Project name: 8308328b27be06a
Status: done
Started: 2026-02-06 11:23:50
| 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 (00:00:02)
[INFO] CABS: Running CABS flex simulation (00:47:40)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (07:57:59)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (07:58:25)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (07:58:50)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (07:59:15)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (07:59:40)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:00:05)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:00:31)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:00:56)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:01:21)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:01:46)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:02:11)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:02:36)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:03:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:03:54)
[INFO] Main: Simulation completed successfully. (08:04:18)
|
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
- -4.8226
- Maximal score value
- 2.2257
- Average score
- -0.9406
- Total score value
- -1185.1433
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 | -3.3241 | |
| 28 | K | A | -3.6755 | |
| 29 | E | A | -3.4270 | |
| 30 | I | A | 0.0000 | |
| 31 | N | A | -3.5131 | |
| 32 | N | A | -3.3606 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | D | A | -3.3612 | |
| 36 | A | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | E | A | -3.1242 | |
| 39 | D | A | -3.4487 | |
| 40 | K | A | -3.1366 | |
| 41 | N | A | -2.4135 | |
| 42 | F | A | -1.4687 | |
| 43 | K | A | -2.3522 | |
| 44 | Q | A | -2.1373 | |
| 45 | V | A | 0.0000 | |
| 46 | Y | A | 0.0000 | |
| 47 | K | A | -2.2186 | |
| 48 | D | A | -1.2561 | |
| 49 | S | A | 0.0000 | |
| 50 | S | A | 0.2870 | |
| 51 | Y | A | 1.0963 | |
| 52 | I | A | 1.6863 | |
| 53 | S | A | -0.2014 | |
| 54 | K | A | -0.8821 | |
| 55 | S | A | -0.6102 | |
| 56 | D | A | -1.7055 | |
| 57 | N | A | 0.0000 | |
| 58 | G | A | -1.4547 | |
| 59 | E | A | -2.1439 | |
| 60 | V | A | 0.0860 | |
| 61 | E | A | -1.0914 | |
| 62 | M | A | 0.0000 | |
| 63 | T | A | -0.6797 | |
| 64 | E | A | -0.7837 | |
| 65 | R | A | -0.6597 | |
| 66 | P | A | 0.0000 | |
| 67 | I | A | -0.0728 | |
| 68 | K | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | Y | A | 0.1052 | |
| 71 | N | A | -0.5069 | |
| 72 | S | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | G | A | -0.4077 | |
| 75 | V | A | -0.5387 | |
| 76 | K | A | -2.0704 | |
| 77 | D | A | -3.2428 | |
| 78 | I | A | 0.0000 | |
| 79 | N | A | -2.5623 | |
| 80 | I | A | -2.3952 | |
| 81 | Q | A | -2.4381 | |
| 82 | D | A | -2.7831 | |
| 83 | R | A | -2.4790 | |
| 84 | K | A | -1.7563 | |
| 85 | I | A | -1.0446 | |
| 86 | K | A | -2.1858 | |
| 87 | K | A | -2.2298 | |
| 88 | V | A | -0.4044 | |
| 89 | S | A | -1.3723 | |
| 90 | K | A | -2.4813 | |
| 91 | N | A | -2.7043 | |
| 92 | K | A | -2.3326 | |
| 93 | K | A | -1.9534 | |
| 94 | R | A | -1.4981 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -1.9059 | |
| 97 | A | A | 0.0000 | |
| 98 | Q | A | -2.8241 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -3.3047 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -3.2020 | |
| 103 | T | A | 0.0000 | |
| 104 | N | A | -1.3594 | |
| 105 | Y | A | -0.0983 | |
| 106 | G | A | -1.0637 | |
| 107 | N | A | -2.3673 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | -2.9374 | |
| 110 | R | A | -2.3008 | |
| 111 | N | A | -2.7661 | |
| 112 | V | A | 0.0000 | |
| 113 | Q | A | -1.4592 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2237 | |
| 116 | F | A | 0.0000 | |
| 117 | V | A | -1.1358 | |
| 118 | K | A | -2.1708 | |
| 119 | E | A | -2.0005 | |
| 120 | D | A | -2.1801 | |
| 121 | G | A | -1.2972 | |
| 122 | M | A | -0.4879 | |
| 123 | W | A | 0.0000 | |
| 124 | K | A | -0.7587 | |
| 125 | L | A | 0.0000 | |
| 126 | D | A | -0.8286 | |
| 127 | W | A | 0.0000 | |
| 128 | D | A | -2.2694 | |
| 129 | H | A | -1.6497 | |
| 130 | S | A | -1.0929 | |
| 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 | -1.9169 | |
| 138 | K | A | -2.5873 | |
| 139 | D | A | -2.0448 | |
| 140 | Q | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | H | A | 0.0000 | |
| 144 | I | A | -0.1385 | |
| 145 | E | A | 0.0000 | |
| 146 | N | A | -1.2632 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -2.4376 | |
| 149 | S | A | 0.0000 | |
| 150 | E | A | -2.0392 | |
| 151 | R | A | -1.4317 | |
| 152 | G | A | -0.8242 | |
| 153 | K | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | D | A | 0.0000 | |
| 157 | R | A | -0.4785 | |
| 158 | N | A | -0.8350 | |
| 159 | N | A | -0.9259 | |
| 160 | V | A | -0.5585 | |
| 161 | E | A | -0.8229 | |
| 162 | L | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | N | A | -0.9084 | |
| 165 | T | A | -1.1611 | |
| 166 | G | A | -1.1285 | |
| 167 | T | A | -1.5621 | |
| 168 | A | A | 0.0000 | |
| 169 | Y | A | -1.3778 | |
| 170 | E | A | -0.7029 | |
| 171 | I | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | P | A | 0.0000 | |
| 176 | K | A | -2.3144 | |
| 177 | N | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | S | A | -2.5805 | |
| 180 | K | A | -3.0326 | |
| 181 | K | A | -3.1040 | |
| 182 | D | A | -3.3372 | |
| 183 | Y | A | -3.0977 | |
| 184 | K | A | -3.4051 | |
| 185 | A | A | -2.5532 | |
| 186 | I | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | K | A | -3.0743 | |
| 189 | E | A | -2.1379 | |
| 190 | L | A | 0.0000 | |
| 191 | S | A | -1.0648 | |
| 192 | I | A | 0.0000 | |
| 193 | S | A | -2.3038 | |
| 194 | E | A | -3.6636 | |
| 195 | D | A | -2.9242 | |
| 196 | Y | A | -1.2441 | |
| 197 | I | A | 0.0000 | |
| 198 | K | A | -3.3817 | |
| 199 | Q | A | -2.7810 | |
| 200 | Q | A | -1.9243 | |
| 201 | M | A | -2.0867 | |
| 202 | D | A | -2.8454 | |
| 203 | Q | A | -1.9809 | |
| 204 | N | A | -0.8981 | |
| 205 | W | A | -0.8268 | |
| 206 | V | A | -0.3442 | |
| 207 | Q | A | -0.6128 | |
| 208 | D | A | -1.1247 | |
| 209 | D | A | -0.6408 | |
| 210 | T | A | -0.5062 | |
| 211 | F | A | -0.0636 | |
| 212 | V | A | 0.0000 | |
| 213 | P | A | 0.1156 | |
| 214 | L | A | 0.5517 | |
| 215 | K | A | 0.0000 | |
| 216 | T | A | -0.3069 | |
| 217 | V | A | 0.0000 | |
| 218 | K | A | 0.0000 | |
| 219 | K | A | -1.6200 | |
| 220 | M | A | 0.0000 | |
| 221 | D | A | -3.1566 | |
| 222 | E | A | -3.1104 | |
| 223 | Y | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | S | A | -2.6020 | |
| 226 | D | A | -3.1207 | |
| 227 | F | A | -2.1357 | |
| 228 | A | A | -2.0798 | |
| 229 | K | A | -2.9907 | |
| 230 | K | A | -3.0123 | |
| 231 | F | A | 0.0000 | |
| 232 | H | A | -1.4684 | |
| 233 | L | A | -0.4983 | |
| 234 | T | A | 0.0000 | |
| 235 | T | A | -0.6929 | |
| 236 | N | A | -1.2635 | |
| 237 | E | A | -2.3724 | |
| 238 | T | A | -1.9212 | |
| 239 | E | A | -2.4478 | |
| 240 | S | A | -1.5568 | |
| 241 | R | A | -1.0581 | |
| 242 | N | A | -0.8083 | |
| 243 | Y | A | 0.0000 | |
| 244 | P | A | 0.1957 | |
| 245 | L | A | 0.9179 | |
| 246 | E | A | -0.0185 | |
| 247 | K | A | -0.4258 | |
| 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 | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | P | A | 0.4700 | |
| 259 | I | A | 1.4977 | |
| 260 | N | A | 0.0623 | |
| 261 | S | A | -0.2862 | |
| 262 | E | A | -1.0874 | |
| 263 | E | A | -1.9260 | |
| 264 | L | A | -1.2577 | |
| 265 | K | A | -2.6091 | |
| 266 | Q | A | -2.3819 | |
| 267 | K | A | -2.4609 | |
| 268 | E | A | -2.9280 | |
| 269 | Y | A | 0.0000 | |
| 270 | K | A | -1.8667 | |
| 271 | G | A | -1.4823 | |
| 272 | Y | A | -0.9346 | |
| 273 | K | A | -1.7984 | |
| 274 | D | A | -2.2810 | |
| 275 | D | A | -1.2173 | |
| 276 | A | A | -0.3534 | |
| 277 | V | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | K | A | -1.0777 | |
| 281 | K | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | 0.0000 | |
| 285 | K | A | -0.9413 | |
| 286 | L | A | 0.0000 | |
| 287 | Y | A | -0.6580 | |
| 288 | D | A | 0.0000 | |
| 289 | K | A | -2.5054 | |
| 290 | K | A | -1.1965 | |
| 291 | L | A | -0.7410 | |
| 292 | Q | A | -1.0931 | |
| 293 | H | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | D | A | -2.2306 | |
| 296 | G | A | 0.0000 | |
| 297 | Y | A | -0.8284 | |
| 298 | R | A | -0.7214 | |
| 299 | V | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | D | A | 0.0000 | |
| 304 | D | A | -1.4085 | |
| 306 | S | A | 0.0000 | |
| 307 | N | A | -1.1022 | |
| 308 | T | A | -0.3302 | |
| 309 | I | A | 0.4192 | |
| 310 | A | A | 0.0000 | |
| 311 | H | A | 0.3135 | |
| 312 | T | A | -0.0207 | |
| 313 | L | A | -0.3866 | |
| 314 | I | A | -0.5660 | |
| 315 | E | A | -1.5660 | |
| 316 | K | A | -2.0371 | |
| 317 | K | A | -2.0013 | |
| 318 | K | A | -2.3652 | |
| 319 | K | A | 0.0000 | |
| 320 | D | A | -0.8421 | |
| 321 | G | A | 0.0000 | |
| 322 | K | A | -0.6660 | |
| 323 | D | A | 0.0000 | |
| 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 | 0.0000 | |
| 331 | K | A | -1.8034 | |
| 332 | V | A | 0.0000 | |
| 333 | Q | A | 0.0000 | |
| 334 | K | A | -1.7854 | |
| 335 | S | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | Y | A | 0.0000 | |
| 338 | N | A | -2.1738 | |
| 339 | N | A | 0.0000 | |
| 340 | M | A | 0.0000 | |
| 341 | K | A | -2.3017 | |
| 342 | N | A | -1.3256 | |
| 343 | D | A | -1.0954 | |
| 344 | Y | A | -0.8454 | |
| 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 | -0.9639 | |
| 354 | T | A | -0.7687 | |
| 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 | -0.7918 | |
| 366 | Y | A | 0.0000 | |
| 367 | D | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | Y | A | 0.7990 | |
| 370 | P | A | 0.0000 | |
| 371 | F | A | 2.2257 | |
| 372 | M | A | 1.2785 | |
| 373 | Y | A | 0.0000 | |
| 374 | G | A | 0.2272 | |
| 375 | M | A | 0.2649 | |
| 376 | S | A | 0.0000 | |
| 377 | N | A | -1.6633 | |
| 378 | E | A | -2.2605 | |
| 379 | E | A | -1.5431 | |
| 380 | Y | A | -0.8752 | |
| 381 | N | A | -2.3207 | |
| 382 | K | A | -2.1279 | |
| 383 | L | A | -0.7718 | |
| 384 | T | A | -1.3446 | |
| 385 | E | A | -1.5544 | |
| 386 | D | A | -1.8363 | |
| 387 | K | A | -1.5543 | |
| 388 | K | A | -0.5615 | |
| 389 | E | A | -0.2351 | |
| 390 | P | A | 0.0000 | |
| 391 | L | A | 0.5623 | |
| 392 | L | A | 0.0000 | |
| 393 | N | A | -1.0907 | |
| 394 | K | A | -1.3658 | |
| 395 | F | A | 0.0000 | |
| 396 | Q | A | -0.2270 | |
| 397 | I | A | 0.0000 | |
| 398 | T | A | 0.0000 | |
| 399 | T | A | -0.5290 | |
| 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 | -1.8722 | |
| 416 | N | A | -2.2928 | |
| 417 | K | A | -3.2228 | |
| 418 | T | A | -2.4131 | |
| 419 | L | A | 0.0000 | |
| 420 | D | A | -2.8262 | |
| 421 | D | A | -3.0293 | |
| 422 | K | A | -2.6289 | |
| 423 | T | A | -1.8570 | |
| 424 | S | A | -1.7154 | |
| 425 | Y | A | -1.8720 | |
| 426 | K | A | -3.0585 | |
| 427 | I | A | 0.0000 | |
| 428 | D | A | -3.3977 | |
| 429 | G | A | -2.5437 | |
| 430 | K | A | -2.8241 | |
| 431 | G | A | -1.8447 | |
| 432 | W | A | -1.8508 | |
| 433 | Q | A | -2.7198 | |
| 434 | K | A | -2.6051 | |
| 435 | D | A | -2.7595 | |
| 436 | K | A | -2.3890 | |
| 437 | S | A | -0.9010 | |
| 438 | W | A | 0.3342 | |
| 439 | G | A | -0.7478 | |
| 440 | G | A | 0.0000 | |
| 441 | Y | A | 0.0000 | |
| 442 | N | A | -2.3329 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -1.2474 | |
| 445 | R | A | -1.0224 | |
| 446 | Y | A | -1.0188 | |
| 447 | E | A | -2.0839 | |
| 448 | V | A | 0.0000 | |
| 449 | V | A | -1.8843 | |
| 450 | N | A | -2.4803 | |
| 451 | G | A | -2.6849 | |
| 452 | N | A | -2.1015 | |
| 453 | I | A | 0.0000 | |
| 454 | D | A | -1.6437 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -1.3058 | |
| 457 | Q | A | -1.4712 | |
| 458 | A | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | E | A | -1.6861 | |
| 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 | 0.0000 | |
| 470 | V | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | L | A | 0.2663 | |
| 473 | E | A | -0.6891 | |
| 474 | L | A | 0.0000 | |
| 475 | G | A | -1.6700 | |
| 476 | S | A | -2.4598 | |
| 477 | K | A | -3.3578 | |
| 478 | K | A | -2.9593 | |
| 479 | F | A | 0.0000 | |
| 480 | E | A | 0.0000 | |
| 481 | K | A | -2.9132 | |
| 482 | G | A | 0.0000 | |
| 483 | M | A | 0.0000 | |
| 484 | K | A | -3.1321 | |
| 485 | K | A | -3.0219 | |
| 486 | L | A | 0.0000 | |
| 487 | G | A | 0.0000 | |
| 488 | V | A | 0.0000 | |
| 489 | G | A | -0.8191 | |
| 490 | E | A | -0.0506 | |
| 491 | D | A | 0.0000 | |
| 492 | I | A | 1.3470 | |
| 493 | P | A | 0.6468 | |
| 494 | S | A | -0.0744 | |
| 495 | D | A | -0.3837 | |
| 496 | Y | A | 0.0000 | |
| 497 | P | A | -0.1809 | |
| 498 | F | A | 0.0000 | |
| 499 | Y | A | 0.8973 | |
| 500 | N | A | 0.1387 | |
| 501 | A | A | -0.5427 | |
| 502 | Q | A | -1.3058 | |
| 503 | I | A | 0.0000 | |
| 504 | S | A | -1.5348 | |
| 505 | N | A | -2.3098 | |
| 506 | K | A | -2.0017 | |
| 507 | N | A | -2.4165 | |
| 508 | L | A | 0.0000 | |
| 509 | D | A | -3.2685 | |
| 510 | N | A | -2.3256 | |
| 511 | E | A | -1.6914 | |
| 512 | I | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 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 | -1.6352 | |
| 522 | G | A | 0.0000 | |
| 523 | E | A | -1.8920 | |
| 524 | I | A | 0.0000 | |
| 525 | L | A | -0.6304 | |
| 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 | 0.0000 | |
| 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 | -1.6521 | |
| 540 | N | A | -1.5217 | |
| 541 | N | A | -2.1679 | |
| 542 | G | A | 0.0000 | |
| 543 | N | A | -1.1955 | |
| 544 | I | A | 0.0000 | |
| 545 | N | A | 0.0000 | |
| 546 | A | A | 0.1673 | |
| 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 | -1.4748 | |
| 553 | T | A | -1.1867 | |
| 554 | K | A | -1.1503 | |
| 555 | N | A | -0.7416 | |
| 556 | K | A | 0.1458 | |
| 557 | V | A | 1.2430 | |
| 558 | W | A | 0.4767 | |
| 559 | K | A | -1.4282 | |
| 560 | K | A | -1.9014 | |
| 561 | N | A | -2.2673 | |
| 562 | I | A | -1.6132 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -2.3987 | |
| 565 | K | A | -3.1419 | |
| 566 | E | A | -3.2113 | |
| 567 | N | A | 0.0000 | |
| 568 | I | A | -1.8735 | |
| 569 | N | A | -2.5005 | |
| 570 | L | A | -1.3507 | |
| 571 | L | A | 0.0000 | |
| 572 | T | A | -1.1479 | |
| 573 | D | A | -1.6015 | |
| 574 | G | A | 0.0000 | |
| 575 | M | A | 0.0000 | |
| 576 | Q | A | -2.2385 | |
| 577 | Q | A | -2.1536 | |
| 578 | V | A | 0.0000 | |
| 579 | V | A | 0.0000 | |
| 580 | N | A | -2.2617 | |
| 581 | K | A | -2.3625 | |
| 582 | T | A | -1.8483 | |
| 583 | H | A | -1.8318 | |
| 584 | K | A | 0.0000 | |
| 585 | E | A | -2.9617 | |
| 586 | D | A | -2.6693 | |
| 587 | I | A | -0.6171 | |
| 588 | Y | A | 0.8548 | |
| 589 | R | A | 0.0000 | |
| 590 | S | A | 0.5900 | |
| 591 | Y | A | 0.6807 | |
| 592 | A | A | 0.0000 | |
| 593 | N | A | -0.6896 | |
| 594 | L | A | 0.0000 | |
| 595 | I | A | -0.9397 | |
| 596 | G | A | 0.0000 | |
| 597 | K | A | 0.0000 | |
| 598 | S | A | 0.0000 | |
| 599 | G | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | E | A | -2.3471 | |
| 603 | L | A | -2.1764 | |
| 604 | K | A | -2.6620 | |
| 611 | G | A | -2.2541 | |
| 612 | R | A | -2.4354 | |
| 613 | Q | A | -2.6533 | |
| 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 | -1.9904 | |
| 623 | D | A | -1.8154 | |
| 624 | N | A | -1.6104 | |
| 625 | P | A | -1.1998 | |
| 626 | N | A | -1.1339 | |
| 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 | 0.0000 | |
| 635 | D | A | -1.9665 | |
| 636 | V | A | -0.7137 | |
| 637 | Q | A | -1.7777 | |
| 638 | D | A | -2.2676 | |
| 639 | K | A | -2.1983 | |
| 640 | G | A | -1.4445 | |
| 641 | M | A | 0.0000 | |
| 642 | A | A | -0.8226 | |
| 643 | S | A | -1.1116 | |
| 644 | Y | A | -0.4217 | |
| 645 | N | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | K | A | -2.0807 | |
| 648 | I | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | G | A | 0.0000 | |
| 651 | K | A | -2.2064 | |
| 652 | V | A | 0.0000 | |
| 653 | Y | A | 0.0000 | |
| 654 | D | A | -2.2126 | |
| 655 | E | A | -2.5793 | |
| 656 | L | A | 0.0000 | |
| 657 | Y | A | -2.6551 | |
| 658 | E | A | -3.4054 | |
| 659 | N | A | -3.1672 | |
| 660 | G | A | -2.2265 | |
| 661 | N | A | -2.3109 | |
| 662 | K | A | -2.1866 | |
| 663 | K | A | -2.2328 | |
| 664 | Y | A | -0.8779 | |
| 665 | D | A | -0.9390 | |
| 666 | I | A | -0.3544 | |
| 667 | D | A | 0.0000 | |
| 668 | E | A | 0.0000 | |
| 27 | D | B | -3.1050 | |
| 28 | K | B | -3.1796 | |
| 29 | E | B | -2.4370 | |
| 30 | I | B | 0.0000 | |
| 31 | N | B | -2.5285 | |
| 32 | N | B | -2.6324 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | D | B | -2.3357 | |
| 36 | A | B | 0.0000 | |
| 37 | I | B | 0.0000 | |
| 38 | E | B | -2.5987 | |
| 39 | D | B | -3.2256 | |
| 40 | K | B | -2.7863 | |
| 41 | N | B | -1.8540 | |
| 42 | F | B | 0.0000 | |
| 43 | K | B | -2.3629 | |
| 44 | Q | B | -2.6453 | |
| 45 | V | B | 0.0000 | |
| 46 | Y | B | -1.8466 | |
| 47 | K | B | -2.3778 | |
| 48 | D | B | -2.1589 | |
| 49 | S | B | -1.1927 | |
| 50 | S | B | -0.0857 | |
| 51 | Y | B | 0.9918 | |
| 52 | I | B | 1.4366 | |
| 53 | S | B | -0.3807 | |
| 54 | K | B | -1.1571 | |
| 55 | S | B | -0.8700 | |
| 56 | D | B | -2.2843 | |
| 57 | N | B | 0.0000 | |
| 58 | G | B | -1.8212 | |
| 59 | E | B | -1.8443 | |
| 60 | V | B | -0.1542 | |
| 61 | E | B | 0.0000 | |
| 62 | M | B | 0.0000 | |
| 63 | T | B | -1.3691 | |
| 64 | E | B | -2.2302 | |
| 65 | R | B | 0.0000 | |
| 66 | P | B | 0.0000 | |
| 67 | I | B | -1.5621 | |
| 68 | K | B | -2.2536 | |
| 69 | I | B | 0.0000 | |
| 70 | Y | B | 0.0000 | |
| 71 | N | B | -2.0778 | |
| 72 | S | B | -1.4843 | |
| 73 | L | B | 0.0000 | |
| 74 | G | B | -1.7580 | |
| 75 | V | B | -2.4238 | |
| 76 | K | B | -3.6745 | |
| 77 | D | B | -3.7744 | |
| 78 | I | B | -3.1254 | |
| 79 | N | B | -2.8995 | |
| 80 | I | B | -2.1477 | |
| 81 | Q | B | -2.7173 | |
| 82 | D | B | -2.4651 | |
| 83 | R | B | -2.7069 | |
| 84 | K | B | -2.2174 | |
| 85 | I | B | 0.2270 | |
| 86 | K | B | -0.8071 | |
| 87 | K | B | -1.4136 | |
| 94 | R | B | -1.5191 | |
| 95 | V | B | -0.9341 | |
| 96 | D | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | Q | B | -2.1021 | |
| 99 | Y | B | 0.0000 | |
| 100 | K | B | -2.5318 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -3.0945 | |
| 103 | T | B | 0.0000 | |
| 104 | N | B | -2.4924 | |
| 105 | Y | B | -1.4409 | |
| 106 | G | B | -1.6682 | |
| 107 | N | B | -2.1996 | |
| 108 | I | B | 0.0000 | |
| 109 | D | B | -1.8827 | |
| 110 | R | B | 0.0000 | |
| 111 | N | B | -1.4043 | |
| 112 | V | B | 0.0000 | |
| 113 | Q | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | -1.2218 | |
| 116 | F | B | -0.5136 | |
| 117 | V | B | 0.2504 | |
| 118 | K | B | -1.7982 | |
| 119 | E | B | -2.2419 | |
| 120 | D | B | -2.4980 | |
| 121 | G | B | -1.3869 | |
| 122 | M | B | -0.1137 | |
| 123 | W | B | -0.8212 | |
| 124 | K | B | -1.3207 | |
| 125 | L | B | 0.0000 | |
| 126 | D | B | -0.6792 | |
| 127 | W | B | 0.0000 | |
| 128 | D | B | -1.0370 | |
| 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 | -0.4837 | |
| 137 | Q | B | -1.5810 | |
| 138 | K | B | -2.7816 | |
| 139 | D | B | -2.2705 | |
| 140 | Q | B | 0.0000 | |
| 141 | S | B | 0.0000 | |
| 142 | I | B | 0.0000 | |
| 143 | H | B | 0.0000 | |
| 144 | I | B | -0.2358 | |
| 145 | E | B | -0.4061 | |
| 146 | N | B | -0.7111 | |
| 147 | L | B | -0.8875 | |
| 148 | K | B | 0.0000 | |
| 149 | S | B | -0.8931 | |
| 150 | E | B | 0.0000 | |
| 151 | R | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 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 | -0.3493 | |
| 160 | V | B | 0.1845 | |
| 161 | E | B | -0.1462 | |
| 162 | L | B | 0.0000 | |
| 163 | A | B | 0.0000 | |
| 164 | N | B | 0.0000 | |
| 165 | T | B | -0.6721 | |
| 166 | G | B | -0.5879 | |
| 167 | T | B | -0.6318 | |
| 168 | A | B | -0.5159 | |
| 169 | Y | B | -0.6122 | |
| 170 | E | B | -0.7469 | |
| 171 | I | B | 0.0000 | |
| 172 | G | B | 0.0000 | |
| 173 | I | B | 0.0000 | |
| 174 | V | B | 0.0000 | |
| 175 | P | B | -1.1737 | |
| 176 | K | B | -2.2385 | |
| 177 | N | B | -1.7307 | |
| 178 | V | B | -1.6364 | |
| 179 | S | B | -2.3882 | |
| 180 | K | B | -3.1167 | |
| 181 | K | B | -2.9869 | |
| 182 | D | B | -2.6604 | |
| 183 | Y | B | -2.3445 | |
| 184 | K | B | -2.7510 | |
| 185 | A | B | -2.3936 | |
| 186 | I | B | 0.0000 | |
| 187 | A | B | 0.0000 | |
| 188 | K | B | -2.7849 | |
| 189 | E | B | -2.1430 | |
| 190 | L | B | 0.0000 | |
| 191 | S | B | -1.2910 | |
| 192 | I | B | 0.0000 | |
| 193 | S | B | -1.9577 | |
| 194 | E | B | -2.9001 | |
| 195 | D | B | -2.4357 | |
| 196 | Y | B | -1.5377 | |
| 197 | I | B | 0.0000 | |
| 198 | K | B | -3.1279 | |
| 199 | Q | B | -3.0940 | |
| 200 | Q | B | -2.1570 | |
| 201 | M | B | -1.4130 | |
| 202 | D | B | -2.8536 | |
| 203 | Q | B | -2.2912 | |
| 204 | N | B | -1.5444 | |
| 205 | W | B | 0.0774 | |
| 206 | V | B | 0.7498 | |
| 207 | Q | B | -0.3317 | |
| 208 | D | B | -1.1405 | |
| 209 | D | B | -1.0763 | |
| 210 | T | B | 0.0000 | |
| 211 | F | B | 0.3776 | |
| 212 | V | B | 0.0000 | |
| 213 | P | B | -0.1758 | |
| 214 | L | B | 0.0000 | |
| 215 | K | B | 0.0000 | |
| 216 | T | B | 0.0000 | |
| 217 | V | B | 0.0000 | |
| 218 | K | B | -1.2316 | |
| 219 | K | B | -1.0402 | |
| 220 | M | B | 0.0000 | |
| 221 | D | B | -2.7778 | |
| 222 | E | B | -2.8176 | |
| 223 | Y | B | -1.6597 | |
| 224 | L | B | 0.0000 | |
| 225 | S | B | -2.3257 | |
| 226 | D | B | -3.0379 | |
| 227 | F | B | -2.4013 | |
| 228 | A | B | -2.1449 | |
| 229 | K | B | -3.1539 | |
| 230 | K | B | -3.1972 | |
| 231 | F | B | 0.0000 | |
| 232 | H | B | -1.9967 | |
| 233 | L | B | 0.0000 | |
| 234 | T | B | -0.9125 | |
| 235 | T | B | -1.0465 | |
| 236 | N | B | -1.3049 | |
| 237 | E | B | -1.9877 | |
| 238 | T | B | -1.2663 | |
| 239 | E | B | -1.3344 | |
| 240 | S | B | -0.6549 | |
| 241 | R | B | 0.0000 | |
| 242 | N | B | -0.5426 | |
| 243 | Y | B | 0.0000 | |
| 244 | P | B | -0.5255 | |
| 245 | L | B | -0.5615 | |
| 246 | E | B | -1.2813 | |
| 247 | K | B | -1.2179 | |
| 248 | A | B | 0.0000 | |
| 249 | T | B | 0.0000 | |
| 250 | S | B | 0.0000 | |
| 251 | H | B | -0.2911 | |
| 252 | L | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | G | B | 0.0000 | |
| 255 | Y | B | -0.2070 | |
| 256 | V | B | 0.0000 | |
| 257 | G | B | 0.0000 | |
| 258 | P | B | -0.4203 | |
| 259 | I | B | -1.2134 | |
| 260 | N | B | -2.5359 | |
| 261 | S | B | -3.1699 | |
| 262 | E | B | -4.1225 | |
| 263 | E | B | -4.5000 | |
| 264 | L | B | 0.0000 | |
| 265 | K | B | -4.8008 | |
| 266 | Q | B | -4.2846 | |
| 267 | K | B | -4.8226 | |
| 268 | E | B | -4.1909 | |
| 269 | Y | B | 0.0000 | |
| 270 | K | B | -2.1930 | |
| 271 | G | B | -1.1475 | |
| 272 | Y | B | 0.0000 | |
| 273 | K | B | -1.1821 | |
| 274 | D | B | -1.2976 | |
| 275 | D | B | 0.0000 | |
| 276 | A | B | -0.6465 | |
| 277 | V | B | 0.0000 | |
| 278 | I | B | -1.4958 | |
| 279 | G | B | 0.0000 | |
| 280 | K | B | -1.5153 | |
| 281 | K | B | 0.0000 | |
| 282 | G | B | -0.4234 | |
| 283 | L | B | 0.0704 | |
| 284 | E | B | 0.0000 | |
| 285 | K | B | -1.5070 | |
| 286 | L | B | 0.2130 | |
| 287 | Y | B | 0.0000 | |
| 288 | D | B | -1.9935 | |
| 289 | K | B | -2.8394 | |
| 290 | K | B | -1.9266 | |
| 291 | L | B | 0.0000 | |
| 292 | Q | B | -2.0327 | |
| 293 | H | B | 0.0000 | |
| 294 | E | B | 0.0000 | |
| 295 | D | B | -1.5948 | |
| 296 | G | B | 0.0000 | |
| 297 | Y | B | 0.0000 | |
| 298 | R | B | -1.1833 | |
| 299 | V | B | 0.0000 | |
| 300 | T | B | 0.0000 | |
| 301 | I | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | D | B | -0.8421 | |
| 304 | D | B | -0.9325 | |
| 306 | S | B | -0.5021 | |
| 307 | N | B | -0.4517 | |
| 308 | T | B | 0.3651 | |
| 309 | I | B | 1.5575 | |
| 310 | A | B | 0.7455 | |
| 311 | H | B | 0.1970 | |
| 312 | T | B | 0.0487 | |
| 313 | L | B | -0.4265 | |
| 314 | I | B | 0.0000 | |
| 315 | E | B | -1.7087 | |
| 316 | K | B | -2.2962 | |
| 317 | K | B | -2.8096 | |
| 318 | K | B | -2.2330 | |
| 319 | K | B | -1.9723 | |
| 320 | D | B | -1.7710 | |
| 321 | G | B | -1.8197 | |
| 322 | K | B | -1.8563 | |
| 323 | D | B | 0.0000 | |
| 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 | 0.0000 | |
| 331 | K | B | -1.2530 | |
| 332 | V | B | 0.0000 | |
| 333 | Q | B | 0.0000 | |
| 334 | K | B | -1.8481 | |
| 335 | S | B | 0.0000 | |
| 336 | I | B | 0.0000 | |
| 337 | Y | B | -1.3816 | |
| 338 | N | B | -2.2539 | |
| 339 | N | B | -1.8415 | |
| 340 | M | B | 0.0000 | |
| 341 | K | B | -1.5664 | |
| 342 | N | B | -0.9810 | |
| 343 | D | B | -1.1347 | |
| 344 | Y | B | -0.6609 | |
| 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 | -0.6708 | |
| 353 | Q | B | -1.1928 | |
| 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 | 0.1026 | |
| 361 | V | B | 0.0000 | |
| 362 | S | B | 0.0000 | |
| 363 | T | B | 0.0000 | |
| 364 | P | B | 0.0000 | |
| 365 | S | B | -0.6397 | |
| 366 | Y | B | 0.2910 | |
| 367 | D | B | -0.3655 | |
| 368 | V | B | 0.0000 | |
| 369 | Y | B | 0.0000 | |
| 370 | P | B | 0.0000 | |
| 371 | F | B | 0.9933 | |
| 372 | M | B | 0.4871 | |
| 373 | Y | B | 0.2835 | |
| 374 | G | B | 0.1361 | |
| 375 | M | B | -0.0401 | |
| 376 | S | B | -0.8103 | |
| 377 | N | B | -1.5056 | |
| 378 | E | B | -1.9277 | |
| 379 | E | B | -1.7783 | |
| 380 | Y | B | -1.3513 | |
| 381 | N | B | -2.8139 | |
| 382 | K | B | -2.9641 | |
| 383 | L | B | -2.4781 | |
| 384 | T | B | -2.8670 | |
| 385 | E | B | -3.5355 | |
| 386 | D | B | -3.3079 | |
| 387 | K | B | -2.7890 | |
| 388 | K | B | -2.6151 | |
| 389 | E | B | -1.1447 | |
| 390 | P | B | -0.4797 | |
| 391 | L | B | 0.2003 | |
| 392 | L | B | 0.0000 | |
| 393 | N | B | 0.1141 | |
| 394 | K | B | 0.0000 | |
| 395 | F | B | 0.0000 | |
| 396 | Q | B | 1.0940 | |
| 397 | I | B | 2.2073 | |
| 398 | T | B | 0.0000 | |
| 399 | T | B | 0.3869 | |
| 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 | 0.0000 | |
| 415 | N | B | -0.9528 | |
| 416 | N | B | -1.5520 | |
| 417 | K | B | -3.2136 | |
| 418 | T | B | -2.4105 | |
| 419 | L | B | -2.2749 | |
| 420 | D | B | -3.1920 | |
| 421 | D | B | -3.4976 | |
| 422 | K | B | -3.6036 | |
| 423 | T | B | -2.6871 | |
| 424 | S | B | -2.2898 | |
| 425 | Y | B | -2.2687 | |
| 426 | K | B | -3.3711 | |
| 427 | I | B | 0.0000 | |
| 428 | D | B | -3.2985 | |
| 429 | G | B | -2.7051 | |
| 430 | K | B | -2.9915 | |
| 431 | G | B | -2.2224 | |
| 432 | W | B | -1.9947 | |
| 433 | Q | B | -2.7327 | |
| 434 | K | B | -2.3008 | |
| 435 | D | B | -3.1951 | |
| 436 | K | B | -2.8816 | |
| 437 | S | B | -1.5223 | |
| 438 | W | B | -1.0655 | |
| 439 | G | B | -1.6437 | |
| 440 | G | B | -1.4729 | |
| 441 | Y | B | -0.9768 | |
| 442 | N | B | -2.1407 | |
| 443 | V | B | 0.0000 | |
| 444 | T | B | -1.8227 | |
| 445 | R | B | -2.4048 | |
| 446 | Y | B | -1.1580 | |
| 447 | E | B | -2.1453 | |
| 448 | V | B | 0.0000 | |
| 449 | V | B | -2.4207 | |
| 450 | N | B | -2.6870 | |
| 451 | G | B | -2.8436 | |
| 452 | N | B | -2.9371 | |
| 453 | I | B | 0.0000 | |
| 454 | D | B | -2.0543 | |
| 455 | L | B | 0.0000 | |
| 456 | K | B | -1.2427 | |
| 457 | Q | B | -1.6827 | |
| 458 | A | B | 0.0000 | |
| 459 | I | B | 0.0000 | |
| 460 | E | B | -1.5653 | |
| 461 | S | B | 0.0000 | |
| 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 | 0.0133 | |
| 470 | V | B | 0.0000 | |
| 471 | A | B | 0.0000 | |
| 472 | L | B | 0.0685 | |
| 473 | E | B | -0.6202 | |
| 474 | L | B | -0.9034 | |
| 475 | G | B | -1.5210 | |
| 476 | S | B | -2.5441 | |
| 477 | K | B | -3.7490 | |
| 478 | K | B | -3.5717 | |
| 479 | F | B | 0.0000 | |
| 480 | E | B | -3.5553 | |
| 481 | K | B | -4.3106 | |
| 482 | G | B | -3.0515 | |
| 483 | M | B | 0.0000 | |
| 484 | K | B | -3.7051 | |
| 485 | K | B | -3.1050 | |
| 486 | L | B | 0.0000 | |
| 487 | G | B | 0.0000 | |
| 488 | V | B | 0.0000 | |
| 489 | G | B | -1.4123 | |
| 490 | E | B | -1.7177 | |
| 491 | D | B | -1.9255 | |
| 492 | I | B | 0.0000 | |
| 493 | P | B | -0.6575 | |
| 494 | S | B | -0.3517 | |
| 495 | D | B | 0.0000 | |
| 496 | Y | B | 0.7404 | |
| 497 | P | B | 0.4735 | |
| 498 | F | B | 1.3474 | |
| 499 | Y | B | 2.0898 | |
| 500 | N | B | 0.7857 | |
| 501 | A | B | 0.0065 | |
| 502 | Q | B | -0.3002 | |
| 503 | I | B | -0.0341 | |
| 508 | L | B | -0.6244 | |
| 509 | D | B | -2.4622 | |
| 510 | N | B | -2.3748 | |
| 511 | E | B | -2.2511 | |
| 512 | I | B | -1.6162 | |
| 513 | L | B | -1.2846 | |
| 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 | 0.0000 | |
| 522 | G | B | 0.0000 | |
| 523 | E | B | 0.0000 | |
| 524 | I | B | 0.0000 | |
| 525 | L | B | 0.1182 | |
| 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 | -1.1502 | |
| 540 | N | B | -1.5685 | |
| 541 | N | B | -1.3004 | |
| 542 | G | B | 0.0000 | |
| 543 | N | B | -0.7903 | |
| 544 | I | B | 0.0000 | |
| 545 | N | B | -0.0980 | |
| 546 | A | B | 0.0000 | |
| 547 | P | B | 0.0000 | |
| 548 | H | B | 0.0000 | |
| 549 | L | B | 0.0000 | |
| 550 | L | B | -0.3768 | |
| 551 | K | B | 0.0000 | |
| 552 | D | B | -1.9229 | |
| 553 | T | B | -1.2313 | |
| 554 | K | B | -1.0943 | |
| 555 | N | B | -0.7185 | |
| 556 | K | B | -0.0839 | |
| 557 | V | B | 0.8837 | |
| 558 | W | B | -0.0330 | |
| 559 | K | B | -1.5312 | |
| 560 | K | B | -1.6929 | |
| 561 | N | B | -0.8130 | |
| 562 | I | B | 0.8086 | |
| 563 | I | B | 0.0000 | |
| 564 | S | B | -1.5730 | |
| 565 | K | B | -2.3824 | |
| 566 | E | B | -2.9534 | |
| 567 | N | B | -2.3561 | |
| 568 | I | B | 0.0000 | |
| 569 | N | B | -1.8405 | |
| 570 | L | B | -0.9451 | |
| 571 | L | B | 0.0000 | |
| 572 | T | B | -1.0542 | |
| 573 | D | B | -1.0621 | |
| 574 | G | B | 0.0000 | |
| 575 | M | B | 0.0000 | |
| 576 | Q | B | -1.4574 | |
| 577 | Q | B | -2.0878 | |
| 578 | V | B | 0.0000 | |
| 579 | V | B | 0.0000 | |
| 580 | N | B | -3.2701 | |
| 581 | K | B | -3.2644 | |
| 582 | T | B | -2.3873 | |
| 583 | H | B | -2.3998 | |
| 584 | K | B | -3.6544 | |
| 585 | E | B | -3.4998 | |
| 586 | D | B | -2.3110 | |
| 587 | I | B | 0.0000 | |
| 588 | Y | B | -1.8593 | |
| 589 | R | B | -3.1002 | |
| 590 | S | B | -1.8657 | |
| 591 | Y | B | 0.0000 | |
| 592 | A | B | -2.2666 | |
| 593 | N | B | -1.5050 | |
| 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 | -1.4307 | |
| 603 | L | B | -1.5553 | |
| 604 | K | B | -2.5092 | |
| 611 | G | B | -2.4050 | |
| 612 | R | B | -2.8806 | |
| 613 | Q | B | -2.0265 | |
| 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 | -0.3824 | |
| 621 | D | B | 0.0000 | |
| 622 | K | B | -1.9468 | |
| 623 | D | B | -2.5768 | |
| 624 | N | B | 0.0000 | |
| 625 | P | B | 0.0000 | |
| 626 | N | B | -1.9205 | |
| 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 | -2.0327 | |
| 636 | V | B | 0.0000 | |
| 637 | Q | B | -3.0870 | |
| 638 | D | B | -3.3106 | |
| 639 | K | B | -2.9306 | |
| 640 | G | B | -2.3351 | |
| 641 | M | B | -0.7726 | |
| 642 | A | B | 0.0000 | |
| 643 | S | B | 0.0000 | |
| 644 | Y | B | -0.7450 | |
| 645 | N | B | 0.0000 | |
| 646 | A | B | 0.0000 | |
| 647 | K | B | -1.2092 | |
| 648 | I | B | 0.0000 | |
| 649 | S | B | 0.0000 | |
| 650 | G | B | 0.0000 | |
| 651 | K | B | -2.1087 | |
| 652 | V | B | 0.0000 | |
| 653 | Y | B | 0.0000 | |
| 654 | D | B | -2.4561 | |
| 655 | E | B | -3.3072 | |
| 656 | L | B | 0.0000 | |
| 657 | Y | B | -3.2375 | |
| 658 | E | B | -4.1896 | |
| 659 | N | B | -3.5360 | |
| 660 | G | B | -3.2074 | |
| 661 | N | B | -3.1866 | |
| 662 | K | B | -3.8006 | |
| 663 | K | B | -3.4544 | |
| 664 | Y | B | -2.5193 | |
| 665 | D | B | -2.6356 | |
| 666 | I | B | -1.2909 | |
| 667 | D | B | -1.6103 | |
| 668 | E | B | -1.9565 |
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, -0.9406 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_10 | -0.9406 | View | CSV | PDB |
| model_6 | -0.9456 | View | CSV | PDB |
| model_8 | -0.9557 | View | CSV | PDB |
| model_2 | -0.9663 | View | CSV | PDB |
| model_3 | -0.967 | View | CSV | PDB |
| model_9 | -0.9823 | View | CSV | PDB |
| model_7 | -0.9858 | View | CSV | PDB |
| CABS_average | -0.9887 | View | CSV | PDB |
| model_1 | -1.0051 | View | CSV | PDB |
| model_4 | -1.0065 | View | CSV | PDB |
| model_0 | -1.0164 | View | CSV | PDB |
| model_5 | -1.042 | View | CSV | PDB |
| model_11 | -1.0515 | 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