Project name: C40_A2_EF_DIRECT
Status: done
Started: 2026-07-21 10:59:43
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQDATQKPNTAKHPALEATQPGVRLDDCGLTEARCKDISSALRVDATQKPNTAKHPALEATQPGELNLRSNELGDVGVHCVLQGLQDATQKPNTAKHPALEATQPGKLSLQNCCLTGAGCGVLSSTLRTDATQKPNTAKHPALEATQPGELHLSDNLLGDAGLQLLCEGLLDATQKPNTAKHPALEATQPGKLQLEYCSLSAASCEPLASVLRADATQKPNTAKHPALEATQPGELTVSNNDINEAGVRVLCQGLKDDATQKPNTAKHPALEATQPGALKLESCGVTSDNCRDLCGIVASDATQKPNTAKHPALEATQPGELALGSNKLGDVGMAELCPGLLDATQKPNTAKHPALEATQPGTLWIWECGITAKGCGDLCRVLRADATQKPNTAKHPALEATQPGELSLAGNELGDEGARLLCETLLDATQKPNTAKHPALEATQPGSLWVKSCSFTAACCSHFSSVLAQDATQKPNTAKHPALEATQPGELQISNNRLEDAGVRELCQGLGDATQKPNTAKHPALEATQPGVLWLADCDVSDSSCSSLAATLLADATQKPNTAKHPALEATQPGELDLSNNCLGDAGILQLVESVRDATQKPNTAKHPALEATQPGQLVLYDIYWSEEMEDRLQALEKDDATQKPNTAKHPALEATQPGRVIS
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 (00:14:41)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:31:06)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:31:12)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:31:17)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:31:23)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:31:29)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:31:34)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:31:40)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:31:45)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:31:51)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:31:56)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:32:02)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:32:09)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:32:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:32:30)
[INFO] Main: Simulation completed successfully. (02:32:36)
|
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
- -4.4779
- Maximal score value
- 1.6418
- Average score
- -0.7648
- Total score value
- -526.981
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 | 0.5412 | |
| 2 | L | A | 1.5725 | |
| 3 | D | A | 0.6952 | |
| 4 | I | A | 1.6418 | |
| 5 | Q | A | 0.0512 | |
| 6 | S | A | -0.2990 | |
| 7 | L | A | -0.4782 | |
| 8 | D | A | -2.1426 | |
| 9 | I | A | -1.9001 | |
| 10 | Q | A | -2.8581 | |
| 11 | C | A | -2.7407 | |
| 12 | E | A | -3.1878 | |
| 13 | E | A | -3.0353 | |
| 14 | L | A | -1.6500 | |
| 15 | S | A | -1.6821 | |
| 16 | D | A | -2.4526 | |
| 17 | A | A | -1.8089 | |
| 18 | R | A | -2.7348 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7229 | |
| 21 | E | A | -2.4625 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -1.0439 | |
| 24 | P | A | -1.3307 | |
| 25 | L | A | -0.2776 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -2.1433 | |
| 28 | D | A | -2.2838 | |
| 29 | A | A | -1.2255 | |
| 30 | T | A | 0.0000 | |
| 31 | Q | A | -2.4534 | |
| 32 | K | A | -1.2337 | |
| 33 | P | A | -0.5447 | |
| 34 | N | A | 0.0000 | |
| 35 | T | A | -0.2074 | |
| 36 | A | A | -0.4326 | |
| 37 | K | A | -1.2562 | |
| 38 | H | A | -1.3799 | |
| 39 | P | A | -0.7986 | |
| 40 | A | A | -0.3737 | |
| 41 | L | A | -0.3367 | |
| 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 | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.8541 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.7603 | |
| 52 | D | A | -2.8375 | |
| 53 | C | A | -1.8841 | |
| 54 | G | A | -1.5654 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -0.8299 | |
| 57 | E | A | -1.1678 | |
| 58 | A | A | -1.3353 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -2.1159 | |
| 62 | D | A | -1.7851 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.1727 | |
| 66 | A | A | -0.6737 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -1.9570 | |
| 69 | V | A | -0.1777 | |
| 70 | D | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | T | A | -0.7616 | |
| 73 | Q | A | -1.2667 | |
| 74 | K | A | 0.0000 | |
| 75 | P | A | -0.8104 | |
| 76 | N | A | 0.0000 | |
| 77 | T | A | -0.8280 | |
| 78 | A | A | -1.1103 | |
| 79 | K | A | -2.3044 | |
| 80 | H | A | -1.4478 | |
| 81 | P | A | -0.8684 | |
| 82 | A | A | -0.6618 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.9737 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | -0.1730 | |
| 87 | Q | A | 0.0000 | |
| 88 | P | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | E | A | -0.8294 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.3461 | |
| 95 | S | A | 0.0000 | |
| 96 | N | A | -1.3598 | |
| 97 | E | A | -1.3380 | |
| 98 | L | A | 0.5544 | |
| 99 | G | A | -0.1935 | |
| 100 | D | A | -0.1663 | |
| 101 | V | A | 0.9714 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.6732 | |
| 105 | C | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -2.0569 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.7873 | |
| 112 | D | A | -2.1146 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | Q | A | -2.2050 | |
| 116 | K | A | -1.5568 | |
| 117 | P | A | -0.9576 | |
| 118 | N | A | -1.0743 | |
| 119 | T | A | -1.1168 | |
| 120 | A | A | -1.3724 | |
| 121 | K | A | -2.4270 | |
| 122 | H | A | -1.9605 | |
| 123 | P | A | -1.2710 | |
| 124 | A | A | -0.8989 | |
| 125 | L | A | 0.0000 | |
| 126 | E | A | -0.9937 | |
| 127 | A | A | 0.0000 | |
| 128 | T | A | -0.2328 | |
| 129 | Q | A | 0.0000 | |
| 130 | P | A | 0.0000 | |
| 131 | G | A | -0.7129 | |
| 132 | K | A | -1.3839 | |
| 133 | L | A | -0.5330 | |
| 134 | S | A | -0.5231 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -0.9890 | |
| 137 | N | A | -0.9437 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.1982 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.0438 | |
| 142 | G | A | -0.3585 | |
| 143 | A | A | -0.3075 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.4447 | |
| 147 | V | A | 0.0000 | |
| 148 | L | A | -0.2585 | |
| 149 | S | A | -0.5111 | |
| 150 | S | A | -0.8042 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | -0.9120 | |
| 153 | R | A | -2.0096 | |
| 154 | T | A | -1.2108 | |
| 155 | D | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | T | A | -0.9878 | |
| 158 | Q | A | -0.9536 | |
| 159 | K | A | 0.0000 | |
| 160 | P | A | -0.6078 | |
| 161 | N | A | 0.0000 | |
| 162 | T | A | -0.6374 | |
| 163 | A | A | 0.0000 | |
| 164 | K | A | -2.3486 | |
| 165 | H | A | -1.8716 | |
| 166 | P | A | -1.1988 | |
| 167 | A | A | -0.8183 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -0.8010 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -0.4850 | |
| 172 | Q | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | G | A | -0.9901 | |
| 175 | E | A | -1.3144 | |
| 176 | L | A | -0.6930 | |
| 177 | H | A | -0.7524 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | -0.5259 | |
| 180 | D | A | -0.7295 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.2024 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | -0.0198 | |
| 185 | D | A | -0.6401 | |
| 186 | A | A | -0.3028 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -0.7987 | |
| 190 | L | A | 0.0952 | |
| 191 | L | A | -0.1726 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.0198 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | -0.4570 | |
| 196 | L | A | -0.9302 | |
| 197 | D | A | -1.5070 | |
| 198 | A | A | -1.4218 | |
| 199 | T | A | 0.0000 | |
| 200 | Q | A | -1.6058 | |
| 201 | K | A | -2.2139 | |
| 202 | P | A | 0.0000 | |
| 203 | N | A | -1.4212 | |
| 204 | T | A | -0.7668 | |
| 205 | A | A | -0.7496 | |
| 206 | K | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | P | A | -0.9911 | |
| 209 | A | A | -0.4736 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -1.3999 | |
| 212 | A | A | 0.0000 | |
| 213 | T | A | -0.6869 | |
| 214 | Q | A | 0.0000 | |
| 215 | P | A | 0.0000 | |
| 216 | G | A | -1.2510 | |
| 217 | K | A | -1.8462 | |
| 218 | L | A | -0.9083 | |
| 219 | Q | A | -0.9806 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.4102 | |
| 222 | Y | A | 0.3806 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.5791 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.3653 | |
| 227 | A | A | -1.1712 | |
| 228 | A | A | -0.7258 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.9914 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | -1.5588 | |
| 235 | S | A | -1.4688 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -2.4806 | |
| 239 | A | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | T | A | -1.2031 | |
| 243 | Q | A | 0.0000 | |
| 244 | K | A | -1.1168 | |
| 245 | P | A | -1.1363 | |
| 246 | N | A | -1.5796 | |
| 247 | T | A | -1.1690 | |
| 248 | A | A | -1.1674 | |
| 249 | K | A | -1.7044 | |
| 250 | H | A | 0.0000 | |
| 251 | P | A | -0.9419 | |
| 252 | A | A | -0.8201 | |
| 253 | L | A | 0.0000 | |
| 254 | E | A | -1.0437 | |
| 255 | A | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | Q | A | -0.8380 | |
| 258 | P | A | 0.0000 | |
| 259 | G | A | -0.9502 | |
| 260 | E | A | -1.3656 | |
| 261 | L | A | -0.7730 | |
| 262 | T | A | -1.0272 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -1.6543 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.4588 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -1.9194 | |
| 270 | E | A | -2.5256 | |
| 271 | A | A | -1.3148 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -1.7020 | |
| 275 | V | A | -1.2300 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.9006 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -2.1019 | |
| 282 | D | A | -2.5839 | |
| 283 | D | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | T | A | -1.4825 | |
| 286 | Q | A | -1.9794 | |
| 287 | K | A | 0.0000 | |
| 288 | P | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | A | A | -0.9313 | |
| 292 | K | A | -1.3607 | |
| 293 | H | A | -1.5488 | |
| 294 | P | A | -1.0102 | |
| 295 | A | A | -0.8082 | |
| 296 | L | A | -0.9685 | |
| 297 | E | A | -1.0784 | |
| 298 | A | A | 0.0000 | |
| 299 | T | A | 0.0000 | |
| 300 | Q | A | -0.5858 | |
| 301 | P | A | 0.0000 | |
| 302 | G | A | -0.6201 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -1.2043 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.7121 | |
| 308 | S | A | -1.7424 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.7285 | |
| 311 | V | A | -1.6011 | |
| 312 | T | A | -1.2852 | |
| 313 | S | A | -1.0362 | |
| 314 | D | A | -2.1971 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.3464 | |
| 318 | D | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -1.1572 | |
| 321 | G | A | -1.1442 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | -1.0374 | |
| 325 | S | A | -1.0715 | |
| 326 | D | A | -0.9833 | |
| 327 | A | A | 0.0000 | |
| 328 | T | A | -1.1121 | |
| 329 | Q | A | -1.4693 | |
| 330 | K | A | 0.0000 | |
| 331 | P | A | -0.8060 | |
| 332 | N | A | -0.8824 | |
| 333 | T | A | -0.8209 | |
| 334 | A | A | -0.9697 | |
| 335 | K | A | -1.6130 | |
| 336 | H | A | -1.7819 | |
| 337 | P | A | -1.2276 | |
| 338 | A | A | -0.8794 | |
| 339 | L | A | 0.0000 | |
| 340 | E | A | -1.7706 | |
| 341 | A | A | 0.0000 | |
| 342 | T | A | -0.6075 | |
| 343 | Q | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | G | A | -0.7344 | |
| 346 | E | A | -1.1987 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | -0.5327 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | -1.1507 | |
| 351 | S | A | 0.0000 | |
| 352 | N | A | -2.5244 | |
| 353 | K | A | -3.2193 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.7338 | |
| 356 | D | A | -0.9532 | |
| 357 | V | A | 0.7049 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.4193 | |
| 361 | E | A | -1.0216 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -1.0589 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | -1.4769 | |
| 368 | D | A | -2.1635 | |
| 369 | A | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | Q | A | -1.9226 | |
| 372 | K | A | -2.4285 | |
| 373 | P | A | -1.6812 | |
| 374 | N | A | -1.0110 | |
| 375 | T | A | -0.6271 | |
| 376 | A | A | -0.5926 | |
| 377 | K | A | 0.0000 | |
| 378 | H | A | -1.3022 | |
| 379 | P | A | -1.0034 | |
| 380 | A | A | -0.8528 | |
| 381 | L | A | 0.0000 | |
| 382 | E | A | -1.6414 | |
| 383 | A | A | 0.0000 | |
| 384 | T | A | -0.7241 | |
| 385 | Q | A | 0.0000 | |
| 386 | P | A | 0.0000 | |
| 387 | G | A | -0.6867 | |
| 388 | T | A | -0.6017 | |
| 389 | L | A | 0.0000 | |
| 390 | W | A | -0.1124 | |
| 391 | I | A | 0.0000 | |
| 392 | W | A | 0.0000 | |
| 393 | E | A | -2.3729 | |
| 394 | C | A | 0.0000 | |
| 395 | G | A | -2.4017 | |
| 396 | I | A | 0.0000 | |
| 397 | T | A | -1.5546 | |
| 398 | A | A | -1.6276 | |
| 399 | K | A | -2.3559 | |
| 400 | G | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | G | A | -1.8116 | |
| 403 | D | A | -1.7326 | |
| 404 | L | A | -1.0255 | |
| 405 | C | A | 0.0000 | |
| 406 | R | A | -2.6597 | |
| 407 | V | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | -2.6409 | |
| 410 | A | A | -1.8639 | |
| 411 | D | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | T | A | -1.2819 | |
| 414 | Q | A | -1.1683 | |
| 415 | K | A | -0.6308 | |
| 416 | P | A | 0.0000 | |
| 417 | N | A | 0.0000 | |
| 418 | T | A | 0.0000 | |
| 419 | A | A | -1.4285 | |
| 420 | K | A | -2.4624 | |
| 421 | H | A | 0.0000 | |
| 422 | P | A | -1.0377 | |
| 423 | A | A | -0.5681 | |
| 424 | L | A | 0.0000 | |
| 425 | E | A | -1.8342 | |
| 426 | A | A | 0.0000 | |
| 427 | T | A | -0.6211 | |
| 428 | Q | A | 0.0000 | |
| 429 | P | A | 0.0000 | |
| 430 | G | A | -0.6033 | |
| 431 | E | A | -0.7235 | |
| 432 | L | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | A | A | -1.1154 | |
| 436 | G | A | 0.0000 | |
| 437 | N | A | -2.7579 | |
| 438 | E | A | -2.9724 | |
| 439 | L | A | 0.0000 | |
| 440 | G | A | -1.8550 | |
| 441 | D | A | -1.8873 | |
| 442 | E | A | -2.4576 | |
| 443 | G | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -1.5063 | |
| 446 | L | A | -1.2557 | |
| 447 | L | A | 0.0000 | |
| 448 | C | A | 0.0000 | |
| 449 | E | A | -1.3659 | |
| 450 | T | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | -1.0587 | |
| 453 | D | A | -1.6889 | |
| 454 | A | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | Q | A | -2.8011 | |
| 457 | K | A | -2.8473 | |
| 458 | P | A | 0.0000 | |
| 459 | N | A | 0.0000 | |
| 460 | T | A | -0.9710 | |
| 461 | A | A | -1.4869 | |
| 462 | K | A | -2.4455 | |
| 463 | H | A | 0.0000 | |
| 464 | P | A | -1.0688 | |
| 465 | A | A | -0.7622 | |
| 466 | L | A | 0.0000 | |
| 467 | E | A | -1.2853 | |
| 468 | A | A | 0.0000 | |
| 469 | T | A | -0.5861 | |
| 470 | Q | A | 0.0000 | |
| 471 | P | A | 0.0000 | |
| 472 | G | A | -0.4277 | |
| 473 | S | A | -0.3889 | |
| 474 | L | A | 0.0000 | |
| 475 | W | A | 0.0157 | |
| 476 | V | A | 0.0000 | |
| 477 | K | A | -0.8878 | |
| 478 | S | A | -1.6985 | |
| 479 | C | A | 0.0000 | |
| 480 | S | A | 0.0000 | |
| 481 | F | A | 0.0000 | |
| 482 | T | A | -1.0359 | |
| 483 | A | A | -1.3755 | |
| 484 | A | A | -0.8010 | |
| 485 | C | A | 0.0000 | |
| 486 | C | A | -0.7769 | |
| 487 | S | A | -0.5572 | |
| 488 | H | A | -0.7151 | |
| 489 | F | A | 0.0000 | |
| 490 | S | A | -0.9683 | |
| 491 | S | A | -0.6806 | |
| 492 | V | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | A | A | -0.9969 | |
| 495 | Q | A | -1.0512 | |
| 496 | D | A | -0.7900 | |
| 497 | A | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | Q | A | -2.2168 | |
| 500 | K | A | -2.9639 | |
| 501 | P | A | -2.1475 | |
| 502 | N | A | -1.6114 | |
| 503 | T | A | -0.7480 | |
| 504 | A | A | -0.6360 | |
| 505 | K | A | -0.8418 | |
| 506 | H | A | 0.0000 | |
| 507 | P | A | -0.7440 | |
| 508 | A | A | -0.3286 | |
| 509 | L | A | 0.0000 | |
| 510 | E | A | -1.6190 | |
| 511 | A | A | 0.0000 | |
| 512 | T | A | -0.5932 | |
| 513 | Q | A | 0.0000 | |
| 514 | P | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | E | A | -0.5533 | |
| 517 | L | A | 0.0000 | |
| 518 | Q | A | -0.0325 | |
| 519 | I | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | N | A | -1.9564 | |
| 522 | N | A | 0.0000 | |
| 523 | R | A | -2.9300 | |
| 524 | L | A | 0.0000 | |
| 525 | E | A | -3.1096 | |
| 526 | D | A | -3.4646 | |
| 527 | A | A | -1.9185 | |
| 528 | G | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | R | A | -2.8463 | |
| 531 | E | A | -2.4156 | |
| 532 | L | A | 0.0000 | |
| 533 | C | A | 0.0000 | |
| 534 | Q | A | -2.1277 | |
| 535 | G | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | G | A | -1.1611 | |
| 538 | D | A | -1.4933 | |
| 539 | A | A | 0.0000 | |
| 540 | T | A | 0.0000 | |
| 541 | Q | A | -1.9629 | |
| 542 | K | A | 0.0000 | |
| 543 | P | A | -1.2953 | |
| 544 | N | A | -1.6971 | |
| 545 | T | A | 0.0000 | |
| 546 | A | A | -0.8096 | |
| 547 | K | A | 0.0000 | |
| 548 | H | A | 0.0000 | |
| 549 | P | A | -0.9436 | |
| 550 | A | A | -0.6335 | |
| 551 | L | A | -0.7160 | |
| 552 | E | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | T | A | -0.7362 | |
| 555 | Q | A | -0.7746 | |
| 556 | P | A | -0.6104 | |
| 557 | G | A | -0.5062 | |
| 558 | V | A | -0.1568 | |
| 559 | L | A | 0.0000 | |
| 560 | W | A | -0.0538 | |
| 561 | L | A | 0.0000 | |
| 562 | A | A | 0.0000 | |
| 563 | D | A | -1.8734 | |
| 564 | C | A | -1.6848 | |
| 565 | D | A | -2.3537 | |
| 566 | V | A | 0.0000 | |
| 567 | S | A | -1.5370 | |
| 568 | D | A | -1.2718 | |
| 569 | S | A | -1.2268 | |
| 570 | S | A | 0.0000 | |
| 571 | C | A | 0.0000 | |
| 572 | S | A | -0.4890 | |
| 573 | S | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | A | A | 0.2546 | |
| 577 | T | A | 0.0169 | |
| 578 | L | A | 0.6729 | |
| 579 | L | A | 0.9548 | |
| 580 | A | A | 0.1353 | |
| 581 | D | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | T | A | -0.6518 | |
| 584 | Q | A | 0.0000 | |
| 585 | K | A | -2.0760 | |
| 586 | P | A | -1.4554 | |
| 587 | N | A | 0.0000 | |
| 588 | T | A | -1.0615 | |
| 589 | A | A | -0.9468 | |
| 590 | K | A | -1.9047 | |
| 591 | H | A | -1.4130 | |
| 592 | P | A | -1.0542 | |
| 593 | A | A | -0.7390 | |
| 594 | L | A | 0.0000 | |
| 595 | E | A | -1.6744 | |
| 596 | A | A | 0.0000 | |
| 597 | T | A | -0.7800 | |
| 598 | Q | A | 0.0000 | |
| 599 | P | A | -0.4032 | |
| 600 | G | A | -0.6989 | |
| 601 | E | A | -0.7135 | |
| 602 | L | A | -0.1094 | |
| 603 | D | A | -0.1667 | |
| 604 | L | A | 0.0000 | |
| 605 | S | A | -0.8027 | |
| 606 | N | A | 0.0000 | |
| 607 | N | A | -1.1774 | |
| 608 | C | A | -0.1867 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -0.0312 | |
| 611 | D | A | -0.1144 | |
| 612 | A | A | 0.2091 | |
| 613 | G | A | 0.0000 | |
| 614 | I | A | 0.0000 | |
| 615 | L | A | 0.3428 | |
| 616 | Q | A | -0.3109 | |
| 617 | L | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | E | A | -1.2346 | |
| 620 | S | A | 0.0000 | |
| 621 | V | A | -0.6691 | |
| 622 | R | A | -1.9834 | |
| 623 | D | A | -1.9384 | |
| 624 | A | A | 0.0000 | |
| 625 | T | A | -2.3699 | |
| 626 | Q | A | -3.0093 | |
| 627 | K | A | -2.7034 | |
| 628 | P | A | -2.1342 | |
| 629 | N | A | -1.2694 | |
| 630 | T | A | -1.0590 | |
| 631 | A | A | -0.8494 | |
| 632 | K | A | 0.0000 | |
| 633 | H | A | -1.2004 | |
| 634 | P | A | -0.6105 | |
| 635 | A | A | -0.4871 | |
| 636 | L | A | -0.7564 | |
| 637 | E | A | -1.3432 | |
| 638 | A | A | 0.0000 | |
| 639 | T | A | 0.0000 | |
| 640 | Q | A | 0.0000 | |
| 641 | P | A | -0.8594 | |
| 642 | G | A | -1.2254 | |
| 643 | Q | A | -1.4456 | |
| 644 | L | A | 0.0000 | |
| 645 | V | A | 0.0823 | |
| 646 | L | A | 0.0000 | |
| 647 | Y | A | 0.0386 | |
| 648 | D | A | -1.0859 | |
| 649 | I | A | 0.1665 | |
| 650 | Y | A | 1.0048 | |
| 651 | W | A | -0.0202 | |
| 652 | S | A | -1.7129 | |
| 653 | E | A | -3.8262 | |
| 654 | E | A | -4.1771 | |
| 655 | M | A | 0.0000 | |
| 656 | E | A | -4.3031 | |
| 657 | D | A | -4.4779 | |
| 658 | R | A | -3.6958 | |
| 659 | L | A | -2.5031 | |
| 660 | Q | A | -2.9315 | |
| 661 | A | A | -2.6127 | |
| 662 | L | A | 0.0000 | |
| 663 | E | A | -2.8851 | |
| 664 | K | A | -3.3000 | |
| 665 | D | A | -3.1534 | |
| 666 | D | A | 0.0000 | |
| 667 | A | A | -2.2431 | |
| 668 | T | A | -2.1353 | |
| 669 | Q | A | -3.0146 | |
| 670 | K | A | -3.2265 | |
| 671 | P | A | 0.0000 | |
| 672 | N | A | 0.0000 | |
| 673 | T | A | -1.0232 | |
| 674 | A | A | -0.2995 | |
| 675 | K | A | -0.6250 | |
| 676 | H | A | -0.8830 | |
| 677 | P | A | -0.5516 | |
| 678 | A | A | -0.3559 | |
| 679 | L | A | -0.1756 | |
| 680 | E | A | 0.0000 | |
| 681 | A | A | -0.3448 | |
| 682 | T | A | -1.1531 | |
| 683 | Q | A | -2.0305 | |
| 684 | P | A | -1.9296 | |
| 685 | G | A | -2.2058 | |
| 686 | R | A | -2.2534 | |
| 687 | V | A | 0.0000 | |
| 688 | I | A | -0.0220 | |
| 689 | S | A | 0.0000 |
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, -0.7648 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 | -0.7648 | View | CSV | PDB |
| model_3 | -0.7742 | View | CSV | PDB |
| model_1 | -0.7998 | View | CSV | PDB |
| model_0 | -0.8064 | View | CSV | PDB |
| model_5 | -0.8148 | View | CSV | PDB |
| CABS_average | -0.8201 | View | CSV | PDB |
| model_4 | -0.8259 | View | CSV | PDB |
| model_7 | -0.83 | View | CSV | PDB |
| model_9 | -0.8366 | View | CSV | PDB |
| model_8 | -0.8407 | View | CSV | PDB |
| model_11 | -0.8412 | View | CSV | PDB |
| model_10 | -0.8516 | View | CSV | PDB |
| model_6 | -0.8554 | View | CSV | PDB |
| input | -1.0202 | 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