Project name: C12_A10_EF_A4_EF_GSG
Status: done
Started: 2026-07-21 11:04:03
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGGSNTKPNEAPHPGFTGSGVRLDDCGLTEARCKDISSALRVGSGGSNTKPNEAPHPGFTGSGELNLRSNELGDVGVHCVLQGLQGSGGSNTKPNEAPHPGFTGSGKLSLQNCCLTGAGCGVLSSTLRTGSGGSNTKPNEAPHPGFTGSGELHLSDNLLGDAGLQLLCEGLLGSGGSNTKPNEAPHPGFTGSGKLQLEYCSLSAASCEPLASVLRAGSGGSNTKPNEAPHPGFTGSGELTVSNNDINEAGVRVLCQGLKDGSGGSNTKPNEAPHPGFTGSGALKLESCGVTSDNCRDLCGIVASGSGGSNTKPNEAPHPGFTGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
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 (00:13:11)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:52:33)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:52:41)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:52:49)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:52:57)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:53:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:53:11)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:53:19)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:53:27)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:53:34)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:53:41)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:53:48)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:53:57)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:54:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:54:22)
[INFO] Main: Simulation completed successfully. (02:54:30)
|
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
- -3.423
- Maximal score value
- 2.9524
- Average score
- -0.6975
- Total score value
- -525.197
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 | 0.5207 | |
| 2 | L | A | 1.6606 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 2.0100 | |
| 5 | Q | A | 0.6604 | |
| 6 | S | A | -0.2982 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.4052 | |
| 9 | I | A | -2.0608 | |
| 10 | Q | A | -2.2357 | |
| 11 | C | A | -1.4467 | |
| 12 | E | A | -2.7386 | |
| 13 | E | A | -3.0109 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0353 | |
| 16 | D | A | -2.7791 | |
| 17 | A | A | -1.8000 | |
| 18 | R | A | -2.7597 | |
| 19 | W | A | -1.7487 | |
| 20 | A | A | -1.3435 | |
| 21 | E | A | -2.0481 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.0784 | |
| 24 | P | A | -0.0459 | |
| 25 | L | A | 0.6950 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.4668 | |
| 28 | G | A | 0.0939 | |
| 29 | S | A | -0.2582 | |
| 30 | G | A | -0.0185 | |
| 31 | G | A | -0.4906 | |
| 32 | S | A | -0.8482 | |
| 33 | N | A | 0.0000 | |
| 34 | T | A | -1.1137 | |
| 35 | K | A | -1.8579 | |
| 36 | P | A | -1.5275 | |
| 37 | N | A | -2.3009 | |
| 38 | E | A | 0.0000 | |
| 39 | A | A | -1.7206 | |
| 40 | P | A | 0.0000 | |
| 41 | H | A | -0.9486 | |
| 42 | P | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | G | A | 0.7442 | |
| 47 | S | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.3014 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.6166 | |
| 53 | D | A | -3.1058 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -2.2004 | |
| 56 | L | A | -1.9600 | |
| 57 | T | A | -1.7972 | |
| 58 | E | A | -2.1544 | |
| 59 | A | A | -1.6158 | |
| 60 | R | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.1560 | |
| 63 | D | A | -1.5346 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.2711 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -1.9054 | |
| 70 | V | A | -0.7355 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | G | A | -0.7467 | |
| 74 | G | A | -0.8863 | |
| 75 | S | A | -1.4788 | |
| 76 | N | A | -2.0275 | |
| 77 | T | A | -2.3200 | |
| 78 | K | A | -3.0408 | |
| 79 | P | A | -2.4860 | |
| 80 | N | A | -2.6617 | |
| 81 | E | A | -2.7349 | |
| 82 | A | A | -1.4948 | |
| 83 | P | A | -1.3453 | |
| 84 | H | A | -1.2773 | |
| 85 | P | A | -0.8416 | |
| 86 | G | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | T | A | -0.0202 | |
| 89 | G | A | -0.1265 | |
| 90 | S | A | -0.3503 | |
| 91 | G | A | -0.4007 | |
| 92 | E | A | -0.8361 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -2.3366 | |
| 97 | S | A | -2.2706 | |
| 98 | N | A | -2.7597 | |
| 99 | E | A | -2.6989 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.9855 | |
| 102 | D | A | -0.3615 | |
| 103 | V | A | 0.7429 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.5415 | |
| 107 | C | A | -0.8340 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.2892 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -0.5966 | |
| 113 | Q | A | -1.0558 | |
| 114 | G | A | -1.0407 | |
| 115 | S | A | -0.9262 | |
| 116 | G | A | -1.0644 | |
| 117 | G | A | -0.9211 | |
| 118 | S | A | -0.9844 | |
| 119 | N | A | -1.2019 | |
| 120 | T | A | -1.9860 | |
| 121 | K | A | -2.7485 | |
| 122 | P | A | -2.5218 | |
| 123 | N | A | -2.6310 | |
| 124 | E | A | -2.2873 | |
| 125 | A | A | -0.9771 | |
| 126 | P | A | -1.0548 | |
| 127 | H | A | -0.9806 | |
| 128 | P | A | -0.7455 | |
| 129 | G | A | -0.3701 | |
| 130 | F | A | 0.0055 | |
| 131 | T | A | -0.2259 | |
| 132 | G | A | -0.3942 | |
| 133 | S | A | -0.6131 | |
| 134 | G | A | -0.6004 | |
| 135 | K | A | -0.8142 | |
| 136 | L | A | -0.3984 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.5630 | |
| 140 | N | A | -1.6565 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | -0.4184 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.0516 | |
| 145 | G | A | -0.3533 | |
| 146 | A | A | -0.1613 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.3395 | |
| 150 | V | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | S | A | -0.6214 | |
| 154 | T | A | -0.5499 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -0.9037 | |
| 157 | T | A | -0.5550 | |
| 158 | G | A | -0.5720 | |
| 159 | S | A | 0.0000 | |
| 160 | G | A | -1.0006 | |
| 161 | G | A | -1.2521 | |
| 162 | S | A | -1.8474 | |
| 163 | N | A | -2.2890 | |
| 164 | T | A | -2.3092 | |
| 165 | K | A | -3.0589 | |
| 166 | P | A | -2.5142 | |
| 167 | N | A | -2.7339 | |
| 168 | E | A | -3.3960 | |
| 169 | A | A | 0.0000 | |
| 170 | P | A | -1.1637 | |
| 171 | H | A | 0.0000 | |
| 172 | P | A | -0.4250 | |
| 173 | G | A | 0.0000 | |
| 174 | F | A | -0.0960 | |
| 175 | T | A | -0.1212 | |
| 176 | G | A | -0.3765 | |
| 177 | S | A | -0.6343 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -1.0950 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.7116 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -1.0462 | |
| 185 | N | A | 0.0000 | |
| 186 | L | A | 0.9684 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.1599 | |
| 189 | D | A | -0.5822 | |
| 190 | A | A | -0.3327 | |
| 191 | G | A | -0.3913 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -0.9112 | |
| 194 | L | A | -0.0288 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | -0.4355 | |
| 197 | E | A | -0.7522 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | 0.2334 | |
| 201 | G | A | -0.2298 | |
| 202 | S | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | S | A | -0.8093 | |
| 206 | N | A | -1.8671 | |
| 207 | T | A | -1.6803 | |
| 208 | K | A | -2.2117 | |
| 209 | P | A | -1.8671 | |
| 210 | N | A | -2.5903 | |
| 211 | E | A | -2.7393 | |
| 212 | A | A | 0.0000 | |
| 213 | P | A | -1.1396 | |
| 214 | H | A | 0.0000 | |
| 215 | P | A | -0.1702 | |
| 216 | G | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | T | A | -0.2905 | |
| 219 | G | A | -0.3736 | |
| 220 | S | A | -0.4981 | |
| 221 | G | A | 0.0000 | |
| 222 | K | A | -0.8334 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -0.7665 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.7986 | |
| 227 | Y | A | -0.0895 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -0.8813 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.6889 | |
| 232 | A | A | -1.6194 | |
| 233 | A | A | -0.9058 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -1.9692 | |
| 237 | P | A | -0.9962 | |
| 238 | L | A | -0.6581 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -0.9914 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -1.7230 | |
| 244 | A | A | -0.6284 | |
| 245 | G | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | G | A | -0.9403 | |
| 249 | S | A | 0.0000 | |
| 250 | N | A | -1.3411 | |
| 251 | T | A | -1.4564 | |
| 252 | K | A | -1.7553 | |
| 253 | P | A | -2.0626 | |
| 254 | N | A | -2.0530 | |
| 255 | E | A | -1.4227 | |
| 256 | A | A | -0.5573 | |
| 257 | P | A | -0.7363 | |
| 258 | H | A | 0.0000 | |
| 259 | P | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | T | A | -0.6267 | |
| 263 | G | A | -0.8666 | |
| 264 | S | A | -0.5984 | |
| 265 | G | A | 0.0000 | |
| 266 | E | A | -0.8501 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | 0.0000 | |
| 272 | N | A | -2.4280 | |
| 273 | D | A | -3.0260 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -3.0954 | |
| 276 | E | A | -3.4133 | |
| 277 | A | A | -2.0852 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -3.1780 | |
| 281 | V | A | -1.7421 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -1.8328 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -1.5217 | |
| 288 | D | A | -1.4067 | |
| 289 | G | A | -1.2846 | |
| 290 | S | A | -0.9130 | |
| 291 | G | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | S | A | -0.9133 | |
| 294 | N | A | 0.0000 | |
| 295 | T | A | 0.0000 | |
| 296 | K | A | -3.1275 | |
| 297 | P | A | -2.8975 | |
| 298 | N | A | -3.0683 | |
| 299 | E | A | -3.2009 | |
| 300 | A | A | -1.8850 | |
| 301 | P | A | -1.1978 | |
| 302 | H | A | 0.0000 | |
| 303 | P | A | -0.5639 | |
| 304 | G | A | 0.0000 | |
| 305 | F | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | G | A | -0.9779 | |
| 308 | S | A | 0.0000 | |
| 309 | G | A | -0.5803 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -1.1232 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -2.0354 | |
| 315 | S | A | -1.6989 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -2.2027 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -2.2213 | |
| 320 | S | A | -1.8510 | |
| 321 | D | A | -3.1179 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.8131 | |
| 325 | D | A | -2.2545 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -0.9977 | |
| 328 | G | A | -0.9734 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | -0.3628 | |
| 331 | A | A | -0.2733 | |
| 332 | S | A | -0.4142 | |
| 333 | G | A | -0.5734 | |
| 334 | S | A | 0.0000 | |
| 335 | G | A | -1.0272 | |
| 336 | G | A | -1.2533 | |
| 337 | S | A | -1.3050 | |
| 338 | N | A | -2.1630 | |
| 339 | T | A | -1.8037 | |
| 340 | K | A | 0.0000 | |
| 341 | P | A | -1.9246 | |
| 342 | N | A | -2.6733 | |
| 343 | E | A | -1.6734 | |
| 344 | A | A | -0.6931 | |
| 345 | P | A | -0.7591 | |
| 346 | H | A | -0.9661 | |
| 347 | P | A | -0.9019 | |
| 348 | G | A | -1.1723 | |
| 349 | F | A | 0.0000 | |
| 350 | T | A | -1.1790 | |
| 351 | G | A | -1.0989 | |
| 352 | S | A | -0.6829 | |
| 353 | G | A | -0.5162 | |
| 354 | E | A | -0.6167 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | -0.3281 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -0.9236 | |
| 360 | N | A | 0.0000 | |
| 361 | K | A | -1.8220 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | D | A | -1.0525 | |
| 365 | V | A | 0.2672 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.5591 | |
| 369 | E | A | -1.2838 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.7481 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.3628 | |
| 376 | G | A | -0.2835 | |
| 377 | S | A | 0.0000 | |
| 378 | G | A | -1.0783 | |
| 379 | S | A | -1.3422 | |
| 380 | E | A | -2.2123 | |
| 381 | R | A | -2.1737 | |
| 382 | S | A | -1.3025 | |
| 383 | K | A | -1.4718 | |
| 384 | P | A | -0.4703 | |
| 385 | N | A | 0.0000 | |
| 386 | N | A | -0.5965 | |
| 387 | P | A | -0.4482 | |
| 388 | A | A | -0.3321 | |
| 389 | Q | A | 0.0000 | |
| 390 | Y | A | 0.9025 | |
| 391 | P | A | 1.0335 | |
| 392 | A | A | 1.1942 | |
| 393 | F | A | 2.6115 | |
| 394 | S | A | 0.0000 | |
| 395 | V | A | 0.5422 | |
| 396 | T | A | 0.0000 | |
| 397 | N | A | -1.3994 | |
| 398 | P | A | 0.0000 | |
| 399 | G | A | -1.2346 | |
| 400 | G | A | -0.9811 | |
| 401 | S | A | -0.6831 | |
| 402 | G | A | 0.0000 | |
| 403 | T | A | -0.2839 | |
| 404 | L | A | 0.0000 | |
| 405 | W | A | 0.3814 | |
| 406 | I | A | 0.0000 | |
| 407 | W | A | 0.1832 | |
| 408 | E | A | -1.2746 | |
| 409 | C | A | 0.0000 | |
| 410 | G | A | -2.0388 | |
| 411 | I | A | 0.0000 | |
| 412 | T | A | -1.8863 | |
| 413 | A | A | -1.9884 | |
| 414 | K | A | -2.1062 | |
| 415 | G | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | G | A | -1.9018 | |
| 418 | D | A | -1.7901 | |
| 419 | L | A | 0.0000 | |
| 420 | C | A | -1.8045 | |
| 421 | R | A | -2.7096 | |
| 422 | V | A | 0.0000 | |
| 423 | L | A | -1.3956 | |
| 424 | R | A | -2.9674 | |
| 425 | A | A | -1.6589 | |
| 426 | G | A | -1.3160 | |
| 427 | S | A | -1.4686 | |
| 428 | G | A | -1.4222 | |
| 429 | S | A | 0.0000 | |
| 430 | E | A | -2.6157 | |
| 431 | R | A | -1.7094 | |
| 432 | S | A | -1.1166 | |
| 433 | K | A | -1.1353 | |
| 434 | P | A | -1.0539 | |
| 435 | N | A | 0.0000 | |
| 436 | N | A | -1.4342 | |
| 437 | P | A | 0.0000 | |
| 438 | A | A | -0.5693 | |
| 439 | Q | A | -0.9051 | |
| 440 | Y | A | 0.0628 | |
| 441 | P | A | 0.8201 | |
| 442 | A | A | 1.5141 | |
| 443 | F | A | 2.4132 | |
| 444 | S | A | 0.0000 | |
| 445 | V | A | 1.1381 | |
| 446 | T | A | 0.0000 | |
| 447 | N | A | -0.9255 | |
| 448 | P | A | 0.0000 | |
| 449 | G | A | -0.9340 | |
| 450 | G | A | -0.8362 | |
| 451 | S | A | -0.7012 | |
| 452 | G | A | -0.7676 | |
| 453 | E | A | -0.5468 | |
| 454 | L | A | 0.1500 | |
| 455 | S | A | 0.0000 | |
| 456 | L | A | 0.0515 | |
| 457 | A | A | 0.0000 | |
| 458 | G | A | -1.4907 | |
| 459 | N | A | -2.5314 | |
| 460 | E | A | -2.9686 | |
| 461 | L | A | 0.0000 | |
| 462 | G | A | -2.1236 | |
| 463 | D | A | -2.1432 | |
| 464 | E | A | -2.7157 | |
| 465 | G | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | R | A | -2.2583 | |
| 468 | L | A | -1.7457 | |
| 469 | L | A | 0.0000 | |
| 470 | C | A | 0.0000 | |
| 471 | E | A | -2.3873 | |
| 472 | T | A | -1.7708 | |
| 473 | L | A | -0.8870 | |
| 474 | L | A | -0.6646 | |
| 475 | G | A | -1.3890 | |
| 476 | S | A | -1.3072 | |
| 477 | G | A | -1.2809 | |
| 478 | S | A | -1.1276 | |
| 479 | E | A | 0.0000 | |
| 480 | R | A | -0.6084 | |
| 481 | S | A | 0.0000 | |
| 482 | K | A | 0.0000 | |
| 483 | P | A | -1.1535 | |
| 484 | N | A | -1.8277 | |
| 485 | N | A | -1.5494 | |
| 486 | P | A | -1.3123 | |
| 487 | A | A | 0.0000 | |
| 488 | Q | A | -0.1010 | |
| 489 | Y | A | 0.0000 | |
| 490 | P | A | 1.2141 | |
| 491 | A | A | 1.6295 | |
| 492 | F | A | 2.9524 | |
| 493 | S | A | 0.0000 | |
| 494 | V | A | 1.1966 | |
| 495 | T | A | 0.0000 | |
| 496 | N | A | -0.8272 | |
| 497 | P | A | 0.0000 | |
| 498 | G | A | -0.9121 | |
| 499 | G | A | -0.7983 | |
| 500 | S | A | -0.7689 | |
| 501 | G | A | -0.5401 | |
| 502 | S | A | -0.3077 | |
| 503 | L | A | 0.0422 | |
| 504 | W | A | 0.1904 | |
| 505 | V | A | 0.0000 | |
| 506 | K | A | -1.2461 | |
| 507 | S | A | -1.6014 | |
| 508 | C | A | 0.0000 | |
| 509 | S | A | -1.8997 | |
| 510 | F | A | 0.0000 | |
| 511 | T | A | -1.4104 | |
| 512 | A | A | -1.2648 | |
| 513 | A | A | -0.9871 | |
| 514 | C | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | S | A | -1.0409 | |
| 517 | H | A | -1.0312 | |
| 518 | F | A | 0.0000 | |
| 519 | S | A | -1.0960 | |
| 520 | S | A | -0.9172 | |
| 521 | V | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | A | A | -1.0391 | |
| 524 | Q | A | -1.4521 | |
| 525 | G | A | -1.3258 | |
| 526 | S | A | -1.1608 | |
| 527 | G | A | -1.2986 | |
| 528 | S | A | -1.2154 | |
| 529 | E | A | 0.0000 | |
| 530 | R | A | -1.3711 | |
| 531 | S | A | 0.0000 | |
| 532 | K | A | -1.1723 | |
| 533 | P | A | 0.0000 | |
| 534 | N | A | -1.8044 | |
| 535 | N | A | -1.4014 | |
| 536 | P | A | -0.5397 | |
| 537 | A | A | -0.1226 | |
| 538 | Q | A | -0.0450 | |
| 539 | Y | A | 0.9874 | |
| 540 | P | A | 0.6859 | |
| 541 | A | A | 0.0000 | |
| 542 | F | A | 2.1955 | |
| 543 | S | A | 0.0000 | |
| 544 | V | A | 0.9134 | |
| 545 | T | A | 0.0000 | |
| 546 | N | A | -0.6772 | |
| 547 | P | A | 0.0000 | |
| 548 | G | A | -0.8723 | |
| 549 | G | A | -0.9540 | |
| 550 | S | A | -0.7237 | |
| 551 | G | A | -0.6479 | |
| 552 | E | A | -0.3657 | |
| 553 | L | A | 0.0534 | |
| 554 | Q | A | -0.0130 | |
| 555 | I | A | 0.0000 | |
| 556 | S | A | 0.0000 | |
| 557 | N | A | -1.5683 | |
| 558 | N | A | 0.0000 | |
| 559 | R | A | -2.6189 | |
| 560 | L | A | 0.0000 | |
| 561 | E | A | -2.4375 | |
| 562 | D | A | -1.9016 | |
| 563 | A | A | -1.4785 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | R | A | -2.3026 | |
| 567 | E | A | -2.2921 | |
| 568 | L | A | 0.0000 | |
| 569 | C | A | 0.0000 | |
| 570 | Q | A | -2.0122 | |
| 571 | G | A | 0.0000 | |
| 572 | L | A | -0.9266 | |
| 573 | G | A | -0.4894 | |
| 574 | G | A | -1.2420 | |
| 575 | S | A | -1.1704 | |
| 576 | G | A | -1.2048 | |
| 577 | S | A | -1.4701 | |
| 578 | E | A | -2.2215 | |
| 579 | R | A | 0.0000 | |
| 580 | S | A | -1.1401 | |
| 581 | K | A | 0.0000 | |
| 582 | P | A | -0.9427 | |
| 583 | N | A | 0.0000 | |
| 584 | N | A | -1.1618 | |
| 585 | P | A | 0.0000 | |
| 586 | A | A | -0.4753 | |
| 587 | Q | A | -0.6422 | |
| 588 | Y | A | 0.0000 | |
| 589 | P | A | 0.1182 | |
| 590 | A | A | 0.0000 | |
| 591 | F | A | 1.6595 | |
| 592 | S | A | 0.0000 | |
| 593 | V | A | 1.0226 | |
| 594 | T | A | 0.0000 | |
| 595 | N | A | -0.6713 | |
| 596 | P | A | 0.0000 | |
| 597 | G | A | -0.7934 | |
| 598 | G | A | -0.7882 | |
| 599 | S | A | -0.6381 | |
| 600 | G | A | -0.4766 | |
| 601 | V | A | -0.1665 | |
| 602 | L | A | 0.0000 | |
| 603 | W | A | 0.1712 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | 0.0000 | |
| 606 | D | A | -2.0816 | |
| 607 | C | A | 0.0000 | |
| 608 | D | A | -2.2781 | |
| 609 | V | A | 0.0000 | |
| 610 | S | A | -1.3831 | |
| 611 | D | A | -1.5449 | |
| 612 | S | A | -0.9722 | |
| 613 | S | A | 0.0000 | |
| 614 | C | A | 0.0000 | |
| 615 | S | A | -0.5242 | |
| 616 | S | A | -0.6863 | |
| 617 | L | A | 0.0000 | |
| 618 | A | A | 0.1025 | |
| 619 | A | A | 0.5041 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.8489 | |
| 622 | L | A | 1.4923 | |
| 623 | A | A | 0.3776 | |
| 624 | G | A | 0.0239 | |
| 625 | S | A | 0.0443 | |
| 626 | G | A | -0.4288 | |
| 627 | S | A | 0.0000 | |
| 628 | E | A | 0.0000 | |
| 629 | R | A | 0.0000 | |
| 630 | S | A | -1.1157 | |
| 631 | K | A | 0.0000 | |
| 632 | P | A | -0.9860 | |
| 633 | N | A | -1.2775 | |
| 634 | N | A | -0.9618 | |
| 635 | P | A | -0.7306 | |
| 636 | A | A | -0.5711 | |
| 637 | Q | A | -1.0242 | |
| 638 | Y | A | 0.0000 | |
| 639 | P | A | 0.6275 | |
| 640 | A | A | 1.0449 | |
| 641 | F | A | 2.1478 | |
| 642 | S | A | 0.0000 | |
| 643 | V | A | 1.2607 | |
| 644 | T | A | 0.0000 | |
| 645 | N | A | -0.6282 | |
| 646 | P | A | 0.0000 | |
| 647 | G | A | -0.9157 | |
| 648 | G | A | -0.8657 | |
| 649 | S | A | -0.6290 | |
| 650 | G | A | -0.5776 | |
| 651 | E | A | -0.5964 | |
| 652 | L | A | 0.0000 | |
| 653 | D | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | S | A | 0.0000 | |
| 656 | N | A | -2.2870 | |
| 657 | N | A | -2.2155 | |
| 658 | C | A | 0.0000 | |
| 659 | L | A | 0.0000 | |
| 660 | G | A | -1.5914 | |
| 661 | D | A | -1.5066 | |
| 662 | A | A | -0.9068 | |
| 663 | G | A | 0.0000 | |
| 664 | I | A | 0.0000 | |
| 665 | L | A | -0.7952 | |
| 666 | Q | A | -1.2338 | |
| 667 | L | A | 0.0000 | |
| 668 | V | A | 0.0000 | |
| 669 | E | A | -2.0450 | |
| 670 | S | A | -0.8350 | |
| 671 | V | A | -0.9378 | |
| 672 | R | A | -2.0213 | |
| 673 | G | A | -1.2444 | |
| 674 | S | A | -1.1622 | |
| 675 | G | A | -1.0908 | |
| 676 | S | A | -1.2238 | |
| 677 | E | A | -1.5924 | |
| 678 | R | A | -1.2466 | |
| 679 | S | A | 0.0000 | |
| 680 | K | A | -1.4171 | |
| 681 | P | A | -1.0854 | |
| 682 | N | A | 0.0000 | |
| 683 | N | A | 0.0000 | |
| 684 | P | A | -0.5771 | |
| 685 | A | A | -0.3085 | |
| 686 | Q | A | 0.0000 | |
| 687 | Y | A | 0.0000 | |
| 688 | P | A | 0.7882 | |
| 689 | A | A | 1.4898 | |
| 690 | F | A | 2.4937 | |
| 691 | S | A | 0.0000 | |
| 692 | V | A | 1.2945 | |
| 693 | T | A | 0.0000 | |
| 694 | N | A | -0.3875 | |
| 695 | P | A | 0.0000 | |
| 696 | G | A | -0.6153 | |
| 697 | G | A | 0.0000 | |
| 698 | S | A | -0.8926 | |
| 699 | G | A | -0.9201 | |
| 700 | Q | A | -0.8730 | |
| 701 | L | A | 0.0000 | |
| 702 | V | A | 0.5206 | |
| 703 | L | A | 0.0000 | |
| 704 | Y | A | 0.0240 | |
| 705 | D | A | -1.3045 | |
| 706 | I | A | -0.9612 | |
| 707 | Y | A | 0.0000 | |
| 708 | W | A | -0.5411 | |
| 709 | S | A | -1.5794 | |
| 710 | E | A | -2.9485 | |
| 711 | E | A | -3.1077 | |
| 712 | M | A | 0.0000 | |
| 713 | E | A | -2.1885 | |
| 714 | D | A | -3.4230 | |
| 715 | R | A | -2.8737 | |
| 716 | L | A | 0.0000 | |
| 717 | Q | A | -3.0405 | |
| 718 | A | A | -2.6351 | |
| 719 | L | A | 0.0000 | |
| 720 | E | A | -2.8102 | |
| 721 | K | A | -3.1565 | |
| 722 | D | A | -2.8204 | |
| 723 | G | A | -2.2875 | |
| 724 | S | A | -1.6176 | |
| 725 | G | A | -1.5954 | |
| 726 | S | A | -1.7227 | |
| 727 | E | A | -2.2241 | |
| 728 | R | A | -1.8251 | |
| 729 | S | A | -1.3248 | |
| 730 | K | A | -1.2933 | |
| 731 | P | A | -0.5834 | |
| 732 | N | A | -0.8732 | |
| 733 | N | A | 0.0000 | |
| 734 | P | A | -0.8501 | |
| 735 | A | A | -0.5761 | |
| 736 | Q | A | -0.7863 | |
| 737 | Y | A | 0.1245 | |
| 738 | P | A | 0.3303 | |
| 739 | A | A | 1.1975 | |
| 740 | F | A | 2.3949 | |
| 741 | S | A | 1.4359 | |
| 742 | V | A | 1.0067 | |
| 743 | T | A | 0.0000 | |
| 744 | N | A | -1.0844 | |
| 745 | P | A | 0.0000 | |
| 746 | G | A | -1.0190 | |
| 747 | G | A | -1.1803 | |
| 748 | S | A | -1.5951 | |
| 749 | G | A | 0.0000 | |
| 750 | R | A | -2.1715 | |
| 751 | V | A | 0.0000 | |
| 752 | I | A | 1.0191 | |
| 753 | S | A | 0.5370 |
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, -0.6975 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_5 | -0.6975 | View | CSV | PDB |
| model_6 | -0.7099 | View | CSV | PDB |
| model_2 | -0.7251 | View | CSV | PDB |
| model_7 | -0.7301 | View | CSV | PDB |
| model_10 | -0.7306 | View | CSV | PDB |
| model_3 | -0.7316 | View | CSV | PDB |
| CABS_average | -0.738 | View | CSV | PDB |
| model_11 | -0.7425 | View | CSV | PDB |
| model_1 | -0.7508 | View | CSV | PDB |
| model_8 | -0.7516 | View | CSV | PDB |
| model_0 | -0.7579 | View | CSV | PDB |
| model_9 | -0.7639 | View | CSV | PDB |
| model_4 | -0.7644 | View | CSV | PDB |
| input | -0.9613 | 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