
| 264 | L | A | -1.7785 | |
| 265 | K | A | -2.6531 | |
| 266 | Q | A | -3.0849 | |
| 267 | K | A | -3.2536 | |
| 268 | E | A | -3.5495 | |
| 269 | Y | A | -2.8588 | |
| 270 | K | A | 0.0000 | |
| 271 | G | A | -2.1786 | |
| 272 | Y | A | -2.3419 | |
| 273 | K | A | -2.8955 | |
| 274 | D | A | -2.7643 | |
| 275 | D | A | -2.9109 | |
| 276 | A | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | G | A | -1.8335 | |
| 280 | K | A | 0.0000 | |
| 281 | K | A | -2.4358 | |
| 282 | G | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | 0.0000 | |
| 285 | K | A | -2.9141 | |
| 286 | L | A | -1.6143 | |
| 287 | Y | A | 0.0000 | |
| 288 | D | A | 0.0000 | |
| 289 | K | A | -2.9651 | |
| 290 | K | A | -2.0222 | |
| 291 | L | A | 0.0000 | |
| 292 | Q | A | -2.4016 | |
| 293 | H | A | 0.0000 | |
| 294 | E | A | -2.2442 | |
| 295 | D | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | Y | A | -0.8578 | |
| 298 | R | A | -0.8687 | |
| 299 | V | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | D | A | -1.4278 | |
| 304 | D | A | -1.1240 | |
| 306 | S | A | -0.5198 | |
| 307 | N | A | -0.8156 | |
| 308 | T | A | -0.4654 | |
| 309 | I | A | 0.0541 | |
| 310 | A | A | 0.0000 | |
| 311 | H | A | 0.0790 | |
| 312 | T | A | -0.1602 | |
| 313 | L | A | 0.0000 | |
| 314 | I | A | -0.8187 | |
| 315 | E | A | -1.8090 | |
| 316 | K | A | -2.1931 | |
| 317 | K | A | -2.4308 | |
| 318 | K | A | -2.0995 | |
| 319 | K | A | -2.1703 | |
| 320 | D | A | 0.0000 | |
| 321 | G | A | -1.4397 | |
| 322 | K | A | -1.1508 | |
| 323 | D | A | -0.7439 | |
| 324 | I | A | 0.0000 | |
| 325 | Q | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | A | A | -0.6490 | |
| 331 | K | A | -1.8895 | |
| 332 | V | A | 0.0000 | |
| 333 | Q | A | 0.0000 | |
| 334 | K | A | -1.6346 | |
| 335 | S | A | -1.5925 | |
| 336 | I | A | 0.0000 | |
| 337 | Y | A | 0.0000 | |
| 338 | N | A | -1.5362 | |
| 339 | N | A | -1.4169 | |
| 340 | M | A | 0.0000 | |
| 341 | K | A | -2.5280 | |
| 342 | N | A | -2.5072 | |
| 343 | D | A | -3.2349 | |
| 344 | Y | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | T | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | H | A | 0.0000 | |
| 352 | P | A | 0.0000 | |
| 353 | Q | A | -0.8520 | |
| 354 | T | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | E | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | P | A | -1.6585 | |
| 365 | S | A | -1.0307 | |
| 366 | Y | A | -0.1913 | |
| 367 | D | A | -0.4850 | |
| 368 | V | A | 0.0000 | |
| 369 | Y | A | 0.0000 | |
| 370 | P | A | 0.4928 | |
| 371 | F | A | 0.8025 | |
| 372 | M | A | 0.5644 | |
| 373 | Y | A | 0.0000 | |
| 374 | G | A | 0.6768 | |
| 375 | M | A | 0.6913 | |
| 376 | S | A | -1.0337 | |
| 377 | N | A | -1.9546 | |
| 378 | E | A | -2.5893 | |
| 379 | E | A | -1.4342 | |
| 380 | Y | A | -0.8714 | |
| 381 | N | A | -2.6718 | |
| 382 | K | A | -2.4885 | |
| 383 | L | A | 0.0000 | |
| 384 | T | A | -2.3627 | |
| 385 | E | A | -2.8986 | |
| 386 | D | A | -2.7281 | |
| 387 | K | A | -2.9145 | |
| 388 | K | A | -2.1994 | |
| 389 | E | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | L | A | -0.2971 | |
| 392 | L | A | 0.0000 | |
| 393 | N | A | -1.2793 | |
| 394 | K | A | -0.8938 | |
| 395 | F | A | 0.0000 | |
| 396 | Q | A | -0.1999 | |
| 397 | I | A | 0.0000 | |
| 398 | T | A | -0.0061 | |
| 399 | T | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | S | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | Q | A | 0.0000 | |
| 406 | K | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | A | A | 0.0000 | |
| 411 | M | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | N | A | -1.9476 | |
| 416 | N | A | -2.7913 | |
| 417 | K | A | -3.6553 | |
| 418 | T | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | D | A | -3.4383 | |
| 421 | D | A | -3.4512 | |
| 422 | K | A | -3.0360 | |
| 423 | T | A | -2.4746 | |
| 424 | S | A | -2.0804 | |
| 425 | Y | A | -1.5883 | |
| 426 | K | A | -2.2550 | |
| 427 | I | A | -0.8807 | |
| 428 | D | A | -1.5606 | |
| 429 | G | A | -1.3900 | |
| 430 | K | A | -1.5559 | |
| 431 | G | A | -1.2718 | |
| 432 | W | A | -1.3605 | |
| 433 | Q | A | -2.6230 | |
| 434 | K | A | -3.6598 | |
| 435 | D | A | -3.8580 | |
| 436 | K | A | -3.4072 | |
| 437 | S | A | -1.7495 | |
| 438 | W | A | -1.0048 | |
| 439 | G | A | -0.7663 | |
| 440 | G | A | -1.1303 | |
| 441 | Y | A | -0.7292 | |
| 442 | N | A | -1.1071 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -1.0606 | |
| 445 | R | A | 0.0000 | |
| 446 | Y | A | 0.0000 | |
| 447 | E | A | -2.1502 | |
| 448 | V | A | -0.7905 | |
| 449 | V | A | 0.4687 | |
| 450 | N | A | -1.2059 | |
| 451 | G | A | -1.3704 | |
| 452 | N | A | -2.0104 | |
| 453 | I | A | 0.0000 | |
| 454 | D | A | -1.9045 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -1.2915 | |
| 457 | Q | A | -1.2730 | |
| 458 | A | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | E | A | -1.5933 | |
| 461 | S | A | 0.0000 | |
| 462 | S | A | 0.0000 | |
| 463 | D | A | 0.0000 | |
| 464 | N | A | 0.0000 | |
| 465 | I | A | 0.0000 | |
| 466 | F | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | R | A | 0.0354 | |
| 470 | V | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | L | A | 0.6227 | |
| 473 | E | A | -0.7257 | |
| 474 | L | A | 0.0000 | |
| 475 | G | A | -1.6030 | |
| 476 | S | A | -2.6165 | |
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| 478 | K | A | -3.8338 | |
| 479 | F | A | 0.0000 | |
| 480 | E | A | -4.5522 | |
| 481 | K | A | -4.3974 | |
| 482 | G | A | 0.0000 | |
| 483 | M | A | 0.0000 | |
| 484 | K | A | -3.4789 | |
| 485 | K | A | -2.4294 | |
| 486 | L | A | 0.0000 | |
| 487 | G | A | -1.2375 | |
| 488 | V | A | -1.0435 | |
| 489 | G | A | -1.0741 | |
| 490 | E | A | -1.1866 | |
| 491 | D | A | 0.0000 | |
| 492 | I | A | 1.5290 | |
| 493 | P | A | 0.0000 | |
| 494 | S | A | 0.3713 | |
| 495 | D | A | -0.4471 | |
| 496 | Y | A | 0.0000 | |
| 497 | P | A | -0.2797 | |
| 498 | F | A | 0.0000 | |
| 499 | Y | A | 0.7274 | |
| 500 | N | A | -0.4131 | |
| 501 | A | A | -0.1606 | |
| 502 | Q | A | -0.3409 | |
| 503 | I | A | 1.1615 | |
| 504 | S | A | -0.4182 | |
| 505 | N | A | -1.8290 | |
| 506 | K | A | -2.6934 | |
| 507 | N | A | -2.4502 | |
| 508 | L | A | 0.0000 | |
| 509 | D | A | -3.2472 | |
| 510 | N | A | -2.7928 | |
| 511 | E | A | -2.9729 | |
| 512 | I | A | 0.0000 | |
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| 515 | A | A | 0.0000 | |
| 516 | D | A | 0.0000 | |
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| 518 | G | A | 0.0000 | |
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| 520 | G | A | 0.0000 | |
| 521 | Q | A | 0.0000 | |
| 522 | G | A | 0.0000 | |
| 523 | E | A | -0.8397 | |
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| 527 | N | A | 0.0000 | |
| 528 | P | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | Q | A | 0.0000 | |
| 531 | I | A | 0.0000 | |
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| 534 | I | A | 0.0000 | |
| 535 | Y | A | 0.0000 | |
| 536 | S | A | 0.0000 | |
| 537 | A | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 539 | E | A | -1.2655 | |
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| 541 | N | A | -2.6222 | |
| 542 | G | A | 0.0000 | |
| 543 | N | A | -1.6009 | |
| 544 | I | A | 0.0000 | |
| 545 | N | A | 0.0000 | |
| 546 | A | A | 0.0000 | |
| 547 | P | A | 0.0000 | |
| 548 | H | A | -0.0649 | |
| 549 | L | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | K | A | 0.0000 | |
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| 553 | T | A | -1.5190 | |
| 554 | K | A | -1.3822 | |
| 555 | N | A | -0.9198 | |
| 556 | K | A | -0.3154 | |
| 557 | V | A | 0.8927 | |
| 558 | W | A | 0.2841 | |
| 559 | K | A | -1.6479 | |
| 560 | K | A | 0.0000 | |
| 561 | N | A | -1.6296 | |
| 562 | I | A | -0.0883 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -1.9190 | |
| 565 | K | A | -2.9737 | |
| 566 | E | A | -3.0550 | |
| 567 | N | A | -2.4476 | |
| 568 | I | A | 0.0000 | |
| 569 | N | A | -2.5661 | |
| 570 | L | A | -1.8545 | |
| 571 | L | A | 0.0000 | |
| 572 | T | A | -1.8209 | |
| 573 | D | A | -2.6376 | |
| 574 | G | A | 0.0000 | |
| 575 | M | A | 0.0000 | |
| 576 | Q | A | -2.5583 | |
| 577 | Q | A | -2.2438 | |
| 578 | V | A | 0.0000 | |
| 579 | V | A | 0.0000 | |
| 580 | N | A | -2.6727 | |
| 581 | K | A | -2.2369 | |
| 582 | T | A | 0.0000 | |
| 583 | H | A | -2.7359 | |
| 584 | K | A | -3.0516 | |
| 585 | E | A | -2.5286 | |
| 586 | D | A | -2.1263 | |
| 587 | I | A | 0.0000 | |
| 588 | Y | A | -1.1067 | |
| 589 | R | A | -0.6499 | |
| 590 | S | A | -0.3813 | |
| 591 | Y | A | 0.6002 | |
| 592 | A | A | -0.2321 | |
| 593 | N | A | -1.4860 | |
| 594 | L | A | 0.0000 | |
| 595 | I | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | K | A | 0.0000 | |
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| 599 | G | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | E | A | -2.1940 | |
| 603 | L | A | 0.0000 | |
| 604 | K | A | -2.4619 | |
| 611 | G | A | -2.3452 | |
| 612 | R | A | -3.1524 | |
| 613 | Q | A | -2.9602 | |
| 614 | I | A | 0.0000 | |
| 615 | G | A | 0.0000 | |
| 616 | W | A | 0.0000 | |
| 617 | F | A | 0.0000 | |
| 618 | I | A | 0.0000 | |
| 619 | S | A | 0.0000 | |
| 620 | Y | A | 0.0000 | |
| 621 | D | A | 0.0000 | |
| 622 | K | A | -1.8221 | |
| 623 | D | A | -2.2389 | |
| 624 | N | A | -1.9765 | |
| 625 | P | A | 0.0000 | |
| 626 | N | A | -1.1592 | |
| 627 | M | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | A | A | 0.0000 | |
| 631 | I | A | 0.0000 | |
| 632 | N | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | K | A | -2.3956 | |
| 635 | D | A | -2.7537 | |
| 636 | V | A | -1.5680 | |
| 637 | Q | A | -1.8060 | |
| 638 | D | A | -1.8858 | |
| 639 | K | A | -2.6299 | |
| 640 | G | A | 0.0000 | |
| 641 | M | A | -0.9949 | |
| 642 | A | A | 0.0000 | |
| 643 | S | A | -0.6622 | |
| 644 | Y | A | 0.0377 | |
| 645 | N | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | K | A | -2.2287 | |
| 648 | I | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | G | A | 0.0000 | |
| 651 | K | A | -2.5117 | |
| 652 | V | A | 0.0000 | |
| 653 | Y | A | 0.0000 | |
| 654 | D | A | -2.7858 | |
| 655 | E | A | -3.8623 | |
| 656 | L | A | 0.0000 | |
| 657 | Y | A | 0.0000 | |
| 658 | E | A | -4.3570 | |
| 659 | N | A | -3.7322 | |
| 660 | G | A | -2.7147 | |
| 661 | N | A | -3.1604 | |
| 662 | K | A | -4.0688 | |
| 663 | K | A | -3.6528 | |
| 664 | Y | A | 0.0000 | |
| 665 | D | A | -1.7889 | |
| 666 | I | A | 0.0000 | |
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| 27 | D | B | -2.5818 | |
| 28 | K | B | -2.3451 | |
| 29 | E | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | N | B | -1.7501 | |
| 32 | N | B | -2.0786 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | D | B | -2.1796 | |
| 36 | A | B | 0.0000 | |
| 37 | I | B | 0.0000 | |
| 38 | E | B | -3.0645 | |
| 39 | D | B | -3.9956 | |
| 40 | K | B | -3.5880 | |
| 41 | N | B | -3.1649 | |
| 42 | F | B | 0.0000 | |
| 43 | K | B | -3.5240 | |
| 44 | Q | B | -3.3577 | |
| 45 | V | B | 0.0000 | |
| 46 | Y | B | 0.0000 | |
| 47 | K | B | -2.9820 | |
| 48 | D | B | -1.9686 | |
| 49 | S | B | 0.0000 | |
| 50 | S | B | 0.1317 | |
| 51 | Y | B | 1.2606 | |
| 52 | I | B | 1.7847 | |
| 53 | S | B | 0.0000 | |
| 54 | K | B | -0.8157 | |
| 55 | S | B | -0.4196 | |
| 56 | D | B | -1.8109 | |
| 57 | N | B | 0.0000 | |
| 58 | G | B | -1.0448 | |
| 59 | E | B | -1.2825 | |
| 60 | V | B | 0.4486 | |
| 61 | E | B | -0.3864 | |
| 62 | M | B | 0.0000 | |
| 63 | T | B | 0.0000 | |
| 64 | E | B | -2.2325 | |
| 65 | R | B | -1.7715 | |
| 66 | P | B | 0.0000 | |
| 67 | I | B | -1.9660 | |
| 68 | K | B | -2.3285 | |
| 69 | I | B | 0.0000 | |
| 70 | Y | B | 0.0000 | |
| 71 | N | B | -1.9320 | |
| 72 | S | B | -1.1812 | |
| 73 | L | B | 0.0000 | |
| 74 | G | B | -1.5478 | |
| 75 | V | B | -2.0997 | |
| 76 | K | B | -3.7339 | |
| 77 | D | B | -3.9121 | |
| 78 | I | B | 0.0000 | |
| 79 | N | B | -3.1129 | |
| 80 | I | B | -2.1168 | |
| 81 | Q | B | -2.4200 | |
| 82 | D | B | -2.2374 | |
| 83 | R | B | -2.1870 | |
| 84 | K | B | -1.8012 | |
| 85 | I | B | 0.0998 | |
| 86 | K | B | -1.0542 | |
| 87 | K | B | -1.3339 | |
| 94 | R | B | -1.0628 | |
| 95 | V | B | -0.0883 | |
| 96 | D | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | Q | B | -2.0499 | |
| 99 | Y | B | 0.0000 | |
| 100 | K | B | 0.0000 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -3.2972 | |
| 103 | T | B | 0.0000 | |
| 104 | N | B | -2.3380 | |
| 105 | Y | B | 0.0000 | |
| 106 | G | B | -1.9270 | |
| 107 | N | B | -2.1772 | |
| 108 | I | B | -1.4192 | |
| 109 | D | B | -1.9064 | |
| 110 | R | B | -1.4359 | |
| 111 | N | B | -1.3125 | |
| 112 | V | B | 0.0000 | |
| 113 | Q | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | -0.0030 | |
| 116 | F | B | 0.3058 | |
| 117 | V | B | 0.2541 | |
| 118 | K | B | -2.2080 | |
| 119 | E | B | -2.9591 | |
| 120 | D | B | -2.7864 | |
| 121 | G | B | -1.6440 | |
| 122 | M | B | -0.7306 | |
| 123 | W | B | -1.0128 | |
| 124 | K | B | -1.3234 | |
| 125 | L | B | 0.0000 | |
| 126 | D | B | 0.0904 | |
| 127 | W | B | -0.3346 | |
| 128 | D | B | 0.0000 | |
| 129 | H | B | 0.0000 | |
| 130 | S | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | I | B | 0.0000 | |
| 133 | I | B | 0.0000 | |
| 134 | P | B | 0.0000 | |
| 135 | G | B | 0.0000 | |
| 136 | M | B | -0.4043 | |
| 137 | Q | B | -1.5555 | |
| 138 | K | B | -2.5034 | |
| 139 | D | B | -1.8432 | |
| 140 | Q | B | 0.0000 | |
| 141 | S | B | -0.6912 | |
| 142 | I | B | 0.0000 | |
| 143 | H | B | 0.0000 | |
| 144 | I | B | -0.4576 | |
| 145 | E | B | -0.7160 | |
| 146 | N | B | -0.6928 | |
| 147 | L | B | -0.5424 | |
| 148 | K | B | -1.2356 | |
| 149 | S | B | -1.1043 | |
| 150 | E | B | -1.4098 | |
| 151 | R | B | -1.1337 | |
| 152 | G | B | 0.0000 | |
| 153 | K | B | -0.8273 | |
| 154 | I | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | D | B | 0.0000 | |
| 157 | R | B | 0.0000 | |
| 158 | N | B | 0.0000 | |
| 159 | N | B | -1.3293 | |
| 160 | V | B | -0.4645 | |
| 161 | E | B | -0.5779 | |
| 162 | L | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | N | B | -0.7044 | |
| 165 | T | B | -0.7517 | |
| 166 | G | B | -0.6618 | |
| 167 | T | B | -0.7696 | |
| 168 | A | B | 0.0000 | |
| 169 | Y | B | -0.5393 | |
| 170 | E | B | -0.4986 | |
| 171 | I | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | I | B | 0.0000 | |
| 174 | V | B | -0.4363 | |
| 175 | P | B | -0.9928 | |
| 176 | K | B | -1.9140 | |
| 177 | N | B | -2.0335 | |
| 178 | V | B | 0.0000 | |
| 179 | S | B | -2.4796 | |
| 180 | K | B | -3.4984 | |
| 181 | K | B | -3.3145 | |
| 182 | D | B | -3.0577 | |
| 183 | Y | B | 0.0000 | |
| 184 | K | B | -3.5621 | |
| 185 | A | B | -2.5195 | |
| 186 | I | B | 0.0000 | |
| 187 | A | B | 0.0000 | |
| 188 | K | B | -2.5365 | |
| 189 | E | B | -1.6518 | |
| 190 | L | B | 0.0000 | |
| 191 | S | B | -1.1285 | |
| 192 | I | B | -0.7052 | |
| 193 | S | B | -1.8863 | |
| 194 | E | B | -3.2266 | |
| 195 | D | B | -2.6386 | |
| 196 | Y | B | -0.8860 | |
| 197 | I | B | 0.0000 | |
| 198 | K | B | -3.2670 | |
| 199 | Q | B | -3.0078 | |
| 200 | Q | B | -2.2518 | |
| 201 | M | B | -1.7417 | |
| 202 | D | B | -3.1757 | |
| 203 | Q | B | -2.8797 | |
| 204 | N | B | -1.8777 | |
| 205 | W | B | -0.4572 | |
| 206 | V | B | -0.3444 | |
| 207 | Q | B | -0.8294 | |
| 208 | D | B | -1.0761 | |
| 209 | D | B | -0.8840 | |
| 210 | T | B | -0.4773 | |
| 211 | F | B | 0.0931 | |
| 212 | V | B | 0.0000 | |
| 213 | P | B | 0.1226 | |
| 214 | L | B | 0.0000 | |
| 215 | K | B | 0.0000 | |
| 216 | T | B | -0.2617 | |
| 217 | V | B | 0.0000 | |
| 218 | K | B | -1.1917 | |
| 219 | K | B | -1.2716 | |
| 220 | M | B | -1.2194 | |
| 221 | D | B | -2.3959 | |
| 222 | E | B | -2.7994 | |
| 223 | Y | B | -1.8971 | |
| 224 | L | B | 0.0000 | |
| 225 | S | B | -2.4769 | |
| 226 | D | B | -3.2240 | |
| 227 | F | B | 0.0000 | |
| 228 | A | B | -2.3184 | |
| 229 | K | B | -3.0173 | |
| 230 | K | B | -2.7378 | |
| 231 | F | B | 0.0000 | |
| 232 | H | B | -2.1195 | |
| 233 | L | B | -0.9710 | |
| 234 | T | B | -0.1730 | |
| 235 | T | B | -0.3779 | |
| 236 | N | B | -0.7332 | |
| 237 | E | B | -1.0668 | |
| 238 | T | B | -0.8831 | |
| 239 | E | B | -1.1918 | |
| 240 | S | B | -0.7633 | |
| 241 | R | B | 0.0000 | |
| 242 | N | B | -0.4157 | |
| 243 | Y | B | 0.0000 | |
| 244 | P | B | -0.1733 | |
| 245 | L | B | 0.3312 | |
| 246 | E | B | 0.0000 | |
| 247 | K | B | -2.0759 | |
| 248 | A | B | 0.0000 | |
| 249 | T | B | 0.0000 | |
| 250 | S | B | 0.0000 | |
| 251 | H | B | 0.0000 | |
| 252 | L | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | G | B | 0.0000 | |
| 255 | Y | B | 0.0000 | |
| 256 | V | B | 0.0000 | |
| 257 | G | B | -0.0898 | |
| 258 | P | B | 0.2413 | |
| 259 | I | B | 0.6610 | |
| 260 | N | B | -1.2342 | |
| 261 | S | B | -2.2550 | |
| 262 | E | B | -3.1606 | |
| 263 | E | B | -3.2111 | |
| 264 | L | B | 0.0000 | |
| 265 | K | B | -4.4817 | |
| 266 | Q | B | -3.7078 | |
| 267 | K | B | -3.8947 | |
| 268 | E | B | -4.0674 | |
| 269 | Y | B | 0.0000 | |
| 270 | K | B | -3.1234 | |
| 271 | G | B | -1.8946 | |
| 272 | Y | B | -1.4084 | |
| 273 | K | B | -2.1006 | |
| 274 | D | B | -1.5399 | |
| 275 | D | B | -0.9148 | |
| 276 | A | B | -0.4524 | |
| 277 | V | B | 0.0000 | |
| 278 | I | B | 0.0000 | |
| 279 | G | B | 0.0000 | |
| 280 | K | B | -1.5822 | |
| 281 | K | B | -1.1486 | |
| 282 | G | B | -0.4906 | |
| 283 | L | B | 0.0000 | |
| 284 | E | B | 0.0000 | |
| 285 | K | B | -1.9065 | |
| 286 | L | B | -0.8056 | |
| 287 | Y | B | -1.2915 | |
| 288 | D | B | 0.0000 | |
| 289 | K | B | -3.3285 | |
| 290 | K | B | -2.1133 | |
| 291 | L | B | 0.0000 | |
| 292 | Q | B | -2.0502 | |
| 293 | H | B | 0.0000 | |
| 294 | E | B | 0.0000 | |
| 295 | D | B | 0.0000 | |
| 296 | G | B | 0.0000 | |
| 297 | Y | B | -1.5925 | |
| 298 | R | B | -1.3818 | |
| 299 | V | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | I | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | D | B | -1.1225 | |
| 304 | D | B | -1.0794 | |
| 306 | S | B | -0.2752 | |
| 307 | N | B | -0.7549 | |
| 308 | T | B | -0.2649 | |
| 309 | I | B | 0.2106 | |
| 310 | A | B | 0.1473 | |
| 311 | H | B | 0.1204 | |
| 312 | T | B | -0.3349 | |
| 313 | L | B | 0.0000 | |
| 314 | I | B | 0.0000 | |
| 315 | E | B | -2.7891 | |
| 316 | K | B | -3.1184 | |
| 317 | K | B | -3.2289 | |
| 318 | K | B | -2.6011 | |
| 319 | K | B | -2.8246 | |
| 320 | D | B | -2.0892 | |
| 321 | G | B | -1.2766 | |
| 322 | K | B | -1.1647 | |
| 323 | D | B | -0.8387 | |
| 324 | I | B | 0.0000 | |
| 325 | Q | B | 0.0000 | |
| 326 | L | B | 0.0000 | |
| 327 | T | B | 0.0000 | |
| 328 | I | B | 0.0000 | |
| 329 | D | B | 0.0000 | |
| 330 | A | B | -0.6914 | |
| 331 | K | B | -1.0370 | |
| 332 | V | B | 0.0000 | |
| 333 | Q | B | 0.0000 | |
| 334 | K | B | -2.3757 | |
| 335 | S | B | 0.0000 | |
| 336 | I | B | 0.0000 | |
| 337 | Y | B | 0.0000 | |
| 338 | N | B | -2.8515 | |
| 339 | N | B | -2.1869 | |
| 340 | M | B | 0.0000 | |
| 341 | K | B | -2.8166 | |
| 342 | N | B | -2.2421 | |
| 343 | D | B | 0.0000 | |
| 344 | Y | B | -1.3509 | |
| 345 | G | B | 0.0000 | |
| 346 | S | B | 0.0000 | |
| 347 | G | B | 0.0000 | |
| 348 | T | B | 0.0000 | |
| 349 | A | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | H | B | 0.0000 | |
| 352 | P | B | 0.0000 | |
| 353 | Q | B | -0.6860 | |
| 354 | T | B | 0.0000 | |
| 355 | G | B | 0.0000 | |
| 356 | E | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | L | B | 0.0000 | |
| 359 | A | B | 0.0000 | |
| 360 | L | B | 0.0000 | |
| 361 | V | B | 0.0000 | |
| 362 | S | B | 0.0000 | |
| 363 | T | B | 0.0000 | |
| 364 | P | B | -1.6789 | |
| 365 | S | B | 0.0000 | |
| 366 | Y | B | -0.5154 | |
| 367 | D | B | -0.3367 | |
| 368 | V | B | 0.0000 | |
| 369 | Y | B | 0.0000 | |
| 370 | P | B | 0.0000 | |
| 371 | F | B | 0.7408 | |
| 372 | M | B | 0.4487 | |
| 373 | Y | B | 0.4222 | |
| 374 | G | B | 0.2513 | |
| 375 | M | B | 0.5431 | |
| 376 | S | B | -0.2808 | |
| 377 | N | B | -1.3226 | |
| 378 | E | B | -2.7085 | |
| 379 | E | B | -2.3221 | |
| 380 | Y | B | -1.7366 | |
| 381 | N | B | -3.3375 | |
| 382 | K | B | -3.3305 | |
| 383 | L | B | -2.2701 | |
| 384 | T | B | -2.9637 | |
| 385 | E | B | -3.6086 | |
| 386 | D | B | -2.8769 | |
| 387 | K | B | 0.0000 | |
| 388 | K | B | -3.4636 | |
| 389 | E | B | -2.8401 | |
| 390 | P | B | 0.0000 | |
| 391 | L | B | 0.0881 | |
| 392 | L | B | 0.7459 | |
| 393 | N | B | 0.0558 | |
| 394 | K | B | 0.0000 | |
| 395 | F | B | 0.0000 | |
| 396 | Q | B | 0.0000 | |
| 397 | I | B | 0.0000 | |
| 398 | T | B | -0.0661 | |
| 399 | T | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | P | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | S | B | 0.0000 | |
| 404 | T | B | 0.0000 | |
| 405 | Q | B | 0.0000 | |
| 406 | K | B | 0.0000 | |
| 407 | I | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | T | B | 0.0000 | |
| 410 | A | B | 0.0000 | |
| 411 | M | B | 0.0000 | |
| 412 | I | B | 0.0000 | |
| 413 | G | B | 0.0000 | |
| 414 | L | B | -1.5972 | |
| 415 | N | B | -2.1688 | |
| 416 | N | B | -2.5104 | |
| 417 | K | B | -3.1825 | |
| 418 | T | B | 0.0000 | |
| 419 | L | B | 0.0000 | |
| 420 | D | B | -3.0450 | |
| 421 | D | B | -3.6499 | |
| 422 | K | B | -3.2628 | |
| 423 | T | B | -2.4199 | |
| 424 | S | B | -2.0553 | |
| 425 | Y | B | -1.7082 | |
| 426 | K | B | -2.9378 | |
| 427 | I | B | 0.0000 | |
| 428 | D | B | -2.9850 | |
| 429 | G | B | -2.5848 | |
| 430 | K | B | -2.3820 | |
| 431 | G | B | -2.3460 | |
| 432 | W | B | 0.0000 | |
| 433 | Q | B | 0.0000 | |
| 434 | K | B | -2.8335 | |
| 435 | D | B | -2.6526 | |
| 436 | K | B | -1.9264 | |
| 437 | S | B | -1.5022 | |
| 438 | W | B | -0.8146 | |
| 439 | G | B | -1.1160 | |
| 440 | G | B | -0.5570 | |
| 441 | Y | B | -0.0723 | |
| 442 | N | B | -1.1200 | |
| 443 | V | B | 0.0000 | |
| 444 | T | B | -2.0248 | |
| 445 | R | B | -2.6442 | |
| 446 | Y | B | 0.0000 | |
| 447 | E | B | -2.5984 | |
| 448 | V | B | 0.0000 | |
| 449 | V | B | -2.3845 | |
| 450 | N | B | -2.6805 | |
| 451 | G | B | -2.6232 | |
| 452 | N | B | -2.8765 | |
| 453 | I | B | 0.0000 | |
| 454 | D | B | -2.4733 | |
| 455 | L | B | 0.0000 | |
| 456 | K | B | -2.2247 | |
| 457 | Q | B | -1.8548 | |
| 458 | A | B | 0.0000 | |
| 459 | I | B | 0.0000 | |
| 460 | E | B | -1.4957 | |
| 461 | S | B | -1.1179 | |
| 462 | S | B | -0.3920 | |
| 463 | D | B | 0.0000 | |
| 464 | N | B | 0.0000 | |
| 465 | I | B | 0.0000 | |
| 466 | F | B | 0.0000 | |
| 467 | F | B | 0.0000 | |
| 468 | A | B | 0.0000 | |
| 469 | R | B | -0.6687 | |
| 470 | V | B | 0.0000 | |
| 471 | A | B | 0.0000 | |
| 472 | L | B | -1.3246 | |
| 473 | E | B | -2.0865 | |
| 474 | L | B | 0.0000 | |
| 475 | G | B | -1.9512 | |
| 476 | S | B | -2.5386 | |
| 477 | K | B | -2.7818 | |
| 478 | K | B | -2.9322 | |
| 479 | F | B | 0.0000 | |
| 480 | E | B | -2.9435 | |
| 481 | K | B | -3.9302 | |
| 482 | G | B | 0.0000 | |
| 483 | M | B | 0.0000 | |
| 484 | K | B | -3.5084 | |
| 485 | K | B | -3.5153 | |
| 486 | L | B | 0.0000 | |
| 487 | G | B | -2.0315 | |
| 488 | V | B | 0.0000 | |
| 489 | G | B | -2.4634 | |
| 490 | E | B | -2.9234 | |
| 491 | D | B | -2.4823 | |
| 492 | I | B | -0.9094 | |
| 493 | P | B | -0.8766 | |
| 494 | S | B | -0.6158 | |
| 495 | D | B | -0.6091 | |
| 496 | Y | B | 0.1844 | |
| 497 | P | B | 0.4688 | |
| 498 | F | B | 1.3406 | |
| 499 | Y | B | 0.1499 | |
| 500 | N | B | -1.2083 | |
| 501 | A | B | -0.8796 | |
| 502 | Q | B | -0.6801 | |
| 503 | I | B | 0.8712 | |
| 508 | L | B | -0.3718 | |
| 509 | D | B | -2.0150 | |
| 510 | N | B | -2.2136 | |
| 511 | E | B | -1.8287 | |
| 512 | I | B | -0.4740 | |
| 513 | L | B | -0.3133 | |
| 514 | L | B | 0.0000 | |
| 515 | A | B | 0.0000 | |
| 516 | D | B | 0.0000 | |
| 517 | S | B | -0.1320 | |
| 518 | G | B | 0.0000 | |
| 519 | Y | B | 0.0000 | |
| 520 | G | B | 0.0000 | |
| 521 | Q | B | 0.0000 | |
| 522 | G | B | -0.4608 | |
| 523 | E | B | -0.5882 | |
| 524 | I | B | 0.0000 | |
| 525 | L | B | -0.1616 | |
| 526 | I | B | 0.0000 | |
| 527 | N | B | 0.0000 | |
| 528 | P | B | 0.0000 | |
| 529 | V | B | 0.0000 | |
| 530 | Q | B | 0.0000 | |
| 531 | I | B | 0.0000 | |
| 532 | L | B | 0.0000 | |
| 533 | S | B | 0.0000 | |
| 534 | I | B | 0.0000 | |
| 535 | Y | B | 0.0000 | |
| 536 | S | B | 0.0000 | |
| 537 | A | B | 0.0000 | |
| 538 | L | B | -0.6540 | |
| 539 | E | B | 0.0000 | |
| 540 | N | B | -0.9569 | |
| 541 | N | B | -1.9886 | |
| 542 | G | B | -1.8280 | |
| 543 | N | B | -1.3003 | |
| 544 | I | B | 0.0000 | |
| 545 | N | B | -0.2209 | |
| 546 | A | B | -0.0935 | |
| 547 | P | B | 0.0000 | |
| 548 | H | B | 0.0000 | |
| 549 | L | B | 0.0000 | |
| 550 | L | B | -0.4040 | |
| 551 | K | B | 0.0000 | |
| 552 | D | B | -1.7846 | |
| 553 | T | B | -1.4260 | |
| 554 | K | B | -1.2063 | |
| 555 | N | B | -1.2073 | |
| 556 | K | B | -0.2075 | |
| 557 | V | B | 0.7631 | |
| 558 | W | B | -0.3937 | |
| 559 | K | B | -1.8784 | |
| 560 | K | B | -2.2357 | |
| 561 | N | B | -2.1880 | |
| 562 | I | B | -1.4010 | |
| 563 | I | B | 0.0000 | |
| 564 | S | B | -2.0174 | |
| 565 | K | B | -2.7196 | |
| 566 | E | B | -2.5673 | |
| 567 | N | B | 0.0000 | |
| 568 | I | B | -1.5960 | |
| 569 | N | B | -2.2788 | |
| 570 | L | B | -2.1311 | |
| 571 | L | B | 0.0000 | |
| 572 | T | B | -1.2861 | |
| 573 | D | B | -1.9269 | |
| 574 | G | B | 0.0000 | |
| 575 | M | B | 0.0000 | |
| 576 | Q | B | -1.8605 | |
| 577 | Q | B | -2.3645 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.0000 | |
| 580 | N | B | -2.8564 | |
| 581 | K | B | -3.2271 | |
| 582 | T | B | -2.1488 | |
| 583 | H | B | -3.1263 | |
| 584 | K | B | -2.8470 | |
| 585 | E | B | -2.8372 | |
| 586 | D | B | -1.7915 | |
| 587 | I | B | 0.0000 | |
| 588 | Y | B | -0.9510 | |
| 589 | R | B | 0.0000 | |
| 590 | S | B | -0.1422 | |
| 591 | Y | B | 0.4340 | |
| 592 | A | B | -0.2416 | |
| 593 | N | B | 0.0000 | |
| 594 | L | B | 0.0000 | |
| 595 | I | B | -0.6790 | |
| 596 | G | B | 0.0000 | |
| 597 | K | B | 0.0000 | |
| 598 | S | B | 0.0877 | |
| 599 | G | B | 0.0000 | |
| 600 | T | B | -0.2686 | |
| 601 | A | B | 0.0000 | |
| 602 | E | B | -1.8935 | |
| 603 | L | B | -1.5160 | |
| 604 | K | B | -1.8589 | |
| 611 | G | B | -1.8160 | |
| 612 | R | B | -2.3405 | |
| 613 | Q | B | 0.0000 | |
| 614 | I | B | 0.0000 | |
| 615 | G | B | 0.0000 | |
| 616 | W | B | 0.0000 | |
| 617 | F | B | 0.0000 | |
| 618 | I | B | 0.0000 | |
| 619 | S | B | 0.0000 | |
| 620 | Y | B | -0.3540 | |
| 621 | D | B | 0.0000 | |
| 622 | K | B | -2.1981 | |
| 623 | D | B | -2.3286 | |
| 624 | N | B | -1.5989 | |
| 625 | P | B | -1.0226 | |
| 626 | N | B | 0.0000 | |
| 627 | M | B | 0.0000 | |
| 628 | M | B | 0.0000 | |
| 629 | M | B | 0.0000 | |
| 630 | A | B | 0.0000 | |
| 631 | I | B | 0.0000 | |
| 632 | N | B | 0.0000 | |
| 633 | V | B | 0.0000 | |
| 634 | K | B | -1.0486 | |
| 635 | D | B | -1.3501 | |
| 636 | V | B | 0.1852 | |
| 637 | Q | B | -0.3231 | |
| 638 | D | B | -0.5793 | |
| 639 | K | B | -1.1657 | |
| 640 | G | B | -1.0612 | |
| 641 | M | B | 0.5792 | |
| 642 | A | B | 0.4134 | |
| 643 | S | B | 0.3247 | |
| 644 | Y | B | 0.9140 | |
| 645 | N | B | 0.0000 | |
| 646 | A | B | 0.0000 | |
| 647 | K | B | -0.7930 | |
| 648 | I | B | 0.0000 | |
| 649 | S | B | 0.0000 | |
| 650 | G | B | 0.0000 | |
| 651 | K | B | -1.7631 | |
| 652 | V | B | 0.0000 | |
| 653 | Y | B | 0.0000 | |
| 654 | D | B | -1.6203 | |
| 655 | E | B | -1.7544 | |
| 656 | L | B | 0.0000 | |
| 657 | Y | B | -0.9316 | |
| 658 | E | B | -2.3641 | |
| 659 | N | B | -2.5191 | |
| 660 | G | B | -2.1349 | |
| 661 | N | B | -2.5827 | |
| 662 | K | B | -3.2248 | |
| 663 | K | B | -2.9182 | |
| 664 | Y | B | -1.4670 | |
| 665 | D | B | -1.6019 | |
| 666 | I | B | 0.0000 | |
| 667 | D | B | 0.0000 | |
| 668 | E | B | -1.3511 |
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, -0.952 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 | -0.952 | View | CSV | PDB |
| model_11 | -0.9635 | View | CSV | PDB |
| model_10 | -0.969 | View | CSV | PDB |
| model_8 | -0.9721 | View | CSV | PDB |
| model_5 | -0.9754 | View | CSV | PDB |
| model_9 | -0.9798 | View | CSV | PDB |
| CABS_average | -0.9989 | View | CSV | PDB |
| model_2 | -1.0005 | View | CSV | PDB |
| model_3 | -1.0095 | View | CSV | PDB |
| model_6 | -1.0184 | View | CSV | PDB |
| model_1 | -1.0196 | View | CSV | PDB |
| model_0 | -1.0449 | View | CSV | PDB |
| model_4 | -1.0823 | View | CSV | PDB |
| input | -1.1956 | 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