Project name: C15_A2_EF_A4_EF_DIRECT
Status: done
Started: 2026-07-21 10:53:35
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQDATQKPNTAKHPALEATQPGVRLDDCGLTEARCKDISSALRVDATQKPNTAKHPALEATQPGELNLRSNELGDVGVHCVLQGLQDATQKPNTAKHPALEATQPGKLSLQNCCLTGAGCGVLSSTLRTDATQKPNTAKHPALEATQPGELHLSDNLLGDAGLQLLCEGLLDATQKPNTAKHPALEATQPGKLQLEYCSLSAASCEPLASVLRADATQKPNTAKHPALEATQPGELTVSNNDINEAGVRVLCQGLKDDATQKPNTAKHPALEATQPGALKLESCGVTSDNCRDLCGIVASDATQKPNTAKHPALEATQPGELALGSNKLGDVGMAELCPGLLSERSKPNNPAQYPAFSVTNPGTLWIWECGITAKGCGDLCRVLRASERSKPNNPAQYPAFSVTNPGELSLAGNELGDEGARLLCETLLSERSKPNNPAQYPAFSVTNPGSLWVKSCSFTAACCSHFSSVLAQSERSKPNNPAQYPAFSVTNPGELQISNNRLEDAGVRELCQGLGSERSKPNNPAQYPAFSVTNPGVLWLADCDVSDSSCSSLAATLLASERSKPNNPAQYPAFSVTNPGELDLSNNCLGDAGILQLVESVRSERSKPNNPAQYPAFSVTNPGQLVLYDIYWSEEMEDRLQALEKDSERSKPNNPAQYPAFSVTNPGRVIS
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:15:03)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:03:05)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:03:13)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:03:21)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:03:30)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:03:38)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:03:47)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:03:55)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:04:04)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:04:12)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:04:21)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:04:30)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:04:38)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:04:47)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:05:08)
[INFO] Main: Simulation completed successfully. (03:05:16)
|
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
- -4.683
- Maximal score value
- 2.4491
- Average score
- -0.7229
- Total score value
- -503.8653
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | S | A | 0.2657 | |
| 2 | L | A | 1.4861 | |
| 3 | D | A | 0.8128 | |
| 4 | I | A | 1.6375 | |
| 5 | Q | A | 0.0486 | |
| 6 | S | A | -0.7935 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.6237 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.9410 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.7980 | |
| 13 | E | A | -3.4270 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.3290 | |
| 16 | D | A | -2.5063 | |
| 17 | A | A | -1.8816 | |
| 18 | R | A | -2.9369 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7032 | |
| 21 | E | A | -2.3658 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.4244 | |
| 24 | P | A | -0.5926 | |
| 25 | L | A | -0.1803 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.3626 | |
| 28 | D | A | -0.6418 | |
| 29 | A | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | Q | A | -0.8545 | |
| 32 | K | A | 0.0000 | |
| 33 | P | A | -0.6887 | |
| 34 | N | A | -1.3825 | |
| 35 | T | A | -0.7490 | |
| 36 | A | A | -0.5583 | |
| 37 | K | A | -0.6747 | |
| 38 | H | A | -0.5305 | |
| 39 | P | A | -0.5719 | |
| 40 | A | A | 0.0000 | |
| 41 | L | A | -0.4652 | |
| 42 | E | A | -0.6735 | |
| 43 | A | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | Q | A | -0.2551 | |
| 46 | P | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -2.7511 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.8544 | |
| 52 | D | A | -3.6781 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -2.2496 | |
| 57 | E | A | -2.4008 | |
| 58 | A | A | -1.4576 | |
| 59 | R | A | -1.8390 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -1.5476 | |
| 62 | D | A | -1.3891 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -0.4688 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -0.4658 | |
| 69 | V | A | 1.1612 | |
| 70 | D | A | 0.0000 | |
| 71 | A | A | -0.3747 | |
| 72 | T | A | 0.0000 | |
| 73 | Q | A | -0.9871 | |
| 74 | K | A | -1.2854 | |
| 75 | P | A | -1.5575 | |
| 76 | N | A | -2.3588 | |
| 77 | T | A | -1.8799 | |
| 78 | A | A | 0.0000 | |
| 79 | K | A | -2.5269 | |
| 80 | H | A | -1.6103 | |
| 81 | P | A | -0.8812 | |
| 82 | A | A | -0.5994 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.8587 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | Q | A | 0.0000 | |
| 88 | P | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | E | A | -1.8046 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -1.8471 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -2.9914 | |
| 95 | S | A | 0.0000 | |
| 96 | N | A | -3.6001 | |
| 97 | E | A | -3.6709 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -1.5310 | |
| 100 | D | A | -0.9435 | |
| 101 | V | A | -0.2652 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.7742 | |
| 105 | C | A | -0.8300 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | -0.6789 | |
| 108 | Q | A | -1.3107 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.6179 | |
| 112 | D | A | -2.0326 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | Q | A | 0.0000 | |
| 116 | K | A | -0.7154 | |
| 117 | P | A | 0.0000 | |
| 118 | N | A | -1.7186 | |
| 119 | T | A | -1.7134 | |
| 120 | A | A | 0.0000 | |
| 121 | K | A | -2.9391 | |
| 122 | H | A | 0.0000 | |
| 123 | P | A | -1.3724 | |
| 124 | A | A | -0.6156 | |
| 125 | L | A | -0.5099 | |
| 126 | E | A | -0.8342 | |
| 127 | A | A | 0.0000 | |
| 128 | T | A | -0.3715 | |
| 129 | Q | A | 0.0000 | |
| 130 | P | A | 0.0000 | |
| 131 | G | A | -1.1113 | |
| 132 | K | A | -1.9510 | |
| 133 | L | A | -1.0222 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -2.1926 | |
| 137 | N | A | -2.8250 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | -0.2429 | |
| 142 | G | A | -0.3704 | |
| 143 | A | A | -0.1821 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.4463 | |
| 147 | V | A | -0.3038 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.8454 | |
| 150 | S | A | -0.9607 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -2.2907 | |
| 154 | T | A | -1.3492 | |
| 155 | D | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | T | A | -0.8891 | |
| 158 | Q | A | 0.0000 | |
| 159 | K | A | -1.5651 | |
| 160 | P | A | -1.6355 | |
| 161 | N | A | -2.2459 | |
| 162 | T | A | -1.8653 | |
| 163 | A | A | -1.8801 | |
| 164 | K | A | -2.8006 | |
| 165 | H | A | 0.0000 | |
| 166 | P | A | -1.2447 | |
| 167 | A | A | -0.4762 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -0.3654 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -0.2272 | |
| 172 | Q | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | G | A | -0.9256 | |
| 175 | E | A | -1.3056 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -1.0432 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | -1.2827 | |
| 180 | D | A | -1.7524 | |
| 181 | N | A | -1.4737 | |
| 182 | L | A | -0.0169 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | -0.3384 | |
| 185 | D | A | -0.7031 | |
| 186 | A | A | -0.4156 | |
| 187 | G | A | -0.2052 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.0571 | |
| 190 | L | A | -0.2073 | |
| 191 | L | A | -0.3027 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -2.0170 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -1.0606 | |
| 197 | D | A | -1.6691 | |
| 198 | A | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | Q | A | -1.1917 | |
| 201 | K | A | 0.0000 | |
| 202 | P | A | 0.0000 | |
| 203 | N | A | -2.1943 | |
| 204 | T | A | -1.9274 | |
| 205 | A | A | -1.6182 | |
| 206 | K | A | -2.6400 | |
| 207 | H | A | 0.0000 | |
| 208 | P | A | -0.9679 | |
| 209 | A | A | 0.0000 | |
| 210 | L | A | 0.0547 | |
| 211 | E | A | 0.0000 | |
| 212 | A | A | 0.1079 | |
| 213 | T | A | 0.0000 | |
| 214 | Q | A | 0.0000 | |
| 215 | P | A | -0.4714 | |
| 216 | G | A | -0.9809 | |
| 217 | K | A | -1.2828 | |
| 218 | L | A | -0.5980 | |
| 219 | Q | A | -0.5171 | |
| 220 | L | A | -0.3462 | |
| 221 | E | A | -0.9306 | |
| 222 | Y | A | -0.3561 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.7250 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.2152 | |
| 227 | A | A | -1.0856 | |
| 228 | A | A | -0.7859 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -2.0543 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | -0.7876 | |
| 234 | A | A | -1.4012 | |
| 235 | S | A | -0.9723 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.5073 | |
| 239 | A | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | A | A | -1.0770 | |
| 242 | T | A | -0.8715 | |
| 243 | Q | A | 0.0000 | |
| 244 | K | A | -2.1015 | |
| 245 | P | A | -1.5402 | |
| 246 | N | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | A | A | -0.7505 | |
| 249 | K | A | -0.7914 | |
| 250 | H | A | 0.0000 | |
| 251 | P | A | 0.1232 | |
| 252 | A | A | 0.0828 | |
| 253 | L | A | 1.0029 | |
| 254 | E | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | T | A | -0.1472 | |
| 257 | Q | A | 0.0000 | |
| 258 | P | A | 0.0000 | |
| 259 | G | A | -0.8368 | |
| 260 | E | A | -1.0371 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | -0.5085 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -1.2333 | |
| 266 | N | A | -1.4072 | |
| 267 | D | A | -2.1500 | |
| 268 | I | A | -1.4755 | |
| 269 | N | A | -1.4888 | |
| 270 | E | A | -1.6330 | |
| 271 | A | A | -1.1864 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -1.9606 | |
| 275 | V | A | -1.3780 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -2.4788 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -2.7870 | |
| 282 | D | A | -2.3761 | |
| 283 | D | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | T | A | -1.4861 | |
| 286 | Q | A | -1.5078 | |
| 287 | K | A | 0.0000 | |
| 288 | P | A | -1.3282 | |
| 289 | N | A | -1.5761 | |
| 290 | T | A | 0.0000 | |
| 291 | A | A | -1.3675 | |
| 292 | K | A | -2.2856 | |
| 293 | H | A | 0.0000 | |
| 294 | P | A | -1.2394 | |
| 295 | A | A | -0.7501 | |
| 296 | L | A | 0.0000 | |
| 297 | E | A | -2.2525 | |
| 298 | A | A | -0.9718 | |
| 299 | T | A | -0.4108 | |
| 300 | Q | A | -0.7454 | |
| 301 | P | A | -0.5106 | |
| 302 | G | A | -0.5239 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | -0.2166 | |
| 305 | K | A | 0.0000 | |
| 306 | L | A | -0.3452 | |
| 307 | E | A | -1.0252 | |
| 308 | S | A | -1.2339 | |
| 309 | C | A | -1.1337 | |
| 310 | G | A | -1.3206 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -0.9128 | |
| 313 | S | A | -0.7736 | |
| 314 | D | A | -1.5778 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.3956 | |
| 318 | D | A | -2.0690 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -1.0428 | |
| 321 | G | A | -1.3525 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | -0.4976 | |
| 325 | S | A | -0.7911 | |
| 326 | D | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | Q | A | 0.0000 | |
| 330 | K | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | N | A | -1.5661 | |
| 333 | T | A | -1.6175 | |
| 334 | A | A | -1.1445 | |
| 335 | K | A | -2.1804 | |
| 336 | H | A | -1.4570 | |
| 337 | P | A | -0.6565 | |
| 338 | A | A | -0.0705 | |
| 339 | L | A | 0.5394 | |
| 340 | E | A | -0.7234 | |
| 341 | A | A | 0.0000 | |
| 342 | T | A | -0.4280 | |
| 343 | Q | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | G | A | -0.3270 | |
| 346 | E | A | -0.4191 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0312 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | -0.6630 | |
| 351 | S | A | -0.9102 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.1653 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.8105 | |
| 356 | D | A | -0.3855 | |
| 357 | V | A | 0.7380 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.4820 | |
| 361 | E | A | -1.1092 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.7824 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | -0.4727 | |
| 368 | S | A | -0.2633 | |
| 369 | E | A | -0.6914 | |
| 370 | R | A | 0.0000 | |
| 371 | S | A | 0.0000 | |
| 372 | K | A | 0.0000 | |
| 373 | P | A | -1.0770 | |
| 374 | N | A | -1.2377 | |
| 375 | N | A | 0.0000 | |
| 376 | P | A | -0.5493 | |
| 377 | A | A | -0.6678 | |
| 378 | Q | A | -1.2601 | |
| 379 | Y | A | 0.0000 | |
| 380 | P | A | -0.7658 | |
| 381 | A | A | -0.1225 | |
| 382 | F | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | T | A | 0.0000 | |
| 386 | N | A | 0.0000 | |
| 387 | P | A | 0.0000 | |
| 388 | G | A | -0.5273 | |
| 389 | T | A | -0.4861 | |
| 390 | L | A | 0.0000 | |
| 391 | W | A | 0.2215 | |
| 392 | I | A | 0.0000 | |
| 393 | W | A | -0.3259 | |
| 394 | E | A | -1.6001 | |
| 395 | C | A | 0.0000 | |
| 396 | G | A | -1.9133 | |
| 397 | I | A | 0.0000 | |
| 398 | T | A | -2.0246 | |
| 399 | A | A | -2.1834 | |
| 400 | K | A | -1.8863 | |
| 401 | G | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | G | A | -1.6571 | |
| 404 | D | A | -1.3369 | |
| 405 | L | A | 0.0000 | |
| 406 | C | A | -1.4709 | |
| 407 | R | A | -2.3119 | |
| 408 | V | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | R | A | -2.0983 | |
| 411 | A | A | 0.0000 | |
| 412 | S | A | 0.0000 | |
| 413 | E | A | -1.9002 | |
| 414 | R | A | -2.6402 | |
| 415 | S | A | -1.6933 | |
| 416 | K | A | -1.4831 | |
| 417 | P | A | -1.0577 | |
| 418 | N | A | -1.1407 | |
| 419 | N | A | -1.1683 | |
| 420 | P | A | -0.7897 | |
| 421 | A | A | -0.7040 | |
| 422 | Q | A | -0.8703 | |
| 423 | Y | A | -0.4455 | |
| 424 | P | A | -0.5372 | |
| 425 | A | A | 0.0738 | |
| 426 | F | A | 0.0000 | |
| 427 | S | A | -0.1607 | |
| 428 | V | A | 0.0000 | |
| 429 | T | A | 0.0000 | |
| 430 | N | A | 0.0000 | |
| 431 | P | A | 0.0000 | |
| 432 | G | A | -0.7925 | |
| 433 | E | A | -1.0734 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | N | A | -2.6183 | |
| 440 | E | A | -2.8500 | |
| 441 | L | A | 0.0000 | |
| 442 | G | A | -2.6641 | |
| 443 | D | A | -3.5064 | |
| 444 | E | A | -3.5039 | |
| 445 | G | A | 0.0000 | |
| 446 | A | A | 0.0000 | |
| 447 | R | A | -3.1837 | |
| 448 | L | A | -2.1733 | |
| 449 | L | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | E | A | -1.6350 | |
| 452 | T | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | L | A | -0.7845 | |
| 455 | S | A | -0.8242 | |
| 456 | E | A | 0.0000 | |
| 457 | R | A | 0.0000 | |
| 458 | S | A | -1.4037 | |
| 459 | K | A | -1.3069 | |
| 460 | P | A | -1.1088 | |
| 461 | N | A | -1.5752 | |
| 462 | N | A | 0.0000 | |
| 463 | P | A | -1.1508 | |
| 464 | A | A | -1.0303 | |
| 465 | Q | A | -1.3451 | |
| 466 | Y | A | -0.9439 | |
| 467 | P | A | 0.0000 | |
| 468 | A | A | -0.1374 | |
| 469 | F | A | 0.0000 | |
| 470 | S | A | 0.0051 | |
| 471 | V | A | 0.0000 | |
| 472 | T | A | -0.1455 | |
| 473 | N | A | 0.0000 | |
| 474 | P | A | 0.0000 | |
| 475 | G | A | -0.7850 | |
| 476 | S | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | W | A | -0.0311 | |
| 479 | V | A | 0.0000 | |
| 480 | K | A | -0.6816 | |
| 481 | S | A | -1.4737 | |
| 482 | C | A | 0.0000 | |
| 483 | S | A | -1.7340 | |
| 484 | F | A | 0.0000 | |
| 485 | T | A | -1.1788 | |
| 486 | A | A | -0.9810 | |
| 487 | A | A | -0.6384 | |
| 488 | C | A | 0.0000 | |
| 489 | C | A | 0.0000 | |
| 490 | S | A | -0.9227 | |
| 491 | H | A | -0.8761 | |
| 492 | F | A | 0.0000 | |
| 493 | S | A | -0.7438 | |
| 494 | S | A | -0.8300 | |
| 495 | V | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | A | A | -1.1587 | |
| 498 | Q | A | 0.0000 | |
| 499 | S | A | 0.0000 | |
| 500 | E | A | -2.9146 | |
| 501 | R | A | -2.9331 | |
| 502 | S | A | 0.0000 | |
| 503 | K | A | -1.8450 | |
| 504 | P | A | -1.9564 | |
| 505 | N | A | -1.9026 | |
| 506 | N | A | -1.5522 | |
| 507 | P | A | -1.1184 | |
| 508 | A | A | -0.7161 | |
| 509 | Q | A | -1.0938 | |
| 510 | Y | A | 0.0000 | |
| 511 | P | A | -0.2926 | |
| 512 | A | A | -0.1485 | |
| 513 | F | A | 0.0000 | |
| 514 | S | A | -0.2170 | |
| 515 | V | A | 0.0000 | |
| 516 | T | A | -0.3663 | |
| 517 | N | A | 0.0000 | |
| 518 | P | A | 0.0000 | |
| 519 | G | A | -0.7445 | |
| 520 | E | A | -1.0163 | |
| 521 | L | A | 0.0000 | |
| 522 | Q | A | -0.2391 | |
| 523 | I | A | 0.0000 | |
| 524 | S | A | -1.2096 | |
| 525 | N | A | -2.0352 | |
| 526 | N | A | 0.0000 | |
| 527 | R | A | -3.0474 | |
| 528 | L | A | 0.0000 | |
| 529 | E | A | -3.0206 | |
| 530 | D | A | -2.1927 | |
| 531 | A | A | -1.4647 | |
| 532 | G | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | R | A | -2.7830 | |
| 535 | E | A | -1.8336 | |
| 536 | L | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | Q | A | -1.9267 | |
| 539 | G | A | -1.1002 | |
| 540 | L | A | 0.0000 | |
| 541 | G | A | -0.8667 | |
| 542 | S | A | -0.4056 | |
| 543 | E | A | 0.0000 | |
| 544 | R | A | -0.9179 | |
| 545 | S | A | -1.2681 | |
| 546 | K | A | -1.1614 | |
| 547 | P | A | -1.0956 | |
| 548 | N | A | -1.4272 | |
| 549 | N | A | -1.5420 | |
| 550 | P | A | -0.9864 | |
| 551 | A | A | -0.7271 | |
| 552 | Q | A | 0.0000 | |
| 553 | Y | A | 0.0000 | |
| 554 | P | A | -0.2799 | |
| 555 | A | A | -0.1127 | |
| 556 | F | A | 0.0000 | |
| 557 | S | A | -0.3502 | |
| 558 | V | A | 0.0000 | |
| 559 | T | A | -0.2122 | |
| 560 | N | A | 0.0000 | |
| 561 | P | A | 0.0000 | |
| 562 | G | A | -0.7220 | |
| 563 | V | A | 0.0000 | |
| 564 | L | A | 0.0000 | |
| 565 | W | A | 0.0691 | |
| 566 | L | A | 0.0000 | |
| 567 | A | A | -1.8305 | |
| 568 | D | A | -3.0233 | |
| 569 | C | A | 0.0000 | |
| 570 | D | A | -2.3445 | |
| 571 | V | A | 0.0000 | |
| 572 | S | A | -0.9961 | |
| 573 | D | A | -0.8745 | |
| 574 | S | A | -0.8616 | |
| 575 | S | A | 0.0000 | |
| 576 | C | A | 0.0000 | |
| 577 | S | A | -0.5954 | |
| 578 | S | A | -1.0378 | |
| 579 | L | A | 0.0000 | |
| 580 | A | A | 0.0000 | |
| 581 | A | A | -0.1320 | |
| 582 | T | A | 0.0000 | |
| 583 | L | A | 0.0000 | |
| 584 | L | A | -0.7433 | |
| 585 | A | A | -0.6531 | |
| 586 | S | A | 0.0000 | |
| 587 | E | A | 0.0000 | |
| 588 | R | A | -2.3510 | |
| 589 | S | A | -1.8377 | |
| 590 | K | A | -1.7053 | |
| 591 | P | A | -1.3649 | |
| 592 | N | A | -0.9622 | |
| 593 | N | A | -1.3326 | |
| 594 | P | A | -0.4793 | |
| 595 | A | A | -0.3895 | |
| 596 | Q | A | 0.0000 | |
| 597 | Y | A | 0.0000 | |
| 598 | P | A | -0.0977 | |
| 599 | A | A | 0.0751 | |
| 600 | F | A | 0.0000 | |
| 601 | S | A | -0.2889 | |
| 602 | V | A | 0.0000 | |
| 603 | T | A | -0.1994 | |
| 604 | N | A | 0.0000 | |
| 605 | P | A | 0.0000 | |
| 606 | G | A | -0.9146 | |
| 607 | E | A | -1.3127 | |
| 608 | L | A | 0.0000 | |
| 609 | D | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | S | A | -0.5148 | |
| 612 | N | A | -1.1303 | |
| 613 | N | A | 0.0000 | |
| 614 | C | A | 0.3949 | |
| 615 | L | A | 0.0000 | |
| 616 | G | A | 0.2238 | |
| 617 | D | A | -0.3172 | |
| 618 | A | A | -0.3711 | |
| 619 | G | A | 0.0000 | |
| 620 | I | A | 0.0000 | |
| 621 | L | A | -0.2774 | |
| 622 | Q | A | -1.0036 | |
| 623 | L | A | 0.0000 | |
| 624 | V | A | 0.0000 | |
| 625 | E | A | -1.8551 | |
| 626 | S | A | 0.0000 | |
| 627 | V | A | 0.0000 | |
| 628 | R | A | -2.2106 | |
| 629 | S | A | -1.6449 | |
| 630 | E | A | 0.0000 | |
| 631 | R | A | -2.1944 | |
| 632 | S | A | 0.0000 | |
| 633 | K | A | -1.9473 | |
| 634 | P | A | 0.0000 | |
| 635 | N | A | -1.7210 | |
| 636 | N | A | -1.0918 | |
| 637 | P | A | -0.6693 | |
| 638 | A | A | -0.3250 | |
| 639 | Q | A | 0.0000 | |
| 640 | Y | A | 0.6882 | |
| 641 | P | A | 0.5862 | |
| 642 | A | A | 0.3726 | |
| 643 | F | A | 0.0000 | |
| 644 | S | A | -0.1020 | |
| 645 | V | A | 0.0000 | |
| 646 | T | A | -0.3645 | |
| 647 | N | A | 0.0000 | |
| 648 | P | A | 0.0000 | |
| 649 | G | A | -1.3532 | |
| 650 | Q | A | -1.5937 | |
| 651 | L | A | 0.0000 | |
| 652 | V | A | 0.1495 | |
| 653 | L | A | 0.0000 | |
| 654 | Y | A | 1.6843 | |
| 655 | D | A | 1.2341 | |
| 656 | I | A | 2.4259 | |
| 657 | Y | A | 2.4491 | |
| 658 | W | A | 1.2994 | |
| 659 | S | A | -1.1486 | |
| 660 | E | A | -3.1574 | |
| 661 | E | A | -3.5666 | |
| 662 | M | A | -2.3408 | |
| 663 | E | A | -2.7644 | |
| 664 | D | A | -3.8425 | |
| 665 | R | A | -3.1191 | |
| 666 | L | A | 0.0000 | |
| 667 | Q | A | -3.4408 | |
| 668 | A | A | -2.7633 | |
| 669 | L | A | 0.0000 | |
| 670 | E | A | -4.2134 | |
| 671 | K | A | -4.6025 | |
| 672 | D | A | -4.1298 | |
| 673 | S | A | -3.8938 | |
| 674 | E | A | -4.6830 | |
| 675 | R | A | -4.0642 | |
| 676 | S | A | -2.8790 | |
| 677 | K | A | -2.3098 | |
| 678 | P | A | -1.5951 | |
| 679 | N | A | -1.5851 | |
| 680 | N | A | 0.0000 | |
| 681 | P | A | -0.6762 | |
| 682 | A | A | -0.4406 | |
| 683 | Q | A | -0.6754 | |
| 684 | Y | A | 0.4291 | |
| 685 | P | A | 0.0000 | |
| 686 | A | A | 0.0913 | |
| 687 | F | A | 0.0000 | |
| 688 | S | A | -0.8569 | |
| 689 | V | A | 0.0000 | |
| 690 | T | A | -1.3973 | |
| 691 | N | A | -1.9942 | |
| 692 | P | A | 0.0000 | |
| 693 | G | A | -2.7816 | |
| 694 | R | A | -2.9672 | |
| 695 | V | A | -0.9659 | |
| 696 | I | A | 0.1423 | |
| 697 | S | A | 0.3564 |
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, -0.7229 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_9 | -0.7229 | View | CSV | PDB |
| model_7 | -0.7529 | View | CSV | PDB |
| model_10 | -0.7556 | View | CSV | PDB |
| model_8 | -0.7591 | View | CSV | PDB |
| model_1 | -0.7591 | View | CSV | PDB |
| model_5 | -0.7643 | View | CSV | PDB |
| model_0 | -0.7711 | View | CSV | PDB |
| CABS_average | -0.7872 | View | CSV | PDB |
| model_6 | -0.8054 | View | CSV | PDB |
| model_2 | -0.8145 | View | CSV | PDB |
| model_4 | -0.8284 | View | CSV | PDB |
| model_3 | -0.8338 | View | CSV | PDB |
| model_11 | -0.8789 | View | CSV | PDB |
| input | -0.9623 | 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