Project name: C40_A2_EF_GSG
Status: done
Started: 2026-07-21 11:09:39
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGDATQKPNTAKHPALEATQPGGSGVRLDDCGLTEARCKDISSALRVGSGDATQKPNTAKHPALEATQPGGSGELNLRSNELGDVGVHCVLQGLQGSGDATQKPNTAKHPALEATQPGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGDATQKPNTAKHPALEATQPGGSGELHLSDNLLGDAGLQLLCEGLLGSGDATQKPNTAKHPALEATQPGGSGKLQLEYCSLSAASCEPLASVLRAGSGDATQKPNTAKHPALEATQPGGSGELTVSNNDINEAGVRVLCQGLKDGSGDATQKPNTAKHPALEATQPGGSGALKLESCGVTSDNCRDLCGIVASGSGDATQKPNTAKHPALEATQPGGSGELALGSNKLGDVGMAELCPGLLGSGDATQKPNTAKHPALEATQPGGSGTLWIWECGITAKGCGDLCRVLRAGSGDATQKPNTAKHPALEATQPGGSGELSLAGNELGDEGARLLCETLLGSGDATQKPNTAKHPALEATQPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGDATQKPNTAKHPALEATQPGGSGELQISNNRLEDAGVRELCQGLGGSGDATQKPNTAKHPALEATQPGGSGVLWLADCDVSDSSCSSLAATLLAGSGDATQKPNTAKHPALEATQPGGSGELDLSNNCLGDAGILQLVESVRGSGDATQKPNTAKHPALEATQPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGDATQKPNTAKHPALEATQPGGSGRVIS
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] (00:00:01)
[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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:13:01)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:55:07)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:55:14)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:55:22)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:55:29)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:55:36)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:55:43)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:55:51)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:55:58)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:56:06)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:56:13)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:56:21)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:56:28)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:56:36)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:56:53)
[INFO] Main: Simulation completed successfully. (02:57:00)
|
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
- -4.1205
- Maximal score value
- 1.3849
- Average score
- -0.8571
- Total score value
- -672.8325
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 | -0.1369 | |
| 2 | L | A | 0.8765 | |
| 3 | D | A | -0.1748 | |
| 4 | I | A | 1.3187 | |
| 5 | Q | A | 0.0000 | |
| 6 | S | A | -0.3131 | |
| 7 | L | A | -1.0988 | |
| 8 | D | A | -2.4511 | |
| 9 | I | A | -2.1591 | |
| 10 | Q | A | -2.9088 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.5374 | |
| 13 | E | A | -3.2350 | |
| 14 | L | A | -2.5271 | |
| 15 | S | A | -2.5095 | |
| 16 | D | A | -2.6261 | |
| 17 | A | A | -2.1756 | |
| 18 | R | A | -3.2359 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.9124 | |
| 21 | E | A | -2.4398 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.7361 | |
| 25 | L | A | 0.2730 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.0295 | |
| 28 | G | A | -0.4484 | |
| 29 | S | A | -0.2219 | |
| 30 | G | A | -0.4372 | |
| 31 | D | A | -0.3090 | |
| 32 | A | A | 0.0000 | |
| 33 | T | A | -1.2219 | |
| 34 | Q | A | -1.8421 | |
| 35 | K | A | -1.9971 | |
| 36 | P | A | -1.3950 | |
| 37 | N | A | -1.2352 | |
| 38 | T | A | -1.0120 | |
| 39 | A | A | -1.3459 | |
| 40 | K | A | -2.4211 | |
| 41 | H | A | -2.4044 | |
| 42 | P | A | -1.6692 | |
| 43 | A | A | -1.6591 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | -1.7629 | |
| 46 | A | A | 0.0000 | |
| 47 | T | A | -0.4670 | |
| 48 | Q | A | -0.2384 | |
| 49 | P | A | 0.1538 | |
| 50 | G | A | 0.0000 | |
| 51 | G | A | 0.1706 | |
| 52 | S | A | -0.2432 | |
| 53 | G | A | -0.6998 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -2.4800 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -2.7577 | |
| 58 | D | A | -3.1570 | |
| 59 | C | A | 0.0000 | |
| 60 | G | A | -2.4742 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.5445 | |
| 63 | E | A | -1.9908 | |
| 64 | A | A | -1.4454 | |
| 65 | R | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -1.5977 | |
| 68 | D | A | -1.5100 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | S | A | -1.0342 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -1.6461 | |
| 75 | V | A | 0.3480 | |
| 76 | G | A | -0.5254 | |
| 77 | S | A | 0.0000 | |
| 78 | G | A | -1.1374 | |
| 79 | D | A | -1.1150 | |
| 80 | A | A | -0.9498 | |
| 81 | T | A | 0.0000 | |
| 82 | Q | A | -1.1042 | |
| 83 | K | A | 0.0000 | |
| 84 | P | A | -1.1122 | |
| 85 | N | A | 0.0000 | |
| 86 | T | A | -1.4841 | |
| 87 | A | A | 0.0000 | |
| 88 | K | A | -2.4733 | |
| 89 | H | A | -2.0808 | |
| 90 | P | A | -1.1900 | |
| 91 | A | A | -0.8396 | |
| 92 | L | A | -0.9694 | |
| 93 | E | A | -1.2566 | |
| 94 | A | A | 0.0000 | |
| 95 | T | A | -0.5546 | |
| 96 | Q | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | G | A | -0.4570 | |
| 99 | G | A | 0.0000 | |
| 100 | S | A | -0.4658 | |
| 101 | G | A | -0.7705 | |
| 102 | E | A | -1.2047 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -2.3406 | |
| 107 | S | A | -2.1245 | |
| 108 | N | A | -2.4677 | |
| 109 | E | A | -1.9665 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -0.7974 | |
| 112 | D | A | -0.6864 | |
| 113 | V | A | 0.5142 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | H | A | -0.5874 | |
| 117 | C | A | -0.7723 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.4969 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Q | A | -1.7964 | |
| 124 | G | A | -1.3233 | |
| 125 | S | A | -1.1502 | |
| 126 | G | A | -1.0188 | |
| 127 | D | A | -0.7594 | |
| 128 | A | A | -0.5766 | |
| 129 | T | A | -0.5093 | |
| 130 | Q | A | -0.7458 | |
| 131 | K | A | 0.0000 | |
| 132 | P | A | -0.8456 | |
| 133 | N | A | -1.0190 | |
| 134 | T | A | -0.8659 | |
| 135 | A | A | -1.0934 | |
| 136 | K | A | -2.3201 | |
| 137 | H | A | 0.0000 | |
| 138 | P | A | -1.5606 | |
| 139 | A | A | -1.0658 | |
| 140 | L | A | 0.0000 | |
| 141 | E | A | -1.6229 | |
| 142 | A | A | 0.0000 | |
| 143 | T | A | -0.7188 | |
| 144 | Q | A | 0.0000 | |
| 145 | P | A | 0.0000 | |
| 146 | G | A | -0.5202 | |
| 147 | G | A | -0.6444 | |
| 148 | S | A | -0.8575 | |
| 149 | G | A | -1.1140 | |
| 150 | K | A | -1.4379 | |
| 151 | L | A | -0.6355 | |
| 152 | S | A | -0.7360 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.0939 | |
| 155 | N | A | -1.4892 | |
| 156 | C | A | 0.0000 | |
| 157 | C | A | -0.0702 | |
| 158 | L | A | 0.0000 | |
| 159 | T | A | 0.0099 | |
| 160 | G | A | -0.1459 | |
| 161 | A | A | 0.0000 | |
| 162 | G | A | 0.0134 | |
| 163 | C | A | 0.0323 | |
| 164 | G | A | -0.0442 | |
| 165 | V | A | -0.1852 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | -0.3913 | |
| 168 | S | A | -0.9057 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | -0.9785 | |
| 171 | R | A | -2.0653 | |
| 172 | T | A | -1.4193 | |
| 173 | G | A | -1.1729 | |
| 174 | S | A | -0.9204 | |
| 175 | G | A | -0.9014 | |
| 176 | D | A | -1.0352 | |
| 177 | A | A | -0.5007 | |
| 178 | T | A | 0.0000 | |
| 179 | Q | A | -1.3483 | |
| 180 | K | A | 0.0000 | |
| 181 | P | A | -1.0614 | |
| 182 | N | A | 0.0000 | |
| 183 | T | A | -1.3175 | |
| 184 | A | A | -1.7427 | |
| 185 | K | A | -2.5485 | |
| 186 | H | A | -2.1062 | |
| 187 | P | A | 0.0000 | |
| 188 | A | A | -0.7702 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -2.0597 | |
| 191 | A | A | 0.0000 | |
| 192 | T | A | -0.8696 | |
| 193 | Q | A | -0.5874 | |
| 194 | P | A | 0.0000 | |
| 195 | G | A | -0.5384 | |
| 196 | G | A | -0.6686 | |
| 197 | S | A | -0.8436 | |
| 198 | G | A | -1.1175 | |
| 199 | E | A | -1.3747 | |
| 200 | L | A | 0.0000 | |
| 201 | H | A | -0.7268 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | D | A | 0.0000 | |
| 205 | N | A | -0.0075 | |
| 206 | L | A | 1.3849 | |
| 207 | L | A | 0.6937 | |
| 208 | G | A | -0.0065 | |
| 209 | D | A | -0.5268 | |
| 210 | A | A | -0.1688 | |
| 211 | G | A | -0.2281 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -0.9507 | |
| 214 | L | A | 0.1668 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.3677 | |
| 218 | G | A | -0.7403 | |
| 219 | L | A | -0.0905 | |
| 220 | L | A | 0.3260 | |
| 221 | G | A | -0.1907 | |
| 222 | S | A | -0.5390 | |
| 223 | G | A | -0.5434 | |
| 224 | D | A | 0.0000 | |
| 225 | A | A | -0.3973 | |
| 226 | T | A | 0.0000 | |
| 227 | Q | A | 0.0000 | |
| 228 | K | A | -1.5515 | |
| 229 | P | A | -1.5351 | |
| 230 | N | A | -1.7440 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | -0.9120 | |
| 233 | K | A | 0.0000 | |
| 234 | H | A | 0.0000 | |
| 235 | P | A | -0.9031 | |
| 236 | A | A | -0.7800 | |
| 237 | L | A | 0.0000 | |
| 238 | E | A | -2.0519 | |
| 239 | A | A | 0.0000 | |
| 240 | T | A | -0.8416 | |
| 241 | Q | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | G | A | -0.4686 | |
| 244 | G | A | 0.0000 | |
| 245 | S | A | -0.7522 | |
| 246 | G | A | 0.0000 | |
| 247 | K | A | -1.3003 | |
| 248 | L | A | 0.0000 | |
| 249 | Q | A | -0.7623 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -0.4262 | |
| 252 | Y | A | -0.0197 | |
| 253 | C | A | 0.0000 | |
| 254 | S | A | -0.6275 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.1379 | |
| 257 | A | A | -0.9554 | |
| 258 | A | A | -0.7243 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -2.2038 | |
| 262 | P | A | -1.3161 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -1.4630 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | -1.3242 | |
| 268 | R | A | -2.7021 | |
| 269 | A | A | -0.8123 | |
| 270 | G | A | -0.7323 | |
| 271 | S | A | -0.5539 | |
| 272 | G | A | -1.1490 | |
| 273 | D | A | 0.0000 | |
| 274 | A | A | -0.6348 | |
| 275 | T | A | 0.0000 | |
| 276 | Q | A | -0.6197 | |
| 277 | K | A | -0.7684 | |
| 278 | P | A | -0.9654 | |
| 279 | N | A | 0.0000 | |
| 280 | T | A | 0.0000 | |
| 281 | A | A | -1.3842 | |
| 282 | K | A | -2.0537 | |
| 283 | H | A | -1.5294 | |
| 284 | P | A | -1.3222 | |
| 285 | A | A | -1.0323 | |
| 286 | L | A | 0.0000 | |
| 287 | E | A | -1.5074 | |
| 288 | A | A | 0.0000 | |
| 289 | T | A | -0.6867 | |
| 290 | Q | A | 0.0000 | |
| 291 | P | A | 0.0000 | |
| 292 | G | A | -0.5252 | |
| 293 | G | A | 0.0000 | |
| 294 | S | A | -0.6860 | |
| 295 | G | A | -0.8334 | |
| 296 | E | A | -1.3254 | |
| 297 | L | A | -0.5621 | |
| 298 | T | A | -0.5627 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | -0.8187 | |
| 301 | N | A | -1.1482 | |
| 302 | N | A | 0.0000 | |
| 303 | D | A | -2.2415 | |
| 304 | I | A | -1.8492 | |
| 305 | N | A | -2.2890 | |
| 306 | E | A | -2.8612 | |
| 307 | A | A | -1.7411 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.6465 | |
| 311 | V | A | -1.6062 | |
| 312 | L | A | -1.4426 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -2.8539 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | -2.1755 | |
| 317 | K | A | -3.1336 | |
| 318 | D | A | -3.3057 | |
| 319 | G | A | -2.6509 | |
| 320 | S | A | -2.1796 | |
| 321 | G | A | -1.7996 | |
| 322 | D | A | -1.6203 | |
| 323 | A | A | -0.8617 | |
| 324 | T | A | -0.8412 | |
| 325 | Q | A | -1.3551 | |
| 326 | K | A | -1.6085 | |
| 327 | P | A | -1.7527 | |
| 328 | N | A | -2.1326 | |
| 329 | T | A | -1.6785 | |
| 330 | A | A | -1.5600 | |
| 331 | K | A | -2.5411 | |
| 332 | H | A | -1.6609 | |
| 333 | P | A | -1.2051 | |
| 334 | A | A | -0.8970 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -1.2511 | |
| 337 | A | A | 0.0000 | |
| 338 | T | A | -0.5199 | |
| 339 | Q | A | -0.5153 | |
| 340 | P | A | 0.0000 | |
| 341 | G | A | -0.5360 | |
| 342 | G | A | -0.7752 | |
| 343 | S | A | -0.7049 | |
| 344 | G | A | -0.6925 | |
| 345 | A | A | -0.6109 | |
| 346 | L | A | -0.2927 | |
| 347 | K | A | -0.4285 | |
| 348 | L | A | -0.3181 | |
| 349 | E | A | -0.9386 | |
| 350 | S | A | -1.1794 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -1.9011 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | -1.1478 | |
| 355 | S | A | -0.9958 | |
| 356 | D | A | -1.8942 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -2.2327 | |
| 360 | D | A | -2.0537 | |
| 361 | L | A | -1.1520 | |
| 362 | C | A | -0.6881 | |
| 363 | G | A | -1.1190 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | A | A | -0.2665 | |
| 367 | S | A | -0.8851 | |
| 368 | G | A | -0.7913 | |
| 369 | S | A | -0.9683 | |
| 370 | G | A | -0.9935 | |
| 371 | D | A | -0.9985 | |
| 372 | A | A | -0.7640 | |
| 373 | T | A | 0.0000 | |
| 374 | Q | A | 0.0000 | |
| 375 | K | A | -2.0654 | |
| 376 | P | A | -1.4820 | |
| 377 | N | A | -1.9048 | |
| 378 | T | A | -1.7220 | |
| 379 | A | A | -1.8910 | |
| 380 | K | A | -2.3866 | |
| 381 | H | A | -1.8789 | |
| 382 | P | A | -1.0564 | |
| 383 | A | A | -1.2519 | |
| 384 | L | A | -1.1933 | |
| 385 | E | A | -1.6084 | |
| 386 | A | A | 0.0000 | |
| 387 | T | A | -0.7401 | |
| 388 | Q | A | 0.0000 | |
| 389 | P | A | 0.0000 | |
| 390 | G | A | -0.7767 | |
| 391 | G | A | -0.6745 | |
| 392 | S | A | -0.5674 | |
| 393 | G | A | 0.0000 | |
| 394 | E | A | -0.5236 | |
| 395 | L | A | 0.0000 | |
| 396 | A | A | 0.2428 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | N | A | -2.4521 | |
| 401 | K | A | -2.9060 | |
| 402 | L | A | 0.0000 | |
| 403 | G | A | -0.6736 | |
| 404 | D | A | -0.7838 | |
| 405 | V | A | 0.7920 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.5810 | |
| 409 | E | A | -0.3900 | |
| 410 | L | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.1397 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | L | A | 0.5766 | |
| 416 | G | A | 0.0444 | |
| 417 | S | A | -0.0986 | |
| 418 | G | A | -0.4107 | |
| 419 | D | A | 0.0000 | |
| 420 | A | A | -0.5757 | |
| 421 | T | A | 0.0000 | |
| 422 | Q | A | -1.2717 | |
| 423 | K | A | -1.1076 | |
| 424 | P | A | -0.9425 | |
| 425 | N | A | -1.0870 | |
| 426 | T | A | -1.3432 | |
| 427 | A | A | -1.6036 | |
| 428 | K | A | -2.7343 | |
| 429 | H | A | -2.4265 | |
| 430 | P | A | -1.7715 | |
| 431 | A | A | -1.6118 | |
| 432 | L | A | 0.0000 | |
| 433 | E | A | -1.6225 | |
| 434 | A | A | 0.0000 | |
| 435 | T | A | -1.0665 | |
| 436 | Q | A | -1.2296 | |
| 437 | P | A | -1.1482 | |
| 438 | G | A | -0.8485 | |
| 439 | G | A | 0.0000 | |
| 440 | S | A | -0.5126 | |
| 441 | G | A | -0.4370 | |
| 442 | T | A | 0.0000 | |
| 443 | L | A | 0.4537 | |
| 444 | W | A | 0.9963 | |
| 445 | I | A | 0.0000 | |
| 446 | W | A | 0.7140 | |
| 447 | E | A | -1.1448 | |
| 448 | C | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | T | A | -1.5583 | |
| 452 | A | A | -1.7744 | |
| 453 | K | A | -1.9558 | |
| 454 | G | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | G | A | -1.7976 | |
| 457 | D | A | -1.7499 | |
| 458 | L | A | -0.8968 | |
| 459 | C | A | 0.0000 | |
| 460 | R | A | -2.2592 | |
| 461 | V | A | -1.0435 | |
| 462 | L | A | -1.1584 | |
| 463 | R | A | -2.3896 | |
| 464 | A | A | -1.1626 | |
| 465 | G | A | -1.0443 | |
| 466 | S | A | -1.3230 | |
| 467 | G | A | -0.9602 | |
| 468 | D | A | -1.0288 | |
| 469 | A | A | -1.0646 | |
| 470 | T | A | 0.0000 | |
| 471 | Q | A | -1.9002 | |
| 472 | K | A | -1.8954 | |
| 473 | P | A | -1.4800 | |
| 474 | N | A | -1.5168 | |
| 475 | T | A | 0.0000 | |
| 476 | A | A | -1.8038 | |
| 477 | K | A | -2.3868 | |
| 478 | H | A | 0.0000 | |
| 479 | P | A | -1.2374 | |
| 480 | A | A | -0.9721 | |
| 481 | L | A | 0.0000 | |
| 482 | E | A | -1.2208 | |
| 483 | A | A | 0.0000 | |
| 484 | T | A | -1.2426 | |
| 485 | Q | A | -1.5318 | |
| 486 | P | A | 0.0000 | |
| 487 | G | A | -0.9317 | |
| 488 | G | A | 0.0000 | |
| 489 | S | A | -0.5940 | |
| 490 | G | A | -0.5411 | |
| 491 | E | A | -0.3187 | |
| 492 | L | A | 0.4352 | |
| 493 | S | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | A | A | 0.0000 | |
| 496 | G | A | -1.1514 | |
| 497 | N | A | 0.0000 | |
| 498 | E | A | -2.1911 | |
| 499 | L | A | 0.0000 | |
| 500 | G | A | -1.8644 | |
| 501 | D | A | -2.1301 | |
| 502 | E | A | -2.6765 | |
| 503 | G | A | 0.0000 | |
| 504 | A | A | -1.6257 | |
| 505 | R | A | -2.0968 | |
| 506 | L | A | -1.5010 | |
| 507 | L | A | -0.9397 | |
| 508 | C | A | 0.0000 | |
| 509 | E | A | -1.3028 | |
| 510 | T | A | 0.0000 | |
| 511 | L | A | -0.8273 | |
| 512 | L | A | -0.8461 | |
| 513 | G | A | -1.1834 | |
| 514 | S | A | -1.3350 | |
| 515 | G | A | -1.7866 | |
| 516 | D | A | -2.2315 | |
| 517 | A | A | -1.3063 | |
| 518 | T | A | -1.5274 | |
| 519 | Q | A | -1.8895 | |
| 520 | K | A | -2.3898 | |
| 521 | P | A | -1.6727 | |
| 522 | N | A | -1.2587 | |
| 523 | T | A | -0.9443 | |
| 524 | A | A | -0.8554 | |
| 525 | K | A | -1.3016 | |
| 526 | H | A | -1.3593 | |
| 527 | P | A | -0.8746 | |
| 528 | A | A | -0.7643 | |
| 529 | L | A | 0.0000 | |
| 530 | E | A | -1.5045 | |
| 531 | A | A | 0.0000 | |
| 532 | T | A | -1.0268 | |
| 533 | Q | A | 0.0000 | |
| 534 | P | A | -1.1181 | |
| 535 | G | A | -0.9046 | |
| 536 | G | A | -0.8797 | |
| 537 | S | A | -0.8078 | |
| 538 | G | A | -0.7048 | |
| 539 | S | A | -0.3962 | |
| 540 | L | A | 0.0462 | |
| 541 | W | A | 0.2349 | |
| 542 | V | A | 0.0000 | |
| 543 | K | A | -1.1810 | |
| 544 | S | A | -1.6614 | |
| 545 | C | A | 0.0000 | |
| 546 | S | A | -1.5377 | |
| 547 | F | A | 0.0000 | |
| 548 | T | A | -1.0690 | |
| 549 | A | A | -1.1147 | |
| 550 | A | A | -0.6735 | |
| 551 | C | A | 0.0000 | |
| 552 | C | A | 0.0000 | |
| 553 | S | A | -0.7415 | |
| 554 | H | A | -0.6292 | |
| 555 | F | A | -0.2372 | |
| 556 | S | A | 0.0000 | |
| 557 | S | A | -0.6141 | |
| 558 | V | A | -0.3581 | |
| 559 | L | A | -0.5698 | |
| 560 | A | A | -1.0991 | |
| 561 | Q | A | -1.8310 | |
| 562 | G | A | -1.6327 | |
| 563 | S | A | -1.6038 | |
| 564 | G | A | -1.6725 | |
| 565 | D | A | -1.5079 | |
| 566 | A | A | -0.7494 | |
| 567 | T | A | -0.5736 | |
| 568 | Q | A | 0.0000 | |
| 569 | K | A | -0.9334 | |
| 570 | P | A | -0.9013 | |
| 571 | N | A | -1.0506 | |
| 572 | T | A | -0.9385 | |
| 573 | A | A | -1.0558 | |
| 574 | K | A | -2.2676 | |
| 575 | H | A | 0.0000 | |
| 576 | P | A | 0.0000 | |
| 577 | A | A | -1.2952 | |
| 578 | L | A | 0.0000 | |
| 579 | E | A | -1.7889 | |
| 580 | A | A | 0.0000 | |
| 581 | T | A | -0.9473 | |
| 582 | Q | A | 0.0000 | |
| 583 | P | A | -0.6902 | |
| 584 | G | A | -0.8365 | |
| 585 | G | A | -1.0683 | |
| 586 | S | A | -0.8457 | |
| 587 | G | A | -0.8609 | |
| 588 | E | A | -0.6748 | |
| 589 | L | A | 0.0000 | |
| 590 | Q | A | -0.1869 | |
| 591 | I | A | 0.0000 | |
| 592 | S | A | 0.0000 | |
| 593 | N | A | -2.2501 | |
| 594 | N | A | 0.0000 | |
| 595 | R | A | -3.2595 | |
| 596 | L | A | 0.0000 | |
| 597 | E | A | -3.0580 | |
| 598 | D | A | -2.5962 | |
| 599 | A | A | -1.5813 | |
| 600 | G | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | R | A | -2.3945 | |
| 603 | E | A | -1.9759 | |
| 604 | L | A | 0.0000 | |
| 605 | C | A | 0.0000 | |
| 606 | Q | A | -1.9111 | |
| 607 | G | A | 0.0000 | |
| 608 | L | A | -0.9567 | |
| 609 | G | A | -0.7505 | |
| 610 | G | A | -1.3751 | |
| 611 | S | A | -1.4757 | |
| 612 | G | A | -1.1062 | |
| 613 | D | A | -1.4513 | |
| 614 | A | A | -0.8397 | |
| 615 | T | A | -0.5986 | |
| 616 | Q | A | -0.4979 | |
| 617 | K | A | 0.0000 | |
| 618 | P | A | -0.8912 | |
| 619 | N | A | 0.0000 | |
| 620 | T | A | -1.4412 | |
| 621 | A | A | -1.6451 | |
| 622 | K | A | -2.2591 | |
| 623 | H | A | -1.4359 | |
| 624 | P | A | -0.8017 | |
| 625 | A | A | -1.1356 | |
| 626 | L | A | 0.0000 | |
| 627 | E | A | -1.9543 | |
| 628 | A | A | 0.0000 | |
| 629 | T | A | -0.9135 | |
| 630 | Q | A | -0.5071 | |
| 631 | P | A | -0.7139 | |
| 632 | G | A | -0.6647 | |
| 633 | G | A | -0.8461 | |
| 634 | S | A | -0.8111 | |
| 635 | G | A | -0.7550 | |
| 636 | V | A | -0.4896 | |
| 637 | L | A | 0.0000 | |
| 638 | W | A | 0.2374 | |
| 639 | L | A | -0.4713 | |
| 640 | A | A | 0.0000 | |
| 641 | D | A | -2.5986 | |
| 642 | C | A | -2.6829 | |
| 643 | D | A | -2.7435 | |
| 644 | V | A | -2.1734 | |
| 645 | S | A | -1.6424 | |
| 646 | D | A | -2.0784 | |
| 647 | S | A | -1.4487 | |
| 648 | S | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | S | A | -0.9134 | |
| 651 | S | A | -1.0024 | |
| 652 | L | A | 0.0000 | |
| 653 | A | A | 0.0482 | |
| 654 | A | A | 0.1275 | |
| 655 | T | A | 0.0000 | |
| 656 | L | A | 0.0000 | |
| 657 | L | A | 1.2130 | |
| 658 | A | A | 0.2117 | |
| 659 | G | A | -0.4597 | |
| 660 | S | A | 0.0000 | |
| 661 | G | A | -0.5719 | |
| 662 | D | A | -0.8897 | |
| 663 | A | A | 0.0000 | |
| 664 | T | A | -0.7571 | |
| 665 | Q | A | -0.8565 | |
| 666 | K | A | -1.2823 | |
| 667 | P | A | -1.3195 | |
| 668 | N | A | -2.1026 | |
| 669 | T | A | -1.6900 | |
| 670 | A | A | 0.0000 | |
| 671 | K | A | -1.8220 | |
| 672 | H | A | 0.0000 | |
| 673 | P | A | -1.4038 | |
| 674 | A | A | -1.2637 | |
| 675 | L | A | 0.0000 | |
| 676 | E | A | -2.7053 | |
| 677 | A | A | 0.0000 | |
| 678 | T | A | -1.0376 | |
| 679 | Q | A | 0.0000 | |
| 680 | P | A | 0.0000 | |
| 681 | G | A | -0.6386 | |
| 682 | G | A | -0.8460 | |
| 683 | S | A | -0.8189 | |
| 684 | G | A | -0.8888 | |
| 685 | E | A | -1.1415 | |
| 686 | L | A | 0.0000 | |
| 687 | D | A | 0.0000 | |
| 688 | L | A | 0.0000 | |
| 689 | S | A | -0.9549 | |
| 690 | N | A | -2.0446 | |
| 691 | N | A | -2.0956 | |
| 692 | C | A | 0.0000 | |
| 693 | L | A | -0.6540 | |
| 694 | G | A | -0.4534 | |
| 695 | D | A | -0.5474 | |
| 696 | A | A | -0.5335 | |
| 697 | G | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | L | A | -1.0251 | |
| 700 | Q | A | -1.0957 | |
| 701 | L | A | 0.0000 | |
| 702 | V | A | 0.0000 | |
| 703 | E | A | -2.0586 | |
| 704 | S | A | -1.0085 | |
| 705 | V | A | 0.0000 | |
| 706 | R | A | -3.1108 | |
| 707 | G | A | -1.5247 | |
| 708 | S | A | -0.7272 | |
| 709 | G | A | -0.9800 | |
| 710 | D | A | 0.0000 | |
| 711 | A | A | 0.0000 | |
| 712 | T | A | 0.0000 | |
| 713 | Q | A | 0.0000 | |
| 714 | K | A | 0.0000 | |
| 715 | P | A | 0.0000 | |
| 716 | N | A | 0.0000 | |
| 717 | T | A | 0.0000 | |
| 718 | A | A | -1.9708 | |
| 719 | K | A | -2.3492 | |
| 720 | H | A | 0.0000 | |
| 721 | P | A | -1.5421 | |
| 722 | A | A | -1.4550 | |
| 723 | L | A | 0.0000 | |
| 724 | E | A | -2.9812 | |
| 725 | A | A | 0.0000 | |
| 726 | T | A | -1.1762 | |
| 727 | Q | A | 0.0000 | |
| 728 | P | A | -0.5460 | |
| 729 | G | A | -0.6725 | |
| 730 | G | A | 0.0000 | |
| 731 | S | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | Q | A | -1.2328 | |
| 734 | L | A | 0.0000 | |
| 735 | V | A | 0.2319 | |
| 736 | L | A | 0.0000 | |
| 737 | Y | A | 0.1796 | |
| 738 | D | A | -1.3752 | |
| 739 | I | A | 0.0000 | |
| 740 | Y | A | 0.7711 | |
| 741 | W | A | -0.4781 | |
| 742 | S | A | -1.7045 | |
| 743 | E | A | -3.5129 | |
| 744 | E | A | -3.8082 | |
| 745 | M | A | 0.0000 | |
| 746 | E | A | -2.9963 | |
| 747 | D | A | -4.1205 | |
| 748 | R | A | -3.7227 | |
| 749 | L | A | 0.0000 | |
| 750 | Q | A | -3.1949 | |
| 751 | A | A | -3.0026 | |
| 752 | L | A | 0.0000 | |
| 753 | E | A | -3.2778 | |
| 754 | K | A | -3.4235 | |
| 755 | D | A | -3.7352 | |
| 756 | G | A | -2.8144 | |
| 757 | S | A | -2.0763 | |
| 758 | G | A | -1.3206 | |
| 759 | D | A | -1.1136 | |
| 760 | A | A | -0.7836 | |
| 761 | T | A | -0.8855 | |
| 762 | Q | A | -1.4458 | |
| 763 | K | A | -1.2819 | |
| 764 | P | A | -1.3861 | |
| 765 | N | A | -1.9390 | |
| 766 | T | A | -1.8082 | |
| 767 | A | A | 0.0000 | |
| 768 | K | A | -2.6745 | |
| 769 | H | A | -2.0446 | |
| 770 | P | A | -1.5813 | |
| 771 | A | A | -1.5001 | |
| 772 | L | A | 0.0000 | |
| 773 | E | A | -2.8915 | |
| 774 | A | A | -1.8436 | |
| 775 | T | A | -1.1465 | |
| 776 | Q | A | -0.9400 | |
| 777 | P | A | -0.7776 | |
| 778 | G | A | -1.0330 | |
| 779 | G | A | -0.9843 | |
| 780 | S | A | -1.5807 | |
| 781 | G | A | 0.0000 | |
| 782 | R | A | -2.8727 | |
| 783 | V | A | 0.0000 | |
| 784 | I | A | 0.3088 | |
| 785 | S | A | -0.2871 |
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, -0.8571 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_8 | -0.8571 | View | CSV | PDB |
| model_4 | -0.859 | View | CSV | PDB |
| model_0 | -0.8656 | View | CSV | PDB |
| model_9 | -0.869 | View | CSV | PDB |
| model_3 | -0.8722 | View | CSV | PDB |
| model_1 | -0.8844 | View | CSV | PDB |
| model_2 | -0.9026 | View | CSV | PDB |
| CABS_average | -0.9032 | View | CSV | PDB |
| model_7 | -0.9035 | View | CSV | PDB |
| model_5 | -0.9094 | View | CSV | PDB |
| model_6 | -0.9157 | View | CSV | PDB |
| model_10 | -0.922 | View | CSV | PDB |
| model_11 | -1.0781 | View | CSV | PDB |
| input | -1.327 | 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