Project name: PBP2A_dynamic
Status: done
Started: 2026-02-06 16:52:08
| 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] (00:00:02)
[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 (00:00:02)
[INFO] CABS: Running CABS flex simulation (00:47:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:09:35)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:10:01)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:10:26)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:10:52)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:11:17)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:11:43)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:12:08)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:12:34)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:12:59)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:13:25)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:13:50)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:14:16)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:14:41)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:15:34)
[INFO] Main: Simulation completed successfully. (08:15:58)
|
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
- -4.5496
- Maximal score value
- 2.1905
- Average score
- -0.9766
- Total score value
- -1230.4964
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 | -3.7596 | |
| 28 | K | A | -3.1879 | |
| 29 | E | A | -2.5215 | |
| 30 | I | A | 0.0000 | |
| 31 | N | A | -2.6184 | |
| 32 | N | A | -2.7009 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | D | A | -2.7500 | |
| 36 | A | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | E | A | -3.2087 | |
| 39 | D | A | -3.6413 | |
| 40 | K | A | -3.0962 | |
| 41 | N | A | -3.2434 | |
| 42 | F | A | 0.0000 | |
| 43 | K | A | -3.1759 | |
| 44 | Q | A | -2.9410 | |
| 45 | V | A | 0.0000 | |
| 46 | Y | A | -1.8884 | |
| 47 | K | A | -2.5714 | |
| 48 | D | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | S | A | 0.8464 | |
| 51 | Y | A | 1.6320 | |
| 52 | I | A | 1.8781 | |
| 53 | S | A | 0.0000 | |
| 54 | K | A | -0.5950 | |
| 55 | S | A | -0.3034 | |
| 56 | D | A | -1.6265 | |
| 57 | N | A | -1.1970 | |
| 58 | G | A | -1.0629 | |
| 59 | E | A | -1.9382 | |
| 60 | V | A | 0.4329 | |
| 61 | E | A | -0.6621 | |
| 62 | M | A | 0.0000 | |
| 63 | T | A | -0.2854 | |
| 64 | E | A | 0.0538 | |
| 65 | R | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | I | A | 1.4696 | |
| 68 | K | A | 0.1503 | |
| 69 | I | A | 0.0000 | |
| 70 | Y | A | 0.3210 | |
| 71 | N | A | -0.5904 | |
| 72 | S | A | -0.4122 | |
| 73 | L | A | 0.0000 | |
| 74 | G | A | -1.4381 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -2.9801 | |
| 77 | D | A | -3.7352 | |
| 78 | I | A | 0.0000 | |
| 79 | N | A | -2.8449 | |
| 80 | I | A | 0.0000 | |
| 81 | Q | A | -3.0609 | |
| 82 | D | A | -3.1336 | |
| 83 | R | A | -3.5085 | |
| 84 | K | A | -3.5309 | |
| 85 | I | A | -2.7057 | |
| 86 | K | A | -2.9613 | |
| 87 | K | A | -3.1077 | |
| 88 | V | A | -0.8444 | |
| 89 | S | A | -1.9349 | |
| 90 | K | A | -3.0163 | |
| 91 | N | A | -3.5515 | |
| 92 | K | A | -3.4008 | |
| 93 | K | A | 0.0000 | |
| 94 | R | A | -2.4342 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -2.4392 | |
| 97 | A | A | 0.0000 | |
| 98 | Q | A | -2.8096 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -2.8454 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -2.8795 | |
| 103 | T | A | 0.0000 | |
| 104 | N | A | -1.8454 | |
| 105 | Y | A | -0.0570 | |
| 106 | G | A | -0.7514 | |
| 107 | N | A | -1.6917 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | -2.8953 | |
| 110 | R | A | 0.0000 | |
| 111 | N | A | -2.3940 | |
| 112 | V | A | 0.0000 | |
| 113 | Q | A | -1.7040 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.5552 | |
| 116 | F | A | 0.0000 | |
| 117 | V | A | -1.5648 | |
| 118 | K | A | -2.6888 | |
| 119 | E | A | -3.2257 | |
| 120 | D | A | -2.7389 | |
| 121 | G | A | -1.5074 | |
| 122 | M | A | -0.2954 | |
| 123 | W | A | -0.4463 | |
| 124 | K | A | -0.3823 | |
| 125 | L | A | 0.0000 | |
| 126 | D | A | -0.4784 | |
| 127 | W | A | 0.0000 | |
| 128 | D | A | -2.4987 | |
| 129 | H | A | -1.6578 | |
| 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 | -1.2708 | |
| 138 | K | A | -1.5920 | |
| 139 | D | A | -1.0423 | |
| 140 | Q | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | H | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | E | A | 0.0000 | |
| 146 | N | A | -1.2829 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.1558 | |
| 149 | S | A | -0.7820 | |
| 150 | E | A | -0.7960 | |
| 151 | R | A | -0.8062 | |
| 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 | -0.4491 | |
| 158 | N | A | -0.5614 | |
| 159 | N | A | -0.3219 | |
| 160 | V | A | 1.2175 | |
| 161 | E | A | 0.3603 | |
| 162 | L | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | T | A | -0.4750 | |
| 166 | G | A | -0.6906 | |
| 167 | T | A | -0.9624 | |
| 168 | A | A | 0.0000 | |
| 169 | Y | A | -1.2764 | |
| 170 | E | A | -0.7512 | |
| 171 | I | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | V | A | -0.3690 | |
| 175 | P | A | 0.0000 | |
| 176 | K | A | -3.1977 | |
| 177 | N | A | -3.2999 | |
| 178 | V | A | 0.0000 | |
| 179 | S | A | -3.6056 | |
| 180 | K | A | -3.9968 | |
| 181 | K | A | -4.2734 | |
| 182 | D | A | -4.5496 | |
| 183 | Y | A | 0.0000 | |
| 184 | K | A | -3.9258 | |
| 185 | A | A | -2.5317 | |
| 186 | I | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | K | A | -3.3489 | |
| 189 | E | A | -2.8696 | |
| 190 | L | A | 0.0000 | |
| 191 | S | A | -1.6253 | |
| 192 | I | A | 0.0000 | |
| 193 | S | A | -3.1127 | |
| 194 | E | A | -3.9993 | |
| 195 | D | A | -3.7333 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | K | A | -3.7318 | |
| 199 | Q | A | -2.7927 | |
| 200 | Q | A | 0.0000 | |
| 201 | M | A | -1.8179 | |
| 202 | D | A | -2.4967 | |
| 203 | Q | A | -1.9327 | |
| 204 | N | A | -0.6766 | |
| 205 | W | A | 0.2719 | |
| 206 | V | A | -0.3612 | |
| 207 | Q | A | -0.6703 | |
| 208 | D | A | -1.2897 | |
| 209 | D | A | -1.9558 | |
| 210 | T | A | -0.5274 | |
| 211 | F | A | 0.3240 | |
| 212 | V | A | 0.0000 | |
| 213 | P | A | 0.1128 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | T | A | -0.2694 | |
| 217 | V | A | 0.0000 | |
| 218 | K | A | -0.8751 | |
| 219 | K | A | -1.1234 | |
| 220 | M | A | -1.1124 | |
| 221 | D | A | -2.4745 | |
| 222 | E | A | -2.3851 | |
| 223 | Y | A | -0.8040 | |
| 224 | L | A | 0.0000 | |
| 225 | S | A | -1.7831 | |
| 226 | D | A | -2.1647 | |
| 227 | F | A | -1.6977 | |
| 228 | A | A | -1.7455 | |
| 229 | K | A | -2.8055 | |
| 230 | K | A | -2.7742 | |
| 231 | F | A | -1.7680 | |
| 232 | H | A | -1.4480 | |
| 233 | L | A | -0.6173 | |
| 234 | T | A | -0.4865 | |
| 235 | T | A | -0.7655 | |
| 236 | N | A | -1.2772 | |
| 237 | E | A | -2.2632 | |
| 238 | T | A | -1.5328 | |
| 239 | E | A | -1.5906 | |
| 240 | S | A | 0.0000 | |
| 241 | R | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | Y | A | -0.1038 | |
| 244 | P | A | 0.1497 | |
| 245 | L | A | 0.0316 | |
| 246 | E | A | -0.6333 | |
| 247 | K | A | -1.1053 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | H | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | G | A | -0.6026 | |
| 255 | Y | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | P | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | N | A | -2.1905 | |
| 261 | S | A | -1.1109 | |
| 262 | E | A | 0.0000 | |
| 263 | E | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | K | A | -3.5357 | |
| 266 | Q | A | -3.0886 | |
| 267 | K | A | -3.7195 | |
| 268 | E | A | -3.6790 | |
| 269 | Y | A | -2.5489 | |
| 270 | K | A | -2.7268 | |
| 271 | G | A | -1.5701 | |
| 272 | Y | A | -1.1876 | |
| 273 | K | A | -2.3377 | |
| 274 | D | A | -1.8336 | |
| 275 | D | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | K | A | -1.4496 | |
| 281 | K | A | 0.0000 | |
| 282 | G | A | -0.5774 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | 0.0000 | |
| 285 | K | A | -1.7631 | |
| 286 | L | A | -0.9157 | |
| 287 | Y | A | 0.0000 | |
| 288 | D | A | -1.6676 | |
| 289 | K | A | -2.2515 | |
| 290 | K | A | -1.6943 | |
| 291 | L | A | 0.0000 | |
| 292 | Q | A | -1.9139 | |
| 293 | H | A | 0.0000 | |
| 294 | E | A | -1.9036 | |
| 295 | D | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | Y | A | -1.5533 | |
| 298 | R | A | -1.6100 | |
| 299 | V | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | D | A | -0.2811 | |
| 304 | D | A | -0.9028 | |
| 306 | S | A | 0.0000 | |
| 307 | N | A | 0.0000 | |
| 308 | T | A | 0.4811 | |
| 309 | I | A | 1.9870 | |
| 310 | A | A | 1.1917 | |
| 311 | H | A | 0.6592 | |
| 312 | T | A | -0.1084 | |
| 313 | L | A | -0.7586 | |
| 314 | I | A | -1.1263 | |
| 315 | E | A | -2.8007 | |
| 316 | K | A | -3.1686 | |
| 317 | K | A | -2.5714 | |
| 318 | K | A | -2.3887 | |
| 319 | K | A | -2.6211 | |
| 320 | D | A | -1.8875 | |
| 321 | G | A | -1.3511 | |
| 322 | K | A | 0.0000 | |
| 323 | D | A | -0.9511 | |
| 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 | -0.7894 | |
| 330 | A | A | -0.8983 | |
| 331 | K | A | -2.3456 | |
| 332 | V | A | 0.0000 | |
| 333 | Q | A | 0.0000 | |
| 334 | K | A | -2.2394 | |
| 335 | S | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | Y | A | 0.0000 | |
| 338 | N | A | -2.0160 | |
| 339 | N | A | 0.0000 | |
| 340 | M | A | 0.0000 | |
| 341 | K | A | -1.6167 | |
| 342 | N | A | -1.6708 | |
| 343 | D | A | 0.0000 | |
| 344 | Y | A | -0.5123 | |
| 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 | -0.9830 | |
| 354 | T | A | -1.0473 | |
| 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 | 0.0000 | |
| 365 | S | A | -0.2705 | |
| 366 | Y | A | 0.1607 | |
| 367 | D | A | 0.0000 | |
| 368 | V | A | 0.0918 | |
| 369 | Y | A | 0.3301 | |
| 370 | P | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | M | A | 0.0000 | |
| 373 | Y | A | 0.3502 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | S | A | 0.0000 | |
| 377 | N | A | -2.9176 | |
| 378 | E | A | -3.2682 | |
| 379 | E | A | 0.0000 | |
| 380 | Y | A | -1.7838 | |
| 381 | N | A | -2.8495 | |
| 382 | K | A | -3.1324 | |
| 383 | L | A | 0.0000 | |
| 384 | T | A | -2.4350 | |
| 385 | E | A | -3.3909 | |
| 386 | D | A | -3.1589 | |
| 387 | K | A | -3.1126 | |
| 388 | K | A | 0.0000 | |
| 389 | E | A | -1.0569 | |
| 390 | P | A | 0.0000 | |
| 391 | L | A | 0.4963 | |
| 392 | L | A | 1.5601 | |
| 393 | N | A | 0.0000 | |
| 394 | K | A | 0.1869 | |
| 395 | F | A | 0.0000 | |
| 396 | Q | A | 0.8847 | |
| 397 | I | A | 1.0409 | |
| 398 | T | A | 0.0000 | |
| 399 | T | A | -0.3007 | |
| 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 | -2.4686 | |
| 416 | N | A | -2.4457 | |
| 417 | K | A | -3.3418 | |
| 418 | T | A | -2.5166 | |
| 419 | L | A | 0.0000 | |
| 420 | D | A | -3.3936 | |
| 421 | D | A | -3.2244 | |
| 422 | K | A | -2.4517 | |
| 423 | T | A | -2.0115 | |
| 424 | S | A | -1.9923 | |
| 425 | Y | A | 0.0000 | |
| 426 | K | A | -3.1714 | |
| 427 | I | A | -2.5566 | |
| 428 | D | A | -3.0153 | |
| 429 | G | A | -1.9761 | |
| 430 | K | A | -2.0931 | |
| 431 | G | A | -1.4792 | |
| 432 | W | A | 0.0000 | |
| 433 | Q | A | -2.4570 | |
| 434 | K | A | -2.4933 | |
| 435 | D | A | -2.9674 | |
| 436 | K | A | -2.9777 | |
| 437 | S | A | -1.8593 | |
| 438 | W | A | -0.9418 | |
| 439 | G | A | -0.7457 | |
| 440 | G | A | -0.5464 | |
| 441 | Y | A | -0.5807 | |
| 442 | N | A | -1.0834 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -0.6150 | |
| 445 | R | A | -0.6457 | |
| 446 | Y | A | -0.7719 | |
| 447 | E | A | -1.8612 | |
| 448 | V | A | 0.0000 | |
| 449 | V | A | -1.7757 | |
| 450 | N | A | -2.6129 | |
| 451 | G | A | -2.4790 | |
| 452 | N | A | -2.8940 | |
| 453 | I | A | 0.0000 | |
| 454 | D | A | -1.9782 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -1.3917 | |
| 457 | Q | A | -1.2617 | |
| 458 | A | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | E | A | -1.5824 | |
| 461 | S | A | -0.9070 | |
| 462 | S | A | -0.5266 | |
| 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 | -0.9003 | |
| 470 | V | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | L | A | -0.4126 | |
| 473 | E | A | -0.7610 | |
| 474 | L | A | 0.0000 | |
| 475 | G | A | -1.7471 | |
| 476 | S | A | -2.3350 | |
| 477 | K | A | -2.9702 | |
| 478 | K | A | -3.1223 | |
| 479 | F | A | 0.0000 | |
| 480 | E | A | -3.1252 | |
| 481 | K | A | -3.7134 | |
| 482 | G | A | 0.0000 | |
| 483 | M | A | 0.0000 | |
| 484 | K | A | -3.1939 | |
| 485 | K | A | -3.6110 | |
| 486 | L | A | 0.0000 | |
| 487 | G | A | -1.8657 | |
| 488 | V | A | 0.0000 | |
| 489 | G | A | -1.2333 | |
| 490 | E | A | -1.5806 | |
| 491 | D | A | -1.7853 | |
| 492 | I | A | -0.9912 | |
| 493 | P | A | -1.0442 | |
| 494 | S | A | -0.9823 | |
| 495 | D | A | -1.0389 | |
| 496 | Y | A | 0.0000 | |
| 497 | P | A | -0.0572 | |
| 498 | F | A | 0.0000 | |
| 499 | Y | A | 0.8811 | |
| 500 | N | A | 0.1064 | |
| 501 | A | A | -0.5828 | |
| 502 | Q | A | -1.3052 | |
| 503 | I | A | -0.9977 | |
| 504 | S | A | -1.2632 | |
| 505 | N | A | -2.1332 | |
| 506 | K | A | -2.8427 | |
| 507 | N | A | -2.6686 | |
| 508 | L | A | 0.0000 | |
| 509 | D | A | -2.9804 | |
| 510 | N | A | -2.7234 | |
| 511 | E | A | -2.3943 | |
| 512 | I | A | -1.5194 | |
| 513 | L | A | -0.8184 | |
| 514 | L | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | D | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | G | A | 0.0000 | |
| 519 | Y | A | 0.0000 | |
| 520 | G | A | 0.0000 | |
| 521 | Q | A | -1.1014 | |
| 522 | G | A | -1.8600 | |
| 523 | E | A | -2.0588 | |
| 524 | I | A | -1.3807 | |
| 525 | L | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 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 | |
| 532 | L | A | 0.0000 | |
| 533 | S | A | -0.2596 | |
| 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 | -1.3019 | |
| 540 | N | A | -1.3227 | |
| 541 | N | A | -2.1261 | |
| 542 | G | A | -2.1287 | |
| 543 | N | A | -1.8554 | |
| 544 | I | A | 0.0000 | |
| 545 | N | A | -0.9927 | |
| 546 | A | A | -0.8515 | |
| 547 | P | A | 0.0000 | |
| 548 | H | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | K | A | 0.0000 | |
| 552 | D | A | -1.8914 | |
| 553 | T | A | -1.3545 | |
| 554 | K | A | -1.6527 | |
| 555 | N | A | -1.8219 | |
| 556 | K | A | -1.6858 | |
| 557 | V | A | -0.4398 | |
| 558 | W | A | -0.4978 | |
| 559 | K | A | -2.1029 | |
| 560 | K | A | -2.9875 | |
| 561 | N | A | -2.8427 | |
| 562 | I | A | 0.0000 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -2.4572 | |
| 565 | K | A | -2.8754 | |
| 566 | E | A | -2.9180 | |
| 567 | N | A | 0.0000 | |
| 568 | I | A | -1.7322 | |
| 569 | N | A | -2.0757 | |
| 570 | L | A | -1.4320 | |
| 571 | L | A | 0.0000 | |
| 572 | T | A | -0.9591 | |
| 573 | D | A | -1.3816 | |
| 574 | G | A | 0.0000 | |
| 575 | M | A | 0.0000 | |
| 576 | Q | A | -1.3253 | |
| 577 | Q | A | -1.5409 | |
| 578 | V | A | 0.0000 | |
| 579 | V | A | 0.0000 | |
| 580 | N | A | -2.3059 | |
| 581 | K | A | -1.9477 | |
| 582 | T | A | 0.0000 | |
| 583 | H | A | -2.7734 | |
| 584 | K | A | -2.7529 | |
| 585 | E | A | -2.8491 | |
| 586 | D | A | -3.2043 | |
| 587 | I | A | 0.0000 | |
| 588 | Y | A | -1.4557 | |
| 589 | R | A | -1.9042 | |
| 590 | S | A | -0.6376 | |
| 591 | Y | A | 0.0423 | |
| 592 | A | A | 0.0000 | |
| 593 | N | A | -1.2822 | |
| 594 | L | A | 0.0000 | |
| 595 | I | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | K | A | 0.0000 | |
| 598 | S | A | -0.1191 | |
| 599 | G | A | 0.0000 | |
| 600 | T | A | -1.1754 | |
| 601 | A | A | 0.0000 | |
| 602 | E | A | -1.8653 | |
| 603 | L | A | -2.1651 | |
| 604 | K | A | -2.5499 | |
| 611 | G | A | -2.4242 | |
| 612 | R | A | -3.3798 | |
| 613 | Q | A | -3.1242 | |
| 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 | -2.3972 | |
| 623 | D | A | -2.8875 | |
| 624 | N | A | -2.6864 | |
| 625 | P | A | -1.8790 | |
| 626 | N | A | -1.7140 | |
| 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 | -1.6596 | |
| 635 | D | A | -2.5076 | |
| 636 | V | A | -1.6958 | |
| 637 | Q | A | -2.6668 | |
| 638 | D | A | -3.1550 | |
| 639 | K | A | -2.4493 | |
| 640 | G | A | -1.5124 | |
| 641 | M | A | 0.0000 | |
| 642 | A | A | -1.0354 | |
| 643 | S | A | -0.9826 | |
| 644 | Y | A | -0.2645 | |
| 645 | N | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | K | A | -1.7888 | |
| 648 | I | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | G | A | 0.0000 | |
| 651 | K | A | -1.7584 | |
| 652 | V | A | 0.0000 | |
| 653 | Y | A | 0.0000 | |
| 654 | D | A | -2.1864 | |
| 655 | E | A | -2.7435 | |
| 656 | L | A | -2.1237 | |
| 657 | Y | A | 0.0000 | |
| 658 | E | A | -3.7364 | |
| 659 | N | A | -2.9705 | |
| 660 | G | A | -2.3270 | |
| 661 | N | A | -2.5530 | |
| 662 | K | A | -2.5425 | |
| 663 | K | A | -2.5225 | |
| 664 | Y | A | -1.0902 | |
| 665 | D | A | -0.7787 | |
| 666 | I | A | 0.0000 | |
| 667 | D | A | -0.5794 | |
| 668 | E | A | 0.0000 | |
| 27 | D | B | -2.3496 | |
| 28 | K | B | -2.5650 | |
| 29 | E | B | -2.1087 | |
| 30 | I | B | 0.0000 | |
| 31 | N | B | -2.0831 | |
| 32 | N | B | -2.4589 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | D | B | -2.2846 | |
| 36 | A | B | 0.0000 | |
| 37 | I | B | 0.0000 | |
| 38 | E | B | -2.6701 | |
| 39 | D | B | -3.5793 | |
| 40 | K | B | -3.2677 | |
| 41 | N | B | -2.3461 | |
| 42 | F | B | 0.0000 | |
| 43 | K | B | -2.6117 | |
| 44 | Q | B | -2.9113 | |
| 45 | V | B | 0.0000 | |
| 46 | Y | B | -1.8765 | |
| 47 | K | B | -2.5468 | |
| 48 | D | B | -2.1938 | |
| 49 | S | B | 0.0000 | |
| 50 | S | B | -0.2800 | |
| 51 | Y | B | 1.1033 | |
| 52 | I | B | 1.6083 | |
| 53 | S | B | 0.0000 | |
| 54 | K | B | -0.8479 | |
| 55 | S | B | -0.5791 | |
| 56 | D | B | -1.8442 | |
| 57 | N | B | 0.0000 | |
| 58 | G | B | -0.9686 | |
| 59 | E | B | -1.3781 | |
| 60 | V | B | 0.0845 | |
| 61 | E | B | -0.7955 | |
| 62 | M | B | 0.0000 | |
| 63 | T | B | -1.1210 | |
| 64 | E | B | -1.5917 | |
| 65 | R | B | 0.0000 | |
| 66 | P | B | 0.0000 | |
| 67 | I | B | -0.8508 | |
| 68 | K | B | -1.9019 | |
| 69 | I | B | 0.0000 | |
| 70 | Y | B | 0.0000 | |
| 71 | N | B | -1.8460 | |
| 72 | S | B | -0.8086 | |
| 73 | L | B | 0.0000 | |
| 74 | G | B | -1.3070 | |
| 75 | V | B | -2.0567 | |
| 76 | K | B | -3.5533 | |
| 77 | D | B | -3.7016 | |
| 78 | I | B | -2.9576 | |
| 79 | N | B | -2.6217 | |
| 80 | I | B | -2.2928 | |
| 81 | Q | B | -3.1592 | |
| 82 | D | B | -3.4808 | |
| 83 | R | B | -3.3300 | |
| 84 | K | B | -2.8972 | |
| 85 | I | B | -0.5911 | |
| 86 | K | B | -2.3347 | |
| 87 | K | B | -2.8221 | |
| 94 | R | B | -3.0953 | |
| 95 | V | B | 0.0000 | |
| 96 | D | B | -2.8342 | |
| 97 | A | B | 0.0000 | |
| 98 | Q | B | -3.1505 | |
| 99 | Y | B | 0.0000 | |
| 100 | K | B | -2.6778 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -2.9192 | |
| 103 | T | B | 0.0000 | |
| 104 | N | B | -2.0368 | |
| 105 | Y | B | -0.9910 | |
| 106 | G | B | -1.5825 | |
| 107 | N | B | -2.1063 | |
| 108 | I | B | -1.3644 | |
| 109 | D | B | -2.1829 | |
| 110 | R | B | -2.0203 | |
| 111 | N | B | -2.7574 | |
| 112 | V | B | 0.0000 | |
| 113 | Q | B | -2.6910 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | -2.4207 | |
| 116 | F | B | 0.0000 | |
| 117 | V | B | -0.1219 | |
| 118 | K | B | -2.1650 | |
| 119 | E | B | -2.8080 | |
| 120 | D | B | -2.7813 | |
| 121 | G | B | -1.4221 | |
| 122 | M | B | -0.4697 | |
| 123 | W | B | -0.3968 | |
| 124 | K | B | -1.4734 | |
| 125 | L | B | 0.0000 | |
| 126 | D | B | -1.0724 | |
| 127 | W | B | 0.0000 | |
| 128 | D | B | -1.7283 | |
| 129 | H | B | 0.0000 | |
| 130 | S | B | -0.8646 | |
| 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 | 0.0000 | |
| 137 | Q | B | -1.3437 | |
| 138 | K | B | -1.9583 | |
| 139 | D | B | -1.4694 | |
| 140 | Q | B | 0.0000 | |
| 141 | S | B | 0.0000 | |
| 142 | I | B | 0.0000 | |
| 143 | H | B | 0.0000 | |
| 144 | I | B | 0.0000 | |
| 145 | E | B | 0.0000 | |
| 146 | N | B | -0.6762 | |
| 147 | L | B | 0.0000 | |
| 148 | K | B | 0.0000 | |
| 149 | S | B | -0.8429 | |
| 150 | E | B | 0.0000 | |
| 151 | R | B | -0.8747 | |
| 152 | G | B | 0.0000 | |
| 153 | K | B | -0.9869 | |
| 154 | I | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | D | B | 0.0000 | |
| 157 | R | B | -0.6858 | |
| 158 | N | B | 0.0000 | |
| 159 | N | B | -1.2194 | |
| 160 | V | B | -0.7524 | |
| 161 | E | B | -1.6437 | |
| 162 | L | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | N | B | -0.9948 | |
| 165 | T | B | -0.6296 | |
| 166 | G | B | -0.7366 | |
| 167 | T | B | -0.8748 | |
| 168 | A | B | -0.8907 | |
| 169 | Y | B | -1.0240 | |
| 170 | E | B | -0.7003 | |
| 171 | I | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | I | B | 0.0000 | |
| 174 | V | B | 0.0000 | |
| 175 | P | B | -1.1818 | |
| 176 | K | B | -2.4453 | |
| 177 | N | B | -1.8930 | |
| 178 | V | B | 0.0000 | |
| 179 | S | B | -2.0543 | |
| 180 | K | B | -3.3313 | |
| 181 | K | B | -3.0848 | |
| 182 | D | B | -2.8431 | |
| 183 | Y | B | -1.7961 | |
| 184 | K | B | -2.7068 | |
| 185 | A | B | -2.4067 | |
| 186 | I | B | 0.0000 | |
| 187 | A | B | 0.0000 | |
| 188 | K | B | -2.6542 | |
| 189 | E | B | -1.8029 | |
| 190 | L | B | 0.0000 | |
| 191 | S | B | -1.5840 | |
| 192 | I | B | 0.0000 | |
| 193 | S | B | -1.4240 | |
| 194 | E | B | -2.1690 | |
| 195 | D | B | -2.3001 | |
| 196 | Y | B | -0.8851 | |
| 197 | I | B | 0.0000 | |
| 198 | K | B | -3.1021 | |
| 199 | Q | B | -3.1796 | |
| 200 | Q | B | -2.4140 | |
| 201 | M | B | -1.9165 | |
| 202 | D | B | -3.0499 | |
| 203 | Q | B | -2.4516 | |
| 204 | N | B | -0.8429 | |
| 205 | W | B | 0.9085 | |
| 206 | V | B | 0.3820 | |
| 207 | Q | B | -0.2285 | |
| 208 | D | B | -1.2761 | |
| 209 | D | B | -1.4181 | |
| 210 | T | B | 0.0000 | |
| 211 | F | B | 0.4938 | |
| 212 | V | B | 0.0000 | |
| 213 | P | B | 0.0987 | |
| 214 | L | B | 0.3256 | |
| 215 | K | B | 0.0000 | |
| 216 | T | B | -0.4752 | |
| 217 | V | B | 0.0000 | |
| 218 | K | B | -1.7514 | |
| 219 | K | B | -2.0949 | |
| 220 | M | B | -1.6405 | |
| 221 | D | B | -2.9293 | |
| 222 | E | B | -2.5765 | |
| 223 | Y | B | -0.8999 | |
| 224 | L | B | 0.0000 | |
| 225 | S | B | -1.9348 | |
| 226 | D | B | -2.2521 | |
| 227 | F | B | -1.5309 | |
| 228 | A | B | -1.8182 | |
| 229 | K | B | -2.9289 | |
| 230 | K | B | -3.2858 | |
| 231 | F | B | 0.0000 | |
| 232 | H | B | -2.3856 | |
| 233 | L | B | -1.3200 | |
| 234 | T | B | 0.0000 | |
| 235 | T | B | -0.4934 | |
| 236 | N | B | -1.0648 | |
| 237 | E | B | -1.9712 | |
| 238 | T | B | -1.2989 | |
| 239 | E | B | -1.3233 | |
| 240 | S | B | -0.8981 | |
| 241 | R | B | 0.0000 | |
| 242 | N | B | -0.4343 | |
| 243 | Y | B | 0.0000 | |
| 244 | P | B | -0.5259 | |
| 245 | L | B | -0.2688 | |
| 246 | E | B | -0.7313 | |
| 247 | K | B | -1.0756 | |
| 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 | 0.1576 | |
| 258 | P | B | 0.6104 | |
| 259 | I | B | 1.4254 | |
| 260 | N | B | -0.5290 | |
| 261 | S | B | -1.2483 | |
| 262 | E | B | -2.8716 | |
| 263 | E | B | -2.1175 | |
| 264 | L | B | -1.4513 | |
| 265 | K | B | -3.1986 | |
| 266 | Q | B | -3.3137 | |
| 267 | K | B | -3.2388 | |
| 268 | E | B | -2.8662 | |
| 269 | Y | B | 0.0000 | |
| 270 | K | B | -1.3521 | |
| 271 | G | B | -0.3797 | |
| 272 | Y | B | -0.1074 | |
| 273 | K | B | -1.1713 | |
| 274 | D | B | -2.1685 | |
| 275 | D | B | -1.5951 | |
| 276 | A | B | 0.0000 | |
| 277 | V | B | -0.2267 | |
| 278 | I | B | 0.0000 | |
| 279 | G | B | 0.0000 | |
| 280 | K | B | -0.9676 | |
| 281 | K | B | -1.1578 | |
| 282 | G | B | -0.5462 | |
| 283 | L | B | 0.0000 | |
| 284 | E | B | 0.0000 | |
| 285 | K | B | -1.3909 | |
| 286 | L | B | -0.6474 | |
| 287 | Y | B | 0.0000 | |
| 288 | D | B | -1.5995 | |
| 289 | K | B | -2.2222 | |
| 290 | K | B | -1.8358 | |
| 291 | L | B | 0.0000 | |
| 292 | Q | B | -1.4066 | |
| 293 | H | B | 0.0000 | |
| 294 | E | B | -1.5658 | |
| 295 | D | B | 0.0000 | |
| 296 | G | B | 0.0000 | |
| 297 | Y | B | -1.1282 | |
| 298 | R | B | -1.2483 | |
| 299 | V | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | I | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | D | B | -1.4585 | |
| 304 | D | B | -0.9812 | |
| 306 | S | B | 0.0000 | |
| 307 | N | B | -1.1052 | |
| 308 | T | B | -0.7425 | |
| 309 | I | B | -0.4731 | |
| 310 | A | B | -0.2480 | |
| 311 | H | B | -0.4187 | |
| 312 | T | B | -0.5388 | |
| 313 | L | B | 0.0000 | |
| 314 | I | B | -1.0161 | |
| 315 | E | B | -2.5377 | |
| 316 | K | B | -2.7017 | |
| 317 | K | B | -2.8922 | |
| 318 | K | B | -1.9278 | |
| 319 | K | B | -1.4488 | |
| 320 | D | B | -1.0013 | |
| 321 | G | B | -0.7790 | |
| 322 | K | B | 0.0000 | |
| 323 | D | B | 0.0000 | |
| 324 | I | B | 0.0000 | |
| 325 | Q | B | -0.9856 | |
| 326 | L | B | 0.0000 | |
| 327 | T | B | 0.0000 | |
| 328 | I | B | 0.0000 | |
| 329 | D | B | -0.5501 | |
| 330 | A | B | -0.7212 | |
| 331 | K | B | -1.0262 | |
| 332 | V | B | 0.0000 | |
| 333 | Q | B | 0.0000 | |
| 334 | K | B | -1.8077 | |
| 335 | S | B | -1.5749 | |
| 336 | I | B | 0.0000 | |
| 337 | Y | B | -1.4911 | |
| 338 | N | B | -2.2105 | |
| 339 | N | B | 0.0000 | |
| 340 | M | B | 0.0000 | |
| 341 | K | B | -2.6052 | |
| 342 | N | B | -2.0421 | |
| 343 | D | B | 0.0000 | |
| 344 | Y | B | -0.3323 | |
| 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 | -0.4632 | |
| 353 | Q | B | -0.7044 | |
| 354 | T | B | -0.3519 | |
| 355 | G | B | -0.6922 | |
| 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 | 0.0000 | |
| 365 | S | B | -1.4236 | |
| 366 | Y | B | 0.0000 | |
| 367 | D | B | -0.4627 | |
| 368 | V | B | 0.0000 | |
| 369 | Y | B | 0.0000 | |
| 370 | P | B | 0.0000 | |
| 371 | F | B | 1.2847 | |
| 372 | M | B | 0.5445 | |
| 373 | Y | B | 0.0000 | |
| 374 | G | B | -0.0100 | |
| 375 | M | B | -0.5310 | |
| 376 | S | B | 0.0000 | |
| 377 | N | B | -2.5713 | |
| 378 | E | B | -3.3970 | |
| 379 | E | B | -2.3652 | |
| 380 | Y | B | -1.5779 | |
| 381 | N | B | -3.5123 | |
| 382 | K | B | -3.8737 | |
| 383 | L | B | 0.0000 | |
| 384 | T | B | -2.4241 | |
| 385 | E | B | -3.9654 | |
| 386 | D | B | -3.4883 | |
| 387 | K | B | -2.0752 | |
| 388 | K | B | -1.8537 | |
| 389 | E | B | -0.1364 | |
| 390 | P | B | 0.0000 | |
| 391 | L | B | 1.6915 | |
| 392 | L | B | 2.1905 | |
| 393 | N | B | 1.0870 | |
| 394 | K | B | 0.8831 | |
| 395 | F | B | 0.0000 | |
| 396 | Q | B | 1.1383 | |
| 397 | I | B | 2.0669 | |
| 398 | T | B | 0.0000 | |
| 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 | -1.7926 | |
| 415 | N | B | -2.3621 | |
| 416 | N | B | -2.8353 | |
| 417 | K | B | -3.1787 | |
| 418 | T | B | 0.0000 | |
| 419 | L | B | 0.0000 | |
| 420 | D | B | -2.2847 | |
| 421 | D | B | -2.9550 | |
| 422 | K | B | -2.2006 | |
| 423 | T | B | -1.9051 | |
| 424 | S | B | -1.7883 | |
| 425 | Y | B | 0.0000 | |
| 426 | K | B | -3.1893 | |
| 427 | I | B | 0.0000 | |
| 428 | D | B | -3.1091 | |
| 429 | G | B | -2.4815 | |
| 430 | K | B | -2.9062 | |
| 431 | G | B | 0.0000 | |
| 432 | W | B | 0.0000 | |
| 433 | Q | B | -1.9272 | |
| 434 | K | B | -2.7749 | |
| 435 | D | B | -2.1066 | |
| 436 | K | B | -1.3521 | |
| 437 | S | B | -0.8219 | |
| 438 | W | B | 0.2438 | |
| 439 | G | B | -0.0344 | |
| 440 | G | B | -0.2772 | |
| 441 | Y | B | 0.5183 | |
| 442 | N | B | -0.7053 | |
| 443 | V | B | 0.0000 | |
| 444 | T | B | -1.2276 | |
| 445 | R | B | -2.0479 | |
| 446 | Y | B | -0.4638 | |
| 447 | E | B | -0.8481 | |
| 448 | V | B | 0.0000 | |
| 449 | V | B | -1.5303 | |
| 450 | N | B | -2.1961 | |
| 451 | G | B | -2.3856 | |
| 452 | N | B | -2.5860 | |
| 453 | I | B | 0.0000 | |
| 454 | D | B | -1.8846 | |
| 455 | L | B | 0.0000 | |
| 456 | K | B | -1.7637 | |
| 457 | Q | B | -1.7128 | |
| 458 | A | B | 0.0000 | |
| 459 | I | B | 0.0000 | |
| 460 | E | B | -2.0046 | |
| 461 | S | B | -1.0138 | |
| 462 | S | B | 0.0000 | |
| 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 | -0.7804 | |
| 470 | V | B | 0.0000 | |
| 471 | A | B | 0.0000 | |
| 472 | L | B | -0.8486 | |
| 473 | E | B | -1.6375 | |
| 474 | L | B | 0.0000 | |
| 475 | G | B | -2.1227 | |
| 476 | S | B | -2.5771 | |
| 477 | K | B | -3.7372 | |
| 478 | K | B | -4.2462 | |
| 479 | F | B | 0.0000 | |
| 480 | E | B | -4.0514 | |
| 481 | K | B | -4.4110 | |
| 482 | G | B | 0.0000 | |
| 483 | M | B | 0.0000 | |
| 484 | K | B | -3.5520 | |
| 485 | K | B | -2.9327 | |
| 486 | L | B | 0.0000 | |
| 487 | G | B | 0.0000 | |
| 488 | V | B | 0.0000 | |
| 489 | G | B | -2.5644 | |
| 490 | E | B | -2.1766 | |
| 491 | D | B | -1.8201 | |
| 492 | I | B | -0.0211 | |
| 493 | P | B | 0.3710 | |
| 494 | S | B | -0.0788 | |
| 495 | D | B | -0.5284 | |
| 496 | Y | B | 0.9076 | |
| 497 | P | B | 1.1082 | |
| 498 | F | B | 1.4916 | |
| 499 | Y | B | 0.0000 | |
| 500 | N | B | -1.1178 | |
| 501 | A | B | 0.0000 | |
| 502 | Q | B | -1.8146 | |
| 503 | I | B | -0.6242 | |
| 508 | L | B | -0.2400 | |
| 509 | D | B | -1.5854 | |
| 510 | N | B | -1.4990 | |
| 511 | E | B | -1.0355 | |
| 512 | I | B | 0.0000 | |
| 513 | L | B | -0.0997 | |
| 514 | L | B | 0.0000 | |
| 515 | A | B | 0.0000 | |
| 516 | D | B | 0.0000 | |
| 517 | S | B | 0.0000 | |
| 518 | G | B | 0.0000 | |
| 519 | Y | B | 0.0000 | |
| 520 | G | B | 0.0000 | |
| 521 | Q | B | -0.7518 | |
| 522 | G | B | -0.9720 | |
| 523 | E | B | -1.6375 | |
| 524 | I | B | -0.3473 | |
| 525 | L | B | -0.0820 | |
| 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 | 0.0000 | |
| 539 | E | B | -1.5642 | |
| 540 | N | B | -2.0635 | |
| 541 | N | B | -2.7986 | |
| 542 | G | B | 0.0000 | |
| 543 | N | B | -2.3290 | |
| 544 | I | B | 0.0000 | |
| 545 | N | B | -1.1108 | |
| 546 | A | B | 0.0000 | |
| 547 | P | B | 0.0000 | |
| 548 | H | B | 0.0000 | |
| 549 | L | B | 0.0000 | |
| 550 | L | B | 0.0000 | |
| 551 | K | B | 0.0000 | |
| 552 | D | B | -2.3021 | |
| 553 | T | B | -1.7035 | |
| 554 | K | B | -2.0233 | |
| 555 | N | B | -1.7764 | |
| 556 | K | B | -1.9214 | |
| 557 | V | B | -0.8761 | |
| 558 | W | B | -0.9069 | |
| 559 | K | B | -2.4751 | |
| 560 | K | B | -2.1994 | |
| 561 | N | B | -2.5298 | |
| 562 | I | B | 0.0000 | |
| 563 | I | B | 0.0000 | |
| 564 | S | B | -2.1814 | |
| 565 | K | B | -2.7794 | |
| 566 | E | B | -1.9123 | |
| 567 | N | B | 0.0000 | |
| 568 | I | B | 0.0000 | |
| 569 | N | B | -1.7171 | |
| 570 | L | B | -1.1255 | |
| 571 | L | B | 0.0000 | |
| 572 | T | B | -1.1908 | |
| 573 | D | B | -1.5209 | |
| 574 | G | B | 0.0000 | |
| 575 | M | B | 0.0000 | |
| 576 | Q | B | -2.3430 | |
| 577 | Q | B | -2.7263 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.0000 | |
| 580 | N | B | -3.4931 | |
| 581 | K | B | -3.5432 | |
| 582 | T | B | -2.7474 | |
| 583 | H | B | -3.2473 | |
| 584 | K | B | -2.9530 | |
| 585 | E | B | -3.2542 | |
| 586 | D | B | -2.7323 | |
| 587 | I | B | 0.0000 | |
| 588 | Y | B | -1.7395 | |
| 589 | R | B | -1.5450 | |
| 590 | S | B | -1.0013 | |
| 591 | Y | B | 0.0000 | |
| 592 | A | B | -1.5722 | |
| 593 | N | B | 0.0000 | |
| 594 | L | B | 0.0000 | |
| 595 | I | B | 0.0000 | |
| 596 | G | B | 0.0000 | |
| 597 | K | B | 0.0000 | |
| 598 | S | B | 0.0000 | |
| 599 | G | B | 0.0000 | |
| 600 | T | B | 0.0000 | |
| 601 | A | B | 0.0000 | |
| 602 | E | B | -2.1482 | |
| 603 | L | B | 0.0000 | |
| 604 | K | B | -2.5854 | |
| 611 | G | B | -2.0660 | |
| 612 | R | B | -2.6449 | |
| 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 | -0.3469 | |
| 621 | D | B | 0.0000 | |
| 622 | K | B | -2.7334 | |
| 623 | D | B | -3.3501 | |
| 624 | N | B | -2.5135 | |
| 625 | P | B | -1.5262 | |
| 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 | 0.0000 | |
| 635 | D | B | -1.0426 | |
| 636 | V | B | 0.1131 | |
| 637 | Q | B | -1.0800 | |
| 638 | D | B | -2.2316 | |
| 639 | K | B | -1.7145 | |
| 640 | G | B | -1.0588 | |
| 641 | M | B | 0.0000 | |
| 642 | A | B | -0.5815 | |
| 643 | S | B | -0.7356 | |
| 644 | Y | B | -0.4451 | |
| 645 | N | B | 0.0000 | |
| 646 | A | B | 0.0000 | |
| 647 | K | B | -1.5143 | |
| 648 | I | B | 0.0000 | |
| 649 | S | B | 0.0000 | |
| 650 | G | B | 0.0000 | |
| 651 | K | B | -1.9572 | |
| 652 | V | B | 0.0000 | |
| 653 | Y | B | 0.0000 | |
| 654 | D | B | -2.3229 | |
| 655 | E | B | -3.2226 | |
| 656 | L | B | -1.6872 | |
| 657 | Y | B | -2.0522 | |
| 658 | E | B | -3.2578 | |
| 659 | N | B | -3.0538 | |
| 660 | G | B | -2.4555 | |
| 661 | N | B | -2.3868 | |
| 662 | K | B | -2.8333 | |
| 663 | K | B | -3.0079 | |
| 664 | Y | B | -1.9656 | |
| 665 | D | B | -1.9229 | |
| 666 | I | B | 0.0000 | |
| 667 | D | B | 0.0000 | |
| 668 | E | B | -1.2358 |
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, -0.9766 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_2 | -0.9766 | View | CSV | PDB |
| model_4 | -0.9899 | View | CSV | PDB |
| model_5 | -1.0027 | View | CSV | PDB |
| model_1 | -1.0182 | View | CSV | PDB |
| model_11 | -1.0197 | View | CSV | PDB |
| model_0 | -1.02 | View | CSV | PDB |
| model_7 | -1.0205 | View | CSV | PDB |
| CABS_average | -1.0249 | View | CSV | PDB |
| model_9 | -1.0268 | View | CSV | PDB |
| model_8 | -1.0484 | View | CSV | PDB |
| model_10 | -1.0543 | View | CSV | PDB |
| model_3 | -1.0571 | View | CSV | PDB |
| model_6 | -1.0647 | 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