Project name: C11_A10_EF_A2_EF_GSG
Status: done
Started: 2026-07-21 11:03:52
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGGSNTKPNEAPHPGFTGSGVRLDDCGLTEARCKDISSALRVGSGGSNTKPNEAPHPGFTGSGELNLRSNELGDVGVHCVLQGLQGSGGSNTKPNEAPHPGFTGSGKLSLQNCCLTGAGCGVLSSTLRTGSGGSNTKPNEAPHPGFTGSGELHLSDNLLGDAGLQLLCEGLLGSGGSNTKPNEAPHPGFTGSGKLQLEYCSLSAASCEPLASVLRAGSGGSNTKPNEAPHPGFTGSGELTVSNNDINEAGVRVLCQGLKDGSGGSNTKPNEAPHPGFTGSGALKLESCGVTSDNCRDLCGIVASGSGGSNTKPNEAPHPGFTGSGELALGSNKLGDVGMAELCPGLLGSGDATQKPNTAKHPALEATQPGGSGTLWIWECGITAKGCGDLCRVLRAGSGDATQKPNTAKHPALEATQPGGSGELSLAGNELGDEGARLLCETLLGSGDATQKPNTAKHPALEATQPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGDATQKPNTAKHPALEATQPGGSGELQISNNRLEDAGVRELCQGLGGSGDATQKPNTAKHPALEATQPGGSGVLWLADCDVSDSSCSSLAATLLAGSGDATQKPNTAKHPALEATQPGGSGELDLSNNCLGDAGILQLVESVRGSGDATQKPNTAKHPALEATQPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGDATQKPNTAKHPALEATQPGGSGRVIS
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 (00:11:29)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:41:23)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:41:31)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:41:37)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:41:45)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:41:52)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:41:59)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:42:06)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:42:14)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:42:21)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:42:28)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:42:35)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:42:41)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:42:48)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:43:06)
[INFO] Main: Simulation completed successfully. (02:43:13)
|
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
- -4.403
- Maximal score value
- 1.4287
- Average score
- -0.849
- Total score value
- -632.5257
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 | -0.1171 | |
| 2 | L | A | 0.8573 | |
| 3 | D | A | -0.0990 | |
| 4 | I | A | 0.5781 | |
| 5 | Q | A | -0.2791 | |
| 6 | S | A | -0.6239 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -1.8719 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.9370 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.0465 | |
| 13 | E | A | -2.5622 | |
| 14 | L | A | -0.9778 | |
| 15 | S | A | -1.3865 | |
| 16 | D | A | -2.1730 | |
| 17 | A | A | -1.7407 | |
| 18 | R | A | -2.4994 | |
| 19 | W | A | -1.6511 | |
| 20 | A | A | -1.4744 | |
| 21 | E | A | -2.1676 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.7441 | |
| 24 | P | A | -0.7678 | |
| 25 | L | A | -0.2495 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.0653 | |
| 28 | G | A | -0.3315 | |
| 29 | S | A | -0.2644 | |
| 30 | G | A | 0.0000 | |
| 31 | G | A | -0.7157 | |
| 32 | S | A | -1.0769 | |
| 33 | N | A | -1.8151 | |
| 34 | T | A | -1.8042 | |
| 35 | K | A | -2.6549 | |
| 36 | P | A | -2.1012 | |
| 37 | N | A | -2.5491 | |
| 38 | E | A | -2.9180 | |
| 39 | A | A | 0.0000 | |
| 40 | P | A | -1.9971 | |
| 41 | H | A | -1.6808 | |
| 42 | P | A | -1.1721 | |
| 43 | G | A | -0.9220 | |
| 44 | F | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -1.8150 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.9974 | |
| 53 | D | A | -3.6471 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -2.1159 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -0.8695 | |
| 58 | E | A | -2.0411 | |
| 59 | A | A | -1.4293 | |
| 60 | R | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.4308 | |
| 63 | D | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -1.4326 | |
| 66 | S | A | -1.2913 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -2.3112 | |
| 70 | V | A | -0.9219 | |
| 71 | G | A | -0.9766 | |
| 72 | S | A | -1.1409 | |
| 73 | G | A | -1.2339 | |
| 74 | G | A | -1.0985 | |
| 75 | S | A | 0.0000 | |
| 76 | N | A | -2.3716 | |
| 77 | T | A | -2.5259 | |
| 78 | K | A | -2.4641 | |
| 79 | P | A | -2.0117 | |
| 80 | N | A | -2.5526 | |
| 81 | E | A | -2.4670 | |
| 82 | A | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | H | A | 0.0000 | |
| 85 | P | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | T | A | -0.3342 | |
| 89 | G | A | -0.5132 | |
| 90 | S | A | -0.6620 | |
| 91 | G | A | 0.0000 | |
| 92 | E | A | -0.7071 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -2.3561 | |
| 97 | S | A | -2.2021 | |
| 98 | N | A | -2.4704 | |
| 99 | E | A | -2.1247 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.7041 | |
| 102 | D | A | -0.1134 | |
| 103 | V | A | 0.8136 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.6326 | |
| 107 | C | A | -0.7807 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.5935 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | Q | A | -1.2740 | |
| 114 | G | A | -1.2832 | |
| 115 | S | A | 0.0000 | |
| 116 | G | A | -0.6610 | |
| 117 | G | A | -0.7132 | |
| 118 | S | A | -1.0174 | |
| 119 | N | A | -1.4911 | |
| 120 | T | A | -1.9000 | |
| 121 | K | A | -3.1368 | |
| 122 | P | A | -2.6134 | |
| 123 | N | A | -2.5762 | |
| 124 | E | A | 0.0000 | |
| 125 | A | A | -0.9590 | |
| 126 | P | A | -0.5044 | |
| 127 | H | A | 0.0000 | |
| 128 | P | A | -0.2962 | |
| 129 | G | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | T | A | -0.3620 | |
| 132 | G | A | -0.5440 | |
| 133 | S | A | -0.4134 | |
| 134 | G | A | 0.0000 | |
| 135 | K | A | -0.8242 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | -0.6527 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.6420 | |
| 140 | N | A | -1.2821 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | -0.0301 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.3275 | |
| 145 | G | A | -0.1869 | |
| 146 | A | A | 0.0610 | |
| 147 | G | A | -0.0268 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.2534 | |
| 150 | V | A | -0.2678 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.8399 | |
| 153 | S | A | -1.0078 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.2317 | |
| 157 | T | A | -1.2014 | |
| 158 | G | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | G | A | -0.9990 | |
| 161 | G | A | -1.0565 | |
| 162 | S | A | -0.7574 | |
| 163 | N | A | -0.6021 | |
| 164 | T | A | -0.8662 | |
| 165 | K | A | 0.0000 | |
| 166 | P | A | -1.2294 | |
| 167 | N | A | -1.3829 | |
| 168 | E | A | -0.9188 | |
| 169 | A | A | -0.8676 | |
| 170 | P | A | -0.8669 | |
| 171 | H | A | -0.7115 | |
| 172 | P | A | -0.3251 | |
| 173 | G | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | T | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | S | A | -0.1548 | |
| 178 | G | A | -0.4474 | |
| 179 | E | A | -0.7359 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.6680 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -0.5646 | |
| 185 | N | A | -0.1661 | |
| 186 | L | A | 1.1646 | |
| 187 | L | A | 0.3490 | |
| 188 | G | A | -0.6340 | |
| 189 | D | A | -1.7690 | |
| 190 | A | A | -0.9955 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.9491 | |
| 194 | L | A | -0.6937 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -2.0430 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -0.5899 | |
| 201 | G | A | -0.8773 | |
| 202 | S | A | -0.7593 | |
| 203 | G | A | -0.7839 | |
| 204 | G | A | -0.9193 | |
| 205 | S | A | -1.0627 | |
| 206 | N | A | -1.3192 | |
| 207 | T | A | -1.9078 | |
| 208 | K | A | -2.5471 | |
| 209 | P | A | -1.9768 | |
| 210 | N | A | -2.2471 | |
| 211 | E | A | -1.9162 | |
| 212 | A | A | -1.3682 | |
| 213 | P | A | -0.8871 | |
| 214 | H | A | 0.0000 | |
| 215 | P | A | -0.2099 | |
| 216 | G | A | 0.0000 | |
| 217 | F | A | 0.2313 | |
| 218 | T | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | K | A | -0.2645 | |
| 223 | L | A | -0.3145 | |
| 224 | Q | A | -0.6620 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.1682 | |
| 227 | Y | A | -0.4087 | |
| 228 | C | A | 0.0816 | |
| 229 | S | A | -0.4543 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.4393 | |
| 232 | A | A | -1.4905 | |
| 233 | A | A | -1.3743 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -2.0076 | |
| 237 | P | A | -1.7345 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | -1.6356 | |
| 240 | S | A | -1.4919 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | -1.5748 | |
| 243 | R | A | -2.7463 | |
| 244 | A | A | -1.0524 | |
| 245 | G | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | G | A | -1.5997 | |
| 248 | G | A | -1.1409 | |
| 249 | S | A | 0.0000 | |
| 250 | N | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | K | A | -1.5934 | |
| 253 | P | A | -1.5230 | |
| 254 | N | A | -1.7047 | |
| 255 | E | A | -1.2783 | |
| 256 | A | A | -0.7506 | |
| 257 | P | A | 0.0000 | |
| 258 | H | A | 0.0000 | |
| 259 | P | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | G | A | -0.3794 | |
| 264 | S | A | -0.2157 | |
| 265 | G | A | -0.1714 | |
| 266 | E | A | -0.5419 | |
| 267 | L | A | -0.2119 | |
| 268 | T | A | -0.7077 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -1.4187 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -2.3650 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.1860 | |
| 276 | E | A | -1.7633 | |
| 277 | A | A | -0.8871 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -1.6656 | |
| 281 | V | A | -0.9988 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.6203 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | -2.0110 | |
| 287 | K | A | -3.2164 | |
| 288 | D | A | -3.4843 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | G | A | -1.5030 | |
| 292 | G | A | -1.7781 | |
| 293 | S | A | -1.1361 | |
| 294 | N | A | -1.1997 | |
| 295 | T | A | -1.1523 | |
| 296 | K | A | -1.1787 | |
| 297 | P | A | -0.9812 | |
| 298 | N | A | -1.6432 | |
| 299 | E | A | -1.7210 | |
| 300 | A | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | H | A | 0.0000 | |
| 303 | P | A | -0.6668 | |
| 304 | G | A | 0.0000 | |
| 305 | F | A | -0.4706 | |
| 306 | T | A | -0.4307 | |
| 307 | G | A | -0.8421 | |
| 308 | S | A | -0.5043 | |
| 309 | G | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | -0.3626 | |
| 312 | K | A | -0.8388 | |
| 313 | L | A | -0.8686 | |
| 314 | E | A | -1.7927 | |
| 315 | S | A | -2.0669 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -0.9204 | |
| 320 | S | A | -0.7197 | |
| 321 | D | A | -1.6948 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.4651 | |
| 325 | D | A | -2.0018 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -0.7593 | |
| 328 | G | A | -1.1336 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.1119 | |
| 331 | A | A | 0.0563 | |
| 332 | S | A | -0.6408 | |
| 333 | G | A | -0.4955 | |
| 334 | S | A | -0.7034 | |
| 335 | G | A | -0.7880 | |
| 336 | G | A | -0.7210 | |
| 337 | S | A | -1.0161 | |
| 338 | N | A | 0.0000 | |
| 339 | T | A | -1.3628 | |
| 340 | K | A | -2.2073 | |
| 341 | P | A | -1.7546 | |
| 342 | N | A | -1.2963 | |
| 343 | E | A | -0.9805 | |
| 344 | A | A | -0.5544 | |
| 345 | P | A | -0.4314 | |
| 346 | H | A | -0.5085 | |
| 347 | P | A | -0.1408 | |
| 348 | G | A | 0.0728 | |
| 349 | F | A | 1.4287 | |
| 350 | T | A | 0.2743 | |
| 351 | G | A | -0.4822 | |
| 352 | S | A | -0.7106 | |
| 353 | G | A | -0.9828 | |
| 354 | E | A | -0.9217 | |
| 355 | L | A | -0.1740 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | -1.0896 | |
| 359 | S | A | 0.0000 | |
| 360 | N | A | -2.3715 | |
| 361 | K | A | -1.9358 | |
| 362 | L | A | -0.5637 | |
| 363 | G | A | -0.0878 | |
| 364 | D | A | -0.4531 | |
| 365 | V | A | 1.0284 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.2994 | |
| 369 | E | A | -0.6792 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.0232 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.4882 | |
| 375 | L | A | 0.7471 | |
| 376 | G | A | -0.0901 | |
| 377 | S | A | -0.3089 | |
| 378 | G | A | -1.0255 | |
| 379 | D | A | -2.0141 | |
| 380 | A | A | -1.5120 | |
| 381 | T | A | -1.8234 | |
| 382 | Q | A | -2.2425 | |
| 383 | K | A | -2.5199 | |
| 384 | P | A | -1.7658 | |
| 385 | N | A | 0.0000 | |
| 386 | T | A | -1.4949 | |
| 387 | A | A | -1.5738 | |
| 388 | K | A | -2.3058 | |
| 389 | H | A | -1.3672 | |
| 390 | P | A | -0.7109 | |
| 391 | A | A | 0.1520 | |
| 392 | L | A | 1.2538 | |
| 393 | E | A | 0.1685 | |
| 394 | A | A | -0.0311 | |
| 395 | T | A | -0.6895 | |
| 396 | Q | A | -1.6009 | |
| 397 | P | A | -1.2306 | |
| 398 | G | A | -1.1556 | |
| 399 | G | A | -1.1447 | |
| 400 | S | A | -0.9998 | |
| 401 | G | A | -0.8702 | |
| 402 | T | A | -0.4717 | |
| 403 | L | A | 0.1725 | |
| 404 | W | A | 0.2658 | |
| 405 | I | A | 0.0000 | |
| 406 | W | A | 0.0000 | |
| 407 | E | A | -2.5851 | |
| 408 | C | A | 0.0000 | |
| 409 | G | A | -1.6120 | |
| 410 | I | A | 0.0000 | |
| 411 | T | A | -1.3167 | |
| 412 | A | A | 0.0000 | |
| 413 | K | A | -1.7446 | |
| 414 | G | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | G | A | -1.8259 | |
| 417 | D | A | -1.3321 | |
| 418 | L | A | -0.7236 | |
| 419 | C | A | 0.0000 | |
| 420 | R | A | -2.0736 | |
| 421 | V | A | -0.6529 | |
| 422 | L | A | -0.8390 | |
| 423 | R | A | -2.0057 | |
| 424 | A | A | -1.4032 | |
| 425 | G | A | -1.0668 | |
| 426 | S | A | -1.4449 | |
| 427 | G | A | -1.6972 | |
| 428 | D | A | 0.0000 | |
| 429 | A | A | -1.4690 | |
| 430 | T | A | -1.4011 | |
| 431 | Q | A | 0.0000 | |
| 432 | K | A | -2.5569 | |
| 433 | P | A | -1.9642 | |
| 434 | N | A | -2.2110 | |
| 435 | T | A | -1.6496 | |
| 436 | A | A | -1.2235 | |
| 437 | K | A | -2.2273 | |
| 438 | H | A | -1.4013 | |
| 439 | P | A | -0.4476 | |
| 440 | A | A | 0.1711 | |
| 441 | L | A | 0.0000 | |
| 442 | E | A | 0.0000 | |
| 443 | A | A | -0.0905 | |
| 444 | T | A | 0.0000 | |
| 445 | Q | A | -1.1630 | |
| 446 | P | A | 0.0000 | |
| 447 | G | A | -1.3866 | |
| 448 | G | A | -1.4412 | |
| 449 | S | A | -1.0539 | |
| 450 | G | A | -0.6671 | |
| 451 | E | A | -0.9120 | |
| 452 | L | A | -0.0908 | |
| 453 | S | A | 0.0025 | |
| 454 | L | A | 0.0000 | |
| 455 | A | A | -1.0495 | |
| 456 | G | A | -1.4093 | |
| 457 | N | A | -2.0206 | |
| 458 | E | A | -1.8309 | |
| 459 | L | A | -0.6317 | |
| 460 | G | A | -1.3938 | |
| 461 | D | A | -1.6625 | |
| 462 | E | A | -2.3314 | |
| 463 | G | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | R | A | -2.8275 | |
| 466 | L | A | -2.0612 | |
| 467 | L | A | 0.0000 | |
| 468 | C | A | 0.0000 | |
| 469 | E | A | -2.2527 | |
| 470 | T | A | 0.0000 | |
| 471 | L | A | -0.4370 | |
| 472 | L | A | -0.2670 | |
| 473 | G | A | -0.9715 | |
| 474 | S | A | -1.1696 | |
| 475 | G | A | -1.6072 | |
| 476 | D | A | -2.2393 | |
| 477 | A | A | -1.4361 | |
| 478 | T | A | -0.7865 | |
| 479 | Q | A | 0.0000 | |
| 480 | K | A | 0.0000 | |
| 481 | P | A | -1.3500 | |
| 482 | N | A | -1.7129 | |
| 483 | T | A | -1.2210 | |
| 484 | A | A | -0.6190 | |
| 485 | K | A | -1.3294 | |
| 486 | H | A | 0.0000 | |
| 487 | P | A | -0.7864 | |
| 488 | A | A | -0.3886 | |
| 489 | L | A | -0.1552 | |
| 490 | E | A | -1.0333 | |
| 491 | A | A | -0.8296 | |
| 492 | T | A | 0.0000 | |
| 493 | Q | A | -1.4810 | |
| 494 | P | A | -1.0886 | |
| 495 | G | A | -1.0311 | |
| 496 | G | A | -1.2499 | |
| 497 | S | A | -1.0184 | |
| 498 | G | A | -0.7809 | |
| 499 | S | A | -0.7061 | |
| 500 | L | A | 0.0000 | |
| 501 | W | A | 0.0000 | |
| 502 | V | A | 0.0000 | |
| 503 | K | A | -1.0755 | |
| 504 | S | A | -1.6129 | |
| 505 | C | A | -1.1539 | |
| 506 | S | A | -1.4009 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | -1.0703 | |
| 509 | A | A | -1.3247 | |
| 510 | A | A | -0.9831 | |
| 511 | C | A | 0.0000 | |
| 512 | C | A | 0.0000 | |
| 513 | S | A | -1.0893 | |
| 514 | H | A | -1.3125 | |
| 515 | F | A | 0.0000 | |
| 516 | S | A | -0.7982 | |
| 517 | S | A | -0.7561 | |
| 518 | V | A | -0.2563 | |
| 519 | L | A | -0.1049 | |
| 520 | A | A | -0.6805 | |
| 521 | Q | A | -0.9014 | |
| 522 | G | A | -1.0392 | |
| 523 | S | A | -0.8414 | |
| 524 | G | A | -1.0555 | |
| 525 | D | A | -1.1075 | |
| 526 | A | A | -0.7471 | |
| 527 | T | A | 0.0000 | |
| 528 | Q | A | -2.7144 | |
| 529 | K | A | -3.0488 | |
| 530 | P | A | -2.1075 | |
| 531 | N | A | -2.3615 | |
| 532 | T | A | -1.9810 | |
| 533 | A | A | -1.2706 | |
| 534 | K | A | -1.9228 | |
| 535 | H | A | 0.0000 | |
| 536 | P | A | -0.3912 | |
| 537 | A | A | 0.2776 | |
| 538 | L | A | 0.0665 | |
| 539 | E | A | -1.4189 | |
| 540 | A | A | -1.1711 | |
| 541 | T | A | -1.3632 | |
| 542 | Q | A | -1.3678 | |
| 543 | P | A | -1.4285 | |
| 544 | G | A | -1.3424 | |
| 545 | G | A | -1.1755 | |
| 546 | S | A | -0.9463 | |
| 547 | G | A | -0.9224 | |
| 548 | E | A | -0.8254 | |
| 549 | L | A | -0.1097 | |
| 550 | Q | A | 0.0000 | |
| 551 | I | A | 0.0000 | |
| 552 | S | A | -0.6029 | |
| 553 | N | A | 0.0000 | |
| 554 | N | A | -2.5335 | |
| 555 | R | A | -2.4722 | |
| 556 | L | A | 0.0000 | |
| 557 | E | A | -3.0814 | |
| 558 | D | A | -2.9232 | |
| 559 | A | A | -2.0307 | |
| 560 | G | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | R | A | -3.2162 | |
| 563 | E | A | -2.6153 | |
| 564 | L | A | 0.0000 | |
| 565 | C | A | 0.0000 | |
| 566 | Q | A | -1.9908 | |
| 567 | G | A | 0.0000 | |
| 568 | L | A | -0.2349 | |
| 569 | G | A | -0.3617 | |
| 570 | G | A | -0.7909 | |
| 571 | S | A | -0.6299 | |
| 572 | G | A | -0.1478 | |
| 573 | D | A | 0.0000 | |
| 574 | A | A | -0.4693 | |
| 575 | T | A | 0.0000 | |
| 576 | Q | A | -1.1845 | |
| 577 | K | A | 0.0000 | |
| 578 | P | A | 0.0000 | |
| 579 | N | A | -2.1257 | |
| 580 | T | A | -1.5794 | |
| 581 | A | A | -1.5171 | |
| 582 | K | A | -2.1035 | |
| 583 | H | A | -1.1674 | |
| 584 | P | A | -0.7679 | |
| 585 | A | A | 0.0000 | |
| 586 | L | A | 0.9301 | |
| 587 | E | A | 0.0000 | |
| 588 | A | A | -0.7861 | |
| 589 | T | A | 0.0000 | |
| 590 | Q | A | -2.2861 | |
| 591 | P | A | -1.6098 | |
| 592 | G | A | -1.4718 | |
| 593 | G | A | -1.2666 | |
| 594 | S | A | -1.0447 | |
| 595 | G | A | -0.7905 | |
| 596 | V | A | 0.0000 | |
| 597 | L | A | -0.0050 | |
| 598 | W | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | A | A | -1.4462 | |
| 601 | D | A | -2.5587 | |
| 602 | C | A | 0.0000 | |
| 603 | D | A | -2.2490 | |
| 604 | V | A | 0.0000 | |
| 605 | S | A | -1.6617 | |
| 606 | D | A | -2.3171 | |
| 607 | S | A | -1.6292 | |
| 608 | S | A | 0.0000 | |
| 609 | C | A | 0.0000 | |
| 610 | S | A | -0.9348 | |
| 611 | S | A | -1.0891 | |
| 612 | L | A | 0.0000 | |
| 613 | A | A | 0.1764 | |
| 614 | A | A | 0.4915 | |
| 615 | T | A | 0.5292 | |
| 616 | L | A | 0.9353 | |
| 617 | L | A | 1.3694 | |
| 618 | A | A | 0.7738 | |
| 619 | G | A | 0.4028 | |
| 620 | S | A | 0.0900 | |
| 621 | G | A | -0.3104 | |
| 622 | D | A | -0.6017 | |
| 623 | A | A | -0.8474 | |
| 624 | T | A | 0.0000 | |
| 625 | Q | A | 0.0000 | |
| 626 | K | A | -0.6745 | |
| 627 | P | A | 0.0000 | |
| 628 | N | A | 0.0000 | |
| 629 | T | A | 0.0000 | |
| 630 | A | A | -1.8268 | |
| 631 | K | A | -2.2876 | |
| 632 | H | A | -2.0820 | |
| 633 | P | A | -1.5879 | |
| 634 | A | A | 0.0000 | |
| 635 | L | A | 0.0000 | |
| 636 | E | A | 0.0000 | |
| 637 | A | A | 0.0000 | |
| 638 | T | A | 0.0000 | |
| 639 | Q | A | -1.8909 | |
| 640 | P | A | -1.5755 | |
| 641 | G | A | -1.3496 | |
| 642 | G | A | -1.2287 | |
| 643 | S | A | -0.8586 | |
| 644 | G | A | -0.7529 | |
| 645 | E | A | -0.7343 | |
| 646 | L | A | -0.0809 | |
| 647 | D | A | 0.0000 | |
| 648 | L | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | N | A | -2.3653 | |
| 651 | N | A | -2.0680 | |
| 652 | C | A | -1.3246 | |
| 653 | L | A | 0.0000 | |
| 654 | G | A | -0.9656 | |
| 655 | D | A | -1.8706 | |
| 656 | A | A | -0.8373 | |
| 657 | G | A | 0.0000 | |
| 658 | I | A | 0.0000 | |
| 659 | L | A | -0.1185 | |
| 660 | Q | A | -1.0858 | |
| 661 | L | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | E | A | -1.7245 | |
| 664 | S | A | -0.8116 | |
| 665 | V | A | 0.0000 | |
| 666 | R | A | -1.7204 | |
| 667 | G | A | -1.3673 | |
| 668 | S | A | 0.0000 | |
| 669 | G | A | -1.5845 | |
| 670 | D | A | -2.1933 | |
| 671 | A | A | -1.0465 | |
| 672 | T | A | 0.0000 | |
| 673 | Q | A | -1.4291 | |
| 674 | K | A | -0.9738 | |
| 675 | P | A | -0.9263 | |
| 676 | N | A | -1.3617 | |
| 677 | T | A | -1.1226 | |
| 678 | A | A | -0.9160 | |
| 679 | K | A | -1.3103 | |
| 680 | H | A | -0.9176 | |
| 681 | P | A | -0.5890 | |
| 682 | A | A | -0.5325 | |
| 683 | L | A | -1.1975 | |
| 684 | E | A | -1.9413 | |
| 685 | A | A | 0.0000 | |
| 686 | T | A | 0.0000 | |
| 687 | Q | A | 0.0000 | |
| 688 | P | A | 0.0000 | |
| 689 | G | A | -1.1324 | |
| 690 | G | A | -1.1257 | |
| 691 | S | A | -0.9349 | |
| 692 | G | A | -0.7477 | |
| 693 | Q | A | -0.7186 | |
| 694 | L | A | 0.0000 | |
| 695 | V | A | 0.0000 | |
| 696 | L | A | -0.2686 | |
| 697 | Y | A | -1.0605 | |
| 698 | D | A | -1.7450 | |
| 699 | I | A | 0.0000 | |
| 700 | Y | A | -0.0109 | |
| 701 | W | A | 0.0000 | |
| 702 | S | A | -2.1751 | |
| 703 | E | A | -3.7781 | |
| 704 | E | A | -4.3843 | |
| 705 | M | A | -3.0064 | |
| 706 | E | A | -3.9312 | |
| 707 | D | A | -4.4030 | |
| 708 | R | A | -3.7701 | |
| 709 | L | A | 0.0000 | |
| 710 | Q | A | -3.8351 | |
| 711 | A | A | -3.0985 | |
| 712 | L | A | 0.0000 | |
| 713 | E | A | -3.4343 | |
| 714 | K | A | -3.7302 | |
| 715 | D | A | -3.4778 | |
| 716 | G | A | -2.5428 | |
| 717 | S | A | -1.9535 | |
| 718 | G | A | -1.6215 | |
| 719 | D | A | -1.8987 | |
| 720 | A | A | -1.3597 | |
| 721 | T | A | -1.4790 | |
| 722 | Q | A | -1.8379 | |
| 723 | K | A | -2.2415 | |
| 724 | P | A | 0.0000 | |
| 725 | N | A | -1.9215 | |
| 726 | T | A | -1.4441 | |
| 727 | A | A | -1.0761 | |
| 728 | K | A | -1.6780 | |
| 729 | H | A | 0.0000 | |
| 730 | P | A | -1.5475 | |
| 731 | A | A | -0.9559 | |
| 732 | L | A | 0.0000 | |
| 733 | E | A | -2.1772 | |
| 734 | A | A | 0.0000 | |
| 735 | T | A | -1.2049 | |
| 736 | Q | A | -1.3943 | |
| 737 | P | A | -1.0651 | |
| 738 | G | A | -1.0143 | |
| 739 | G | A | -1.0404 | |
| 740 | S | A | -0.9877 | |
| 741 | G | A | -1.0324 | |
| 742 | R | A | -0.9916 | |
| 743 | V | A | 0.9738 | |
| 744 | I | A | 0.6822 | |
| 745 | S | A | 0.0192 |
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, -0.849 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_0 | -0.849 | View | CSV | PDB |
| model_6 | -0.8524 | View | CSV | PDB |
| model_1 | -0.8555 | View | CSV | PDB |
| model_9 | -0.8593 | View | CSV | PDB |
| model_7 | -0.8969 | View | CSV | PDB |
| CABS_average | -0.904 | View | CSV | PDB |
| model_2 | -0.9041 | View | CSV | PDB |
| model_5 | -0.9248 | View | CSV | PDB |
| model_4 | -0.9283 | View | CSV | PDB |
| model_11 | -0.9372 | View | CSV | PDB |
| model_3 | -0.9413 | View | CSV | PDB |
| model_10 | -0.9479 | View | CSV | PDB |
| model_8 | -0.9507 | View | CSV | PDB |
| input | -1.1196 | 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