Project name: C15_A2_EF_A4_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:51:30
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQDATQKPNTAKHPALEATQPGVRLDDCGLTEARCKDISSALRVDATQKPNTAKHPALEATQPGELNLRSNELGDVGVHCVLQGLIDATQKPNTAKHPALEATQPGKLSLQNCCLTGAGCGVLSSTLRFDATQKPNTAKHPALEATQPGELHLSDNLLGDAGLQLLCEGLLDATQKPNTAKHPALEATQPGKLQLEYCSLSAASCEPLASVLRADATQKPNTAKHPALEATQPGELTVSNNDINEAGVRVLCQGLKDDATQKPNTAKHPALEATQPGALKLESCGVTSDNCRDLCGIVASDATQKPNTAKHPALEATQPGELALGSNKLGDVGMAELCPGLLSERSKPNNPAQYPAFSVTNPGTLWIWECGITAKGCGDLCRVLRASERSKPNNPAQYPAFSVTNPGELSLAGNELGDEGARLLCETLLSERSKPNNPAQYPAFSVTNPGSLWVKSCSFTAACCSHFSSVLAQSERSKPNNPAQYPAFSVTNPGELQISNNRLEDAGVRELCQGLGSERSKPNNPAQYPAFSVTNPGVLWLADCDVSDSSCSSLAATLLASERSKPNNPAQYPAFSVTNPGELDLSNNCLGDAGILQLVESVRSERSKPNNPAQYPAFSVTNPGQLVLYDIYWSEEMEDRLQALEKDSERSKPNNPAQYPAFSVTNPGRVIS
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 (00:00:00)
[INFO] CABS: Running CABS flex simulation (00:10:19)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:56:13)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:56:18)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:56:22)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:56:27)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:56:32)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:56:36)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:56:41)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:56:46)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:56:51)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:56:55)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:57:00)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:57:04)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:57:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:57:22)
[INFO] Main: Simulation completed successfully. (02:57:26)
|
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
- -4.4995
- Maximal score value
- 1.5107
- Average score
- -0.7491
- Total score value
- -522.1245
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 | -0.4963 | |
| 2 | L | A | -0.5240 | |
| 3 | D | A | -1.9896 | |
| 4 | I | A | 0.0000 | |
| 5 | Q | A | -1.9766 | |
| 6 | S | A | -1.6663 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.8861 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.1779 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.3795 | |
| 13 | E | A | -2.8834 | |
| 14 | L | A | -1.3810 | |
| 15 | S | A | -1.9357 | |
| 16 | D | A | -2.4355 | |
| 17 | A | A | -1.6439 | |
| 18 | R | A | -2.6156 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4341 | |
| 21 | E | A | -2.4379 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -1.0555 | |
| 24 | P | A | -1.2502 | |
| 25 | L | A | -1.3737 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -2.3430 | |
| 28 | D | A | -2.4448 | |
| 29 | A | A | 0.0000 | |
| 30 | T | A | -1.4736 | |
| 31 | Q | A | -1.1477 | |
| 32 | K | A | 0.0000 | |
| 33 | P | A | -0.5185 | |
| 34 | N | A | -0.8633 | |
| 35 | T | A | -1.0726 | |
| 36 | A | A | -1.1529 | |
| 37 | K | A | -2.4068 | |
| 38 | H | A | 0.0000 | |
| 39 | P | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | E | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | Q | A | 0.0000 | |
| 46 | P | A | 0.0000 | |
| 47 | G | A | -1.8104 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -2.2614 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -3.0123 | |
| 52 | D | A | -3.7185 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -2.8321 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -2.1699 | |
| 57 | E | A | -2.5054 | |
| 58 | A | A | -1.2034 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -1.9461 | |
| 62 | D | A | -1.7342 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.5628 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -2.1581 | |
| 69 | V | A | 0.0000 | |
| 70 | D | A | -2.4458 | |
| 71 | A | A | -1.3831 | |
| 72 | T | A | 0.0000 | |
| 73 | Q | A | -1.5017 | |
| 74 | K | A | -1.7570 | |
| 75 | P | A | -1.2298 | |
| 76 | N | A | -1.7258 | |
| 77 | T | A | -1.3422 | |
| 78 | A | A | -1.4336 | |
| 79 | K | A | -2.3549 | |
| 80 | H | A | -1.5781 | |
| 81 | P | A | -1.1144 | |
| 82 | A | A | -0.9615 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.6591 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | Q | A | 0.0000 | |
| 88 | P | A | -0.8941 | |
| 89 | G | A | -1.4023 | |
| 90 | E | A | -1.8678 | |
| 91 | L | A | -0.9445 | |
| 92 | N | A | -1.4083 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -3.4388 | |
| 95 | S | A | 0.0000 | |
| 96 | N | A | -3.2805 | |
| 97 | E | A | -3.5020 | |
| 98 | L | A | -2.2801 | |
| 99 | G | A | -1.8608 | |
| 100 | D | A | -1.7637 | |
| 101 | V | A | 0.0143 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.8030 | |
| 105 | C | A | 0.0000 | |
| 106 | V | A | -0.5214 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -0.8633 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | I | A | -0.6108 | |
| 112 | D | A | -1.3789 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | Q | A | -1.6152 | |
| 116 | K | A | -1.2176 | |
| 117 | P | A | -1.1569 | |
| 118 | N | A | -1.3154 | |
| 119 | T | A | -0.9478 | |
| 120 | A | A | -0.9884 | |
| 121 | K | A | -1.2024 | |
| 122 | H | A | -1.8028 | |
| 123 | P | A | -1.0744 | |
| 124 | A | A | -1.0324 | |
| 125 | L | A | 0.0000 | |
| 126 | E | A | -1.1467 | |
| 127 | A | A | 0.0000 | |
| 128 | T | A | -0.5695 | |
| 129 | Q | A | 0.0000 | |
| 130 | P | A | 0.0000 | |
| 131 | G | A | -1.1701 | |
| 132 | K | A | -1.6185 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | -0.9553 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -2.1943 | |
| 137 | N | A | -2.5602 | |
| 138 | C | A | -1.5270 | |
| 139 | C | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | -0.3323 | |
| 142 | G | A | -0.6322 | |
| 143 | A | A | -0.6997 | |
| 144 | G | A | -0.5264 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.3230 | |
| 147 | V | A | -0.2123 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | S | A | -0.4174 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.2292 | |
| 154 | F | A | -0.6346 | |
| 155 | D | A | 0.0000 | |
| 156 | A | A | -0.9253 | |
| 157 | T | A | -0.9619 | |
| 158 | Q | A | 0.0000 | |
| 159 | K | A | 0.0000 | |
| 160 | P | A | -1.3603 | |
| 161 | N | A | -1.5939 | |
| 162 | T | A | -1.3020 | |
| 163 | A | A | -1.7553 | |
| 164 | K | A | -2.6972 | |
| 165 | H | A | -2.2213 | |
| 166 | P | A | -1.3833 | |
| 167 | A | A | -1.2081 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -1.8853 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -0.6636 | |
| 172 | Q | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | G | A | -0.9278 | |
| 175 | E | A | -1.1367 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -0.7289 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -1.5984 | |
| 181 | N | A | -1.2373 | |
| 182 | L | A | 0.0820 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | -0.4689 | |
| 185 | D | A | -0.8698 | |
| 186 | A | A | -0.5294 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.1544 | |
| 190 | L | A | -0.3251 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.4674 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.4170 | |
| 197 | D | A | -1.9342 | |
| 198 | A | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | Q | A | 0.0000 | |
| 201 | K | A | -2.0019 | |
| 202 | P | A | -1.8027 | |
| 203 | N | A | -1.5080 | |
| 204 | T | A | 0.0000 | |
| 205 | A | A | -1.7476 | |
| 206 | K | A | -2.6942 | |
| 207 | H | A | -2.0914 | |
| 208 | P | A | -1.1999 | |
| 209 | A | A | -1.2216 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -1.0133 | |
| 212 | A | A | -0.1685 | |
| 213 | T | A | 0.0000 | |
| 214 | Q | A | -0.5737 | |
| 215 | P | A | 0.0000 | |
| 216 | G | A | -0.5908 | |
| 217 | K | A | -0.8944 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.5997 | |
| 222 | Y | A | -0.1839 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.7284 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.1919 | |
| 227 | A | A | -1.0185 | |
| 228 | A | A | -0.7543 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.7624 | |
| 232 | P | A | -1.0781 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.6688 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.0980 | |
| 239 | A | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | T | A | -1.1738 | |
| 243 | Q | A | 0.0000 | |
| 244 | K | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | N | A | -0.4693 | |
| 247 | T | A | -1.1060 | |
| 248 | A | A | -1.4829 | |
| 249 | K | A | -2.4786 | |
| 250 | H | A | 0.0000 | |
| 251 | P | A | -0.7534 | |
| 252 | A | A | 0.0000 | |
| 253 | L | A | 1.4007 | |
| 254 | E | A | 0.0000 | |
| 255 | A | A | 0.3907 | |
| 256 | T | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | P | A | 0.0000 | |
| 259 | G | A | -0.4891 | |
| 260 | E | A | -0.9377 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | -0.5082 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -0.7084 | |
| 266 | N | A | -1.2257 | |
| 267 | D | A | -2.0255 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -1.9946 | |
| 270 | E | A | -2.2000 | |
| 271 | A | A | -1.2469 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -1.9137 | |
| 275 | V | A | -1.1680 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.6487 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.5208 | |
| 282 | D | A | -1.5937 | |
| 283 | D | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | T | A | -1.3419 | |
| 286 | Q | A | -1.9157 | |
| 287 | K | A | -1.5052 | |
| 288 | P | A | -1.3765 | |
| 289 | N | A | -1.9102 | |
| 290 | T | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | K | A | 0.0000 | |
| 293 | H | A | 0.1053 | |
| 294 | P | A | 0.1060 | |
| 295 | A | A | 0.7592 | |
| 296 | L | A | 1.5107 | |
| 297 | E | A | 0.6006 | |
| 298 | A | A | 0.2669 | |
| 299 | T | A | 0.0000 | |
| 300 | Q | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | G | A | -0.5131 | |
| 303 | A | A | -0.7226 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.5478 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | 0.0000 | |
| 308 | S | A | -1.0852 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.6029 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.1827 | |
| 313 | S | A | -0.8895 | |
| 314 | D | A | -1.7511 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.1498 | |
| 318 | D | A | -1.7073 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -0.7193 | |
| 321 | G | A | -0.9155 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | -0.2474 | |
| 325 | S | A | -0.3510 | |
| 326 | D | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | T | A | -0.6698 | |
| 329 | Q | A | 0.0000 | |
| 330 | K | A | -2.0940 | |
| 331 | P | A | -1.5142 | |
| 332 | N | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | A | A | -1.8008 | |
| 335 | K | A | -2.4998 | |
| 336 | H | A | -1.8073 | |
| 337 | P | A | -1.5432 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.4995 | |
| 340 | E | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | Q | A | 0.0000 | |
| 344 | P | A | -0.4389 | |
| 345 | G | A | -0.6846 | |
| 346 | E | A | -1.1906 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | N | A | -2.1090 | |
| 353 | K | A | -1.7790 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.2600 | |
| 356 | D | A | -0.2398 | |
| 357 | V | A | 1.0111 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.2727 | |
| 361 | E | A | -0.6615 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.1558 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | 0.8544 | |
| 368 | S | A | 0.4109 | |
| 369 | E | A | 0.0305 | |
| 370 | R | A | -0.2279 | |
| 371 | S | A | -0.4065 | |
| 372 | K | A | 0.0000 | |
| 373 | P | A | 0.0000 | |
| 374 | N | A | 0.0000 | |
| 375 | N | A | -1.4217 | |
| 376 | P | A | -0.9528 | |
| 377 | A | A | -0.7461 | |
| 378 | Q | A | -1.4001 | |
| 379 | Y | A | 0.0000 | |
| 380 | P | A | -0.6250 | |
| 381 | A | A | 0.0000 | |
| 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 | -0.7206 | |
| 389 | T | A | -0.6837 | |
| 390 | L | A | 0.0000 | |
| 391 | W | A | 0.2790 | |
| 392 | I | A | 0.0000 | |
| 393 | W | A | -0.4517 | |
| 394 | E | A | -2.2607 | |
| 395 | C | A | 0.0000 | |
| 396 | G | A | -2.2704 | |
| 397 | I | A | 0.0000 | |
| 398 | T | A | -1.6640 | |
| 399 | A | A | -1.8395 | |
| 400 | K | A | -1.8119 | |
| 401 | G | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | G | A | -1.3170 | |
| 404 | D | A | -0.9446 | |
| 405 | L | A | 0.0000 | |
| 406 | C | A | 0.0000 | |
| 407 | R | A | -1.4816 | |
| 408 | V | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | R | A | -1.7841 | |
| 411 | A | A | -1.1885 | |
| 412 | S | A | 0.0000 | |
| 413 | E | A | -1.6590 | |
| 414 | R | A | -2.5095 | |
| 415 | S | A | -1.6044 | |
| 416 | K | A | -1.1178 | |
| 417 | P | A | -0.9179 | |
| 418 | N | A | 0.0000 | |
| 419 | N | A | -1.6088 | |
| 420 | P | A | -1.2965 | |
| 421 | A | A | -0.8808 | |
| 422 | Q | A | -1.1152 | |
| 423 | Y | A | 0.0000 | |
| 424 | P | A | -0.8194 | |
| 425 | A | A | -0.3345 | |
| 426 | F | A | 0.0000 | |
| 427 | S | A | 0.0272 | |
| 428 | V | A | 0.0000 | |
| 429 | T | A | -0.2003 | |
| 430 | N | A | 0.0000 | |
| 431 | P | A | 0.0000 | |
| 432 | G | A | -0.7025 | |
| 433 | E | A | -0.7649 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | G | A | -1.8735 | |
| 439 | N | A | -2.6401 | |
| 440 | E | A | -3.0101 | |
| 441 | L | A | 0.0000 | |
| 442 | G | A | -1.6668 | |
| 443 | D | A | -1.4251 | |
| 444 | E | A | -2.2389 | |
| 445 | G | A | 0.0000 | |
| 446 | A | A | -1.0761 | |
| 447 | R | A | -1.7277 | |
| 448 | L | A | -1.2566 | |
| 449 | L | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | E | A | -1.8145 | |
| 452 | T | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | L | A | -0.3098 | |
| 455 | S | A | -0.8461 | |
| 456 | E | A | 0.0000 | |
| 457 | R | A | 0.0000 | |
| 458 | S | A | -1.0625 | |
| 459 | K | A | -1.3676 | |
| 460 | P | A | -1.2086 | |
| 461 | N | A | -0.9307 | |
| 462 | N | A | -1.1276 | |
| 463 | P | A | -0.9347 | |
| 464 | A | A | -1.0936 | |
| 465 | Q | A | -1.6095 | |
| 466 | Y | A | 0.0000 | |
| 467 | P | A | 0.0000 | |
| 468 | A | A | -0.2648 | |
| 469 | F | A | 0.0000 | |
| 470 | S | A | -0.2360 | |
| 471 | V | A | 0.0000 | |
| 472 | T | A | -0.1925 | |
| 473 | N | A | 0.0000 | |
| 474 | P | A | 0.0000 | |
| 475 | G | A | -0.4568 | |
| 476 | S | A | -0.2705 | |
| 477 | L | A | 0.0000 | |
| 478 | W | A | 0.2046 | |
| 479 | V | A | 0.0074 | |
| 480 | K | A | -0.9511 | |
| 481 | S | A | -0.9889 | |
| 482 | C | A | 0.0000 | |
| 483 | S | A | -1.6116 | |
| 484 | F | A | 0.0000 | |
| 485 | T | A | -1.3128 | |
| 486 | A | A | -1.2404 | |
| 487 | A | A | -0.4669 | |
| 488 | C | A | 0.0000 | |
| 489 | C | A | 0.0000 | |
| 490 | S | A | -0.8750 | |
| 491 | H | A | -1.1028 | |
| 492 | F | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | S | A | -0.6153 | |
| 495 | V | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | A | A | -0.8027 | |
| 498 | Q | A | 0.0000 | |
| 499 | S | A | 0.0000 | |
| 500 | E | A | -1.8689 | |
| 501 | R | A | -2.4864 | |
| 502 | S | A | 0.0000 | |
| 503 | K | A | 0.0000 | |
| 504 | P | A | 0.0000 | |
| 505 | N | A | 0.0000 | |
| 506 | N | A | -0.8515 | |
| 507 | P | A | -0.8882 | |
| 508 | A | A | -0.6578 | |
| 509 | Q | A | -0.9478 | |
| 510 | Y | A | 0.0000 | |
| 511 | P | A | -0.5431 | |
| 512 | A | A | -0.2992 | |
| 513 | F | A | 0.0000 | |
| 514 | S | A | -0.1777 | |
| 515 | V | A | 0.0000 | |
| 516 | T | A | -0.1904 | |
| 517 | N | A | 0.0000 | |
| 518 | P | A | 0.0000 | |
| 519 | G | A | -0.2451 | |
| 520 | E | A | -0.0813 | |
| 521 | L | A | 0.0000 | |
| 522 | Q | A | 0.0000 | |
| 523 | I | A | 0.0000 | |
| 524 | S | A | 0.0000 | |
| 525 | N | A | 0.0000 | |
| 526 | N | A | -2.3650 | |
| 527 | R | A | -3.1865 | |
| 528 | L | A | 0.0000 | |
| 529 | E | A | -3.2201 | |
| 530 | D | A | -2.6716 | |
| 531 | A | A | -1.6516 | |
| 532 | G | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | R | A | -2.8469 | |
| 535 | E | A | -2.1380 | |
| 536 | L | A | 0.0000 | |
| 537 | C | A | -1.3887 | |
| 538 | Q | A | -1.8742 | |
| 539 | G | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | G | A | -0.6296 | |
| 542 | S | A | -1.0008 | |
| 543 | E | A | 0.0000 | |
| 544 | R | A | -2.3179 | |
| 545 | S | A | -1.6775 | |
| 546 | K | A | 0.0000 | |
| 547 | P | A | -1.3088 | |
| 548 | N | A | -1.6676 | |
| 549 | N | A | -1.5626 | |
| 550 | P | A | -1.2117 | |
| 551 | A | A | -1.3128 | |
| 552 | Q | A | -1.5178 | |
| 553 | Y | A | 0.0000 | |
| 554 | P | A | -0.5932 | |
| 555 | A | A | -0.3133 | |
| 556 | F | A | 0.0000 | |
| 557 | S | A | -0.1117 | |
| 558 | V | A | 0.0000 | |
| 559 | T | A | -0.1307 | |
| 560 | N | A | 0.0000 | |
| 561 | P | A | 0.0000 | |
| 562 | G | A | -0.1237 | |
| 563 | V | A | 0.1610 | |
| 564 | L | A | 0.0000 | |
| 565 | W | A | 0.3288 | |
| 566 | L | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | D | A | -2.5929 | |
| 569 | C | A | 0.0000 | |
| 570 | D | A | -2.8921 | |
| 571 | V | A | -2.0478 | |
| 572 | S | A | -1.6455 | |
| 573 | D | A | -1.8286 | |
| 574 | S | A | -1.3731 | |
| 575 | S | A | 0.0000 | |
| 576 | C | A | 0.0000 | |
| 577 | S | A | -0.7804 | |
| 578 | S | A | -1.1661 | |
| 579 | L | A | 0.0000 | |
| 580 | A | A | 0.0000 | |
| 581 | A | A | 0.2414 | |
| 582 | T | A | 0.0000 | |
| 583 | L | A | 0.0000 | |
| 584 | L | A | 0.5432 | |
| 585 | A | A | -0.0011 | |
| 586 | S | A | 0.0000 | |
| 587 | E | A | -1.2171 | |
| 588 | R | A | -2.0689 | |
| 589 | S | A | 0.0000 | |
| 590 | K | A | 0.0000 | |
| 591 | P | A | -1.3829 | |
| 592 | N | A | -1.7431 | |
| 593 | N | A | 0.0000 | |
| 594 | P | A | -0.4743 | |
| 595 | A | A | -0.3788 | |
| 596 | Q | A | 0.0000 | |
| 597 | Y | A | 0.0000 | |
| 598 | P | A | -0.1923 | |
| 599 | A | A | 0.0188 | |
| 600 | F | A | 0.0000 | |
| 601 | S | A | -0.2859 | |
| 602 | V | A | 0.0000 | |
| 603 | T | A | -0.4485 | |
| 604 | N | A | 0.0000 | |
| 605 | P | A | 0.0000 | |
| 606 | G | A | -0.4913 | |
| 607 | E | A | -0.6886 | |
| 608 | L | A | 0.0000 | |
| 609 | D | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | S | A | 0.0000 | |
| 612 | N | A | -1.7857 | |
| 613 | N | A | -2.0866 | |
| 614 | C | A | 0.0000 | |
| 615 | L | A | 0.0000 | |
| 616 | G | A | -0.8079 | |
| 617 | D | A | -1.0321 | |
| 618 | A | A | -0.8011 | |
| 619 | G | A | 0.0000 | |
| 620 | I | A | 0.0000 | |
| 621 | L | A | -0.4988 | |
| 622 | Q | A | -1.0971 | |
| 623 | L | A | 0.0000 | |
| 624 | V | A | 0.0000 | |
| 625 | E | A | -1.6609 | |
| 626 | S | A | 0.0000 | |
| 627 | V | A | 0.0000 | |
| 628 | R | A | -2.1706 | |
| 629 | S | A | -1.3320 | |
| 630 | E | A | 0.0000 | |
| 631 | R | A | -2.1511 | |
| 632 | S | A | -2.2075 | |
| 633 | K | A | -2.6685 | |
| 634 | P | A | -1.8078 | |
| 635 | N | A | -0.9238 | |
| 636 | N | A | 0.0000 | |
| 637 | P | A | -0.1039 | |
| 638 | A | A | 0.0253 | |
| 639 | Q | A | 0.0000 | |
| 640 | Y | A | 1.0507 | |
| 641 | P | A | 0.4204 | |
| 642 | A | A | 0.0961 | |
| 643 | F | A | 0.0000 | |
| 644 | S | A | -0.3969 | |
| 645 | V | A | 0.0000 | |
| 646 | T | A | -0.4652 | |
| 647 | N | A | 0.0000 | |
| 648 | P | A | 0.0000 | |
| 649 | G | A | -0.8556 | |
| 650 | Q | A | -0.9629 | |
| 651 | L | A | 0.0000 | |
| 652 | V | A | 0.0851 | |
| 653 | L | A | 0.0000 | |
| 654 | Y | A | 0.1437 | |
| 655 | D | A | -1.3649 | |
| 656 | I | A | -0.1356 | |
| 657 | Y | A | 0.5856 | |
| 658 | W | A | -0.7283 | |
| 659 | S | A | -2.0985 | |
| 660 | E | A | -3.7018 | |
| 661 | E | A | -4.2309 | |
| 662 | M | A | -3.0425 | |
| 663 | E | A | -3.9467 | |
| 664 | D | A | -4.4630 | |
| 665 | R | A | -3.3961 | |
| 666 | L | A | -2.7913 | |
| 667 | Q | A | -3.6528 | |
| 668 | A | A | -2.6949 | |
| 669 | L | A | 0.0000 | |
| 670 | E | A | -3.7176 | |
| 671 | K | A | -4.1929 | |
| 672 | D | A | -3.9194 | |
| 673 | S | A | -3.9383 | |
| 674 | E | A | -4.4995 | |
| 675 | R | A | -4.1519 | |
| 676 | S | A | -3.3054 | |
| 677 | K | A | -3.4028 | |
| 678 | P | A | -2.1149 | |
| 679 | N | A | -2.1042 | |
| 680 | N | A | -1.4413 | |
| 681 | P | A | -0.8609 | |
| 682 | A | A | -0.4847 | |
| 683 | Q | A | -0.7799 | |
| 684 | Y | A | 0.1086 | |
| 685 | P | A | -0.1216 | |
| 686 | A | A | -0.0854 | |
| 687 | F | A | 0.0000 | |
| 688 | S | A | -0.8740 | |
| 689 | V | A | 0.0000 | |
| 690 | T | A | -1.0086 | |
| 691 | N | A | 0.0000 | |
| 692 | P | A | 0.0000 | |
| 693 | G | A | -1.6253 | |
| 694 | R | A | -1.7387 | |
| 695 | V | A | 0.0000 | |
| 696 | I | A | 0.2885 | |
| 697 | S | A | 0.1804 |
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, -0.7491 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 | -0.7491 | View | CSV | PDB |
| model_1 | -0.7494 | View | CSV | PDB |
| model_6 | -0.7533 | View | CSV | PDB |
| model_0 | -0.756 | View | CSV | PDB |
| model_11 | -0.7562 | View | CSV | PDB |
| model_9 | -0.7579 | View | CSV | PDB |
| model_10 | -0.7663 | View | CSV | PDB |
| CABS_average | -0.7727 | View | CSV | PDB |
| model_4 | -0.7778 | View | CSV | PDB |
| model_5 | -0.7834 | View | CSV | PDB |
| model_7 | -0.7845 | View | CSV | PDB |
| model_3 | -0.8095 | View | CSV | PDB |
| model_8 | -0.829 | View | CSV | PDB |
| input | -0.9012 | 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