Project name: C01_A71_EF_A6_EF_GSG
Status: done
Started: 2026-07-21 11:01:53
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTEDSHPPYKQTQPGAGSGVRLDDCGLTEARCKDISSALRVGSGTEDSHPPYKQTQPGAGSGELNLRSNELGDVGVHCVLQGLQGSGTEDSHPPYKQTQPGAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTEDSHPPYKQTQPGAGSGELHLSDNLLGDAGLQLLCEGLLGSGTEDSHPPYKQTQPGAGSGKLQLEYCSLSAASCEPLASVLRAGSGTEDSHPPYKQTQPGAGSGELTVSNNDINEAGVRVLCQGLKDGSGTEDSHPPYKQTQPGAGSGALKLESCGVTSDNCRDLCGIVASGSGTEDSHPPYKQTQPGAGSGELALGSNKLGDVGMAELCPGLLGSGSPATKPNGQGLYPDFAGSGTLWIWECGITAKGCGDLCRVLRAGSGSPATKPNGQGLYPDFAGSGELSLAGNELGDEGARLLCETLLGSGSPATKPNGQGLYPDFAGSGSLWVKSCSFTAACCSHFSSVLAQGSGSPATKPNGQGLYPDFAGSGELQISNNRLEDAGVRELCQGLGGSGSPATKPNGQGLYPDFAGSGVLWLADCDVSDSSCSSLAATLLAGSGSPATKPNGQGLYPDFAGSGELDLSNNCLGDAGILQLVESVRGSGSPATKPNGQGLYPDFAGSGQLVLYDIYWSEEMEDRLQALEKDGSGSPATKPNGQGLYPDFAGSGRVIS
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 (00:10:12)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:40:29)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:40:36)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:40:42)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:40:48)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:40:54)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:41:00)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:41:06)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:41:13)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:41:20)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:41:26)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:41:34)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:41:40)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:41:47)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:42:02)
[INFO] Main: Simulation completed successfully. (02:42:09)
|
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
- -3.898
- Maximal score value
- 1.4645
- Average score
- -0.7304
- Total score value
- -520.7697
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 | -0.2549 | |
| 2 | L | A | 0.3208 | |
| 3 | D | A | -0.0287 | |
| 4 | I | A | 1.3433 | |
| 5 | Q | A | 0.5655 | |
| 6 | S | A | -0.1704 | |
| 7 | L | A | -0.2305 | |
| 8 | D | A | -1.9205 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.0269 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.6327 | |
| 13 | E | A | -2.9647 | |
| 14 | L | A | -1.0874 | |
| 15 | S | A | -1.5505 | |
| 16 | D | A | -2.0391 | |
| 17 | A | A | -1.2500 | |
| 18 | R | A | -1.8390 | |
| 19 | W | A | -1.1040 | |
| 20 | A | A | -1.3134 | |
| 21 | E | A | -2.1458 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.8039 | |
| 24 | P | A | -0.9308 | |
| 25 | L | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.0145 | |
| 28 | G | A | -0.3187 | |
| 29 | S | A | 0.0000 | |
| 30 | G | A | -0.3474 | |
| 31 | T | A | 0.0000 | |
| 32 | E | A | 0.0000 | |
| 33 | D | A | -0.9366 | |
| 34 | S | A | 0.0000 | |
| 35 | H | A | -0.4656 | |
| 36 | P | A | -0.8426 | |
| 37 | P | A | -1.2544 | |
| 38 | Y | A | 0.0000 | |
| 39 | K | A | -3.2159 | |
| 40 | Q | A | -2.7680 | |
| 41 | T | A | -1.5478 | |
| 42 | Q | A | -1.0472 | |
| 43 | P | A | -0.4033 | |
| 44 | G | A | -0.2486 | |
| 45 | A | A | 0.0759 | |
| 46 | G | A | 0.1885 | |
| 47 | S | A | -0.0101 | |
| 48 | G | A | -0.5892 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.4299 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -3.1652 | |
| 53 | D | A | -3.7686 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.1375 | |
| 58 | E | A | -1.9666 | |
| 59 | A | A | -1.2569 | |
| 60 | R | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.2212 | |
| 63 | D | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.0095 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -1.6677 | |
| 70 | V | A | 0.3913 | |
| 71 | G | A | -0.5476 | |
| 72 | S | A | 0.0000 | |
| 73 | G | A | -1.1576 | |
| 74 | T | A | -1.5169 | |
| 75 | E | A | -2.2523 | |
| 76 | D | A | -1.7313 | |
| 77 | S | A | 0.0000 | |
| 78 | H | A | 0.0000 | |
| 79 | P | A | -0.5530 | |
| 80 | P | A | -0.7578 | |
| 81 | Y | A | -1.4605 | |
| 82 | K | A | -2.7812 | |
| 83 | Q | A | -3.0250 | |
| 84 | T | A | 0.0000 | |
| 85 | Q | A | 0.0000 | |
| 86 | P | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | G | A | -0.4189 | |
| 90 | S | A | -0.5578 | |
| 91 | G | A | -0.7551 | |
| 92 | E | A | -1.5475 | |
| 93 | L | A | -0.8833 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -1.8559 | |
| 97 | S | A | -1.8135 | |
| 98 | N | A | -2.1868 | |
| 99 | E | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.6760 | |
| 102 | D | A | -0.2415 | |
| 103 | V | A | 0.6066 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.3945 | |
| 107 | C | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.2356 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -0.7655 | |
| 113 | Q | A | -1.1400 | |
| 114 | G | A | -1.2907 | |
| 115 | S | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | E | A | -1.3413 | |
| 119 | D | A | 0.0000 | |
| 120 | S | A | -1.5671 | |
| 121 | H | A | 0.0000 | |
| 122 | P | A | -1.3479 | |
| 123 | P | A | -1.2050 | |
| 124 | Y | A | 0.0000 | |
| 125 | K | A | -2.7302 | |
| 126 | Q | A | 0.0000 | |
| 127 | T | A | -1.4670 | |
| 128 | Q | A | 0.0000 | |
| 129 | P | A | -1.0274 | |
| 130 | G | A | -0.7104 | |
| 131 | A | A | -0.4414 | |
| 132 | G | A | -0.5678 | |
| 133 | S | A | -0.9045 | |
| 134 | G | A | -1.0817 | |
| 135 | K | A | -1.2977 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.0435 | |
| 140 | N | A | -0.9445 | |
| 141 | C | A | -0.2891 | |
| 142 | C | A | -0.6471 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.7337 | |
| 145 | G | A | -0.7337 | |
| 146 | A | A | -0.0939 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.3159 | |
| 150 | V | A | 0.0791 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | S | A | -0.9389 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | -0.8573 | |
| 156 | R | A | -1.9755 | |
| 157 | T | A | -1.2036 | |
| 158 | G | A | -1.2866 | |
| 159 | S | A | -0.7627 | |
| 160 | G | A | -0.4771 | |
| 161 | T | A | -1.1798 | |
| 162 | E | A | 0.0000 | |
| 163 | D | A | -2.3531 | |
| 164 | S | A | 0.0000 | |
| 165 | H | A | -1.5098 | |
| 166 | P | A | -1.0674 | |
| 167 | P | A | -0.4640 | |
| 168 | Y | A | 0.0574 | |
| 169 | K | A | -1.0846 | |
| 170 | Q | A | -1.6738 | |
| 171 | T | A | 0.0000 | |
| 172 | Q | A | -1.3689 | |
| 173 | P | A | -0.9732 | |
| 174 | G | A | -0.8145 | |
| 175 | A | A | -0.6233 | |
| 176 | G | A | -0.7123 | |
| 177 | S | A | -0.8366 | |
| 178 | G | A | -1.0095 | |
| 179 | E | A | -1.3249 | |
| 180 | L | A | -0.6103 | |
| 181 | H | A | -0.7035 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -0.7026 | |
| 185 | N | A | -1.2104 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -1.1319 | |
| 189 | D | A | -1.2648 | |
| 190 | A | A | -0.7721 | |
| 191 | G | A | -0.7915 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.3792 | |
| 194 | L | A | -0.4183 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | -0.6386 | |
| 197 | E | A | -1.5544 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | -0.1404 | |
| 200 | L | A | 0.3954 | |
| 201 | G | A | -0.7144 | |
| 202 | S | A | -0.8010 | |
| 203 | G | A | -0.7827 | |
| 204 | T | A | -0.7164 | |
| 205 | E | A | 0.0000 | |
| 206 | D | A | -2.3271 | |
| 207 | S | A | -1.2431 | |
| 208 | H | A | 0.0000 | |
| 209 | P | A | -1.3398 | |
| 210 | P | A | -1.0584 | |
| 211 | Y | A | 0.0000 | |
| 212 | K | A | -2.1731 | |
| 213 | Q | A | -1.3925 | |
| 214 | T | A | -0.8217 | |
| 215 | Q | A | -0.7045 | |
| 216 | P | A | -0.5259 | |
| 217 | G | A | -0.6115 | |
| 218 | A | A | -0.3964 | |
| 219 | G | A | -0.5888 | |
| 220 | S | A | -0.7399 | |
| 221 | G | A | -0.8793 | |
| 222 | K | A | -0.9044 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.7482 | |
| 227 | Y | A | 0.0156 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -1.3516 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.5165 | |
| 232 | A | A | -1.2128 | |
| 233 | A | A | -0.8387 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -2.0829 | |
| 237 | P | A | -1.3800 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | -1.6076 | |
| 240 | S | A | -1.2318 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -2.5093 | |
| 244 | A | A | -1.1436 | |
| 245 | G | A | -0.8711 | |
| 246 | S | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | E | A | -3.3048 | |
| 250 | D | A | -2.6019 | |
| 251 | S | A | 0.0000 | |
| 252 | H | A | -1.7634 | |
| 253 | P | A | -1.4070 | |
| 254 | P | A | -0.9428 | |
| 255 | Y | A | -1.0577 | |
| 256 | K | A | -2.1272 | |
| 257 | Q | A | -2.1884 | |
| 258 | T | A | 0.0000 | |
| 259 | Q | A | 0.0000 | |
| 260 | P | A | -0.5627 | |
| 261 | G | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | G | A | -0.9887 | |
| 264 | S | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | E | A | -0.7243 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | -0.8166 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -1.1987 | |
| 271 | N | A | 0.0000 | |
| 272 | N | A | -2.3568 | |
| 273 | D | A | -2.6171 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.0066 | |
| 276 | E | A | -1.9350 | |
| 277 | A | A | -1.1927 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -2.6557 | |
| 281 | V | A | -1.3725 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.5255 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | -2.0801 | |
| 287 | K | A | -3.1428 | |
| 288 | D | A | -3.4458 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | -2.3771 | |
| 291 | G | A | -2.5127 | |
| 292 | T | A | 0.0000 | |
| 293 | E | A | -3.7729 | |
| 294 | D | A | -3.5712 | |
| 295 | S | A | -2.4593 | |
| 296 | H | A | -2.0575 | |
| 297 | P | A | -1.1604 | |
| 298 | P | A | -1.0069 | |
| 299 | Y | A | -1.5138 | |
| 300 | K | A | -2.3380 | |
| 301 | Q | A | -1.9216 | |
| 302 | T | A | -1.1763 | |
| 303 | Q | A | 0.0000 | |
| 304 | P | A | -0.4787 | |
| 305 | G | A | -0.6535 | |
| 306 | A | A | -0.4646 | |
| 307 | G | A | -0.5359 | |
| 308 | S | A | -0.5241 | |
| 309 | G | A | -0.7218 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -1.2495 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -2.2838 | |
| 315 | S | A | -2.3827 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.4852 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -1.4047 | |
| 320 | S | A | -1.4544 | |
| 321 | D | A | -2.9924 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -3.0688 | |
| 325 | D | A | -2.5699 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -1.1775 | |
| 328 | G | A | -1.2322 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | -0.6263 | |
| 332 | S | A | -0.8361 | |
| 333 | G | A | -0.9302 | |
| 334 | S | A | 0.0000 | |
| 335 | G | A | -1.2253 | |
| 336 | T | A | 0.0000 | |
| 337 | E | A | -2.4472 | |
| 338 | D | A | -2.2853 | |
| 339 | S | A | -1.1060 | |
| 340 | H | A | -1.4428 | |
| 341 | P | A | -0.9189 | |
| 342 | P | A | -0.9539 | |
| 343 | Y | A | -1.4960 | |
| 344 | K | A | -2.2838 | |
| 345 | Q | A | -1.9560 | |
| 346 | T | A | -1.5610 | |
| 347 | Q | A | 0.0000 | |
| 348 | P | A | -0.6544 | |
| 349 | G | A | -0.7195 | |
| 350 | A | A | -0.4992 | |
| 351 | G | A | -0.9492 | |
| 352 | S | A | -0.7630 | |
| 353 | G | A | 0.0000 | |
| 354 | E | A | -0.9723 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | N | A | -2.0889 | |
| 361 | K | A | -2.3506 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.5681 | |
| 364 | D | A | -0.2489 | |
| 365 | V | A | 1.1430 | |
| 366 | G | A | -0.3811 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.3748 | |
| 369 | E | A | -1.0425 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.8015 | |
| 373 | G | A | -0.6626 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.5315 | |
| 376 | G | A | -0.6059 | |
| 377 | S | A | -0.7467 | |
| 378 | G | A | -1.0671 | |
| 379 | S | A | -0.6686 | |
| 380 | P | A | -0.5495 | |
| 381 | A | A | -0.6814 | |
| 382 | T | A | -1.0634 | |
| 383 | K | A | -2.2558 | |
| 384 | P | A | -1.8161 | |
| 385 | N | A | -1.7963 | |
| 386 | G | A | -1.8438 | |
| 387 | Q | A | -1.9162 | |
| 388 | G | A | -0.4107 | |
| 389 | L | A | 1.3374 | |
| 390 | Y | A | 1.1675 | |
| 391 | P | A | 0.4860 | |
| 392 | D | A | -0.0240 | |
| 393 | F | A | 1.0664 | |
| 394 | A | A | 0.1558 | |
| 395 | G | A | -0.5349 | |
| 396 | S | A | -0.9320 | |
| 397 | G | A | -0.8113 | |
| 398 | T | A | -0.7329 | |
| 399 | L | A | 0.0000 | |
| 400 | W | A | -0.1209 | |
| 401 | I | A | 0.0000 | |
| 402 | W | A | -1.0859 | |
| 403 | E | A | -2.3691 | |
| 404 | C | A | 0.0000 | |
| 405 | G | A | -1.8831 | |
| 406 | I | A | 0.0000 | |
| 407 | T | A | -1.5352 | |
| 408 | A | A | -1.8235 | |
| 409 | K | A | -2.0606 | |
| 410 | G | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | 0.0000 | |
| 413 | D | A | -1.5433 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | R | A | -2.3908 | |
| 417 | V | A | 0.0000 | |
| 418 | L | A | -1.2573 | |
| 419 | R | A | -1.8698 | |
| 420 | A | A | -1.2199 | |
| 421 | G | A | -1.2807 | |
| 422 | S | A | -0.4509 | |
| 423 | G | A | -0.0596 | |
| 424 | S | A | 0.0000 | |
| 425 | P | A | -0.8160 | |
| 426 | A | A | -0.6601 | |
| 427 | T | A | 0.0000 | |
| 428 | K | A | -2.2170 | |
| 429 | P | A | -1.7550 | |
| 430 | N | A | -1.6252 | |
| 431 | G | A | -1.0643 | |
| 432 | Q | A | -0.2636 | |
| 433 | G | A | 0.2620 | |
| 434 | L | A | 1.4645 | |
| 435 | Y | A | 0.0000 | |
| 436 | P | A | 0.0000 | |
| 437 | D | A | 0.0000 | |
| 438 | F | A | 0.3328 | |
| 439 | A | A | -0.0924 | |
| 440 | G | A | -0.3448 | |
| 441 | S | A | -0.6618 | |
| 442 | G | A | -0.8697 | |
| 443 | E | A | -1.0090 | |
| 444 | L | A | 0.0000 | |
| 445 | S | A | 0.0257 | |
| 446 | L | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | G | A | 0.0000 | |
| 449 | N | A | -2.5180 | |
| 450 | E | A | -2.3722 | |
| 451 | L | A | -1.6361 | |
| 452 | G | A | -1.6177 | |
| 453 | D | A | -1.7594 | |
| 454 | E | A | -2.5708 | |
| 455 | G | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | R | A | -1.6057 | |
| 458 | L | A | -1.2839 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | E | A | -0.4140 | |
| 462 | T | A | 0.0000 | |
| 463 | L | A | 0.0732 | |
| 464 | L | A | 0.2665 | |
| 465 | G | A | -0.1964 | |
| 466 | S | A | -0.5230 | |
| 467 | G | A | -0.5713 | |
| 468 | S | A | -0.1807 | |
| 469 | P | A | 0.0000 | |
| 470 | A | A | 0.0129 | |
| 471 | T | A | 0.0000 | |
| 472 | K | A | 0.0000 | |
| 473 | P | A | -0.8577 | |
| 474 | N | A | -1.3506 | |
| 475 | G | A | -0.9872 | |
| 476 | Q | A | 0.0000 | |
| 477 | G | A | -0.0862 | |
| 478 | L | A | 0.0000 | |
| 479 | Y | A | 1.0718 | |
| 480 | P | A | 0.1566 | |
| 481 | D | A | -0.7122 | |
| 482 | F | A | -0.0821 | |
| 483 | A | A | -0.1594 | |
| 484 | G | A | -0.3713 | |
| 485 | S | A | -0.7380 | |
| 486 | G | A | -0.9245 | |
| 487 | S | A | -0.7115 | |
| 488 | L | A | -0.2215 | |
| 489 | W | A | -0.0031 | |
| 490 | V | A | 0.0000 | |
| 491 | K | A | -1.0381 | |
| 492 | S | A | -1.7218 | |
| 493 | C | A | 0.0000 | |
| 494 | S | A | -1.6283 | |
| 495 | F | A | 0.0000 | |
| 496 | T | A | -1.3461 | |
| 497 | A | A | -0.8960 | |
| 498 | A | A | -0.3792 | |
| 499 | C | A | 0.0000 | |
| 500 | C | A | 0.0000 | |
| 501 | S | A | -0.7058 | |
| 502 | H | A | -0.7407 | |
| 503 | F | A | 0.0000 | |
| 504 | S | A | -0.8511 | |
| 505 | S | A | -0.6131 | |
| 506 | V | A | 0.0000 | |
| 507 | L | A | -0.5168 | |
| 508 | A | A | -0.9866 | |
| 509 | Q | A | -1.3947 | |
| 510 | G | A | -1.0734 | |
| 511 | S | A | -0.9868 | |
| 512 | G | A | -1.0946 | |
| 513 | S | A | -0.7429 | |
| 514 | P | A | -0.3617 | |
| 515 | A | A | -0.0677 | |
| 516 | T | A | -0.2270 | |
| 517 | K | A | -0.9591 | |
| 518 | P | A | -1.2493 | |
| 519 | N | A | -2.0444 | |
| 520 | G | A | -1.6016 | |
| 521 | Q | A | 0.0000 | |
| 522 | G | A | -0.4393 | |
| 523 | L | A | 0.0402 | |
| 524 | Y | A | 0.0000 | |
| 525 | P | A | 0.0000 | |
| 526 | D | A | -0.5982 | |
| 527 | F | A | -0.0824 | |
| 528 | A | A | -0.1943 | |
| 529 | G | A | -0.4655 | |
| 530 | S | A | -0.7487 | |
| 531 | G | A | -1.1234 | |
| 532 | E | A | -1.1143 | |
| 533 | L | A | 0.0000 | |
| 534 | Q | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | S | A | -1.3872 | |
| 537 | N | A | -2.5090 | |
| 538 | N | A | -3.3712 | |
| 539 | R | A | -3.2611 | |
| 540 | L | A | 0.0000 | |
| 541 | E | A | -2.9142 | |
| 542 | D | A | -2.1393 | |
| 543 | A | A | -1.3201 | |
| 544 | G | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | R | A | -2.1801 | |
| 547 | E | A | -1.9423 | |
| 548 | L | A | 0.0000 | |
| 549 | C | A | 0.0000 | |
| 550 | Q | A | -1.8321 | |
| 551 | G | A | -1.2511 | |
| 552 | L | A | -0.8194 | |
| 553 | G | A | -0.8354 | |
| 554 | G | A | -1.0052 | |
| 555 | S | A | -0.8816 | |
| 556 | G | A | -0.6716 | |
| 557 | S | A | -0.3931 | |
| 558 | P | A | -0.6374 | |
| 559 | A | A | -0.5865 | |
| 560 | T | A | -0.6583 | |
| 561 | K | A | -1.2373 | |
| 562 | P | A | -1.1767 | |
| 563 | N | A | -1.6989 | |
| 564 | G | A | -1.4726 | |
| 565 | Q | A | 0.0000 | |
| 566 | G | A | -0.3929 | |
| 567 | L | A | 0.0000 | |
| 568 | Y | A | 1.2130 | |
| 569 | P | A | 0.5847 | |
| 570 | D | A | 0.0000 | |
| 571 | F | A | 0.5056 | |
| 572 | A | A | 0.2366 | |
| 573 | G | A | -0.0820 | |
| 574 | S | A | -0.5444 | |
| 575 | G | A | -0.8564 | |
| 576 | V | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | W | A | 0.2145 | |
| 579 | L | A | 0.0000 | |
| 580 | A | A | -1.2561 | |
| 581 | D | A | -3.0050 | |
| 582 | C | A | 0.0000 | |
| 583 | D | A | -2.4651 | |
| 584 | V | A | 0.0000 | |
| 585 | S | A | -1.4504 | |
| 586 | D | A | -1.6788 | |
| 587 | S | A | -1.1170 | |
| 588 | S | A | 0.0000 | |
| 589 | C | A | 0.0000 | |
| 590 | S | A | -0.7158 | |
| 591 | S | A | -0.7775 | |
| 592 | L | A | 0.0000 | |
| 593 | A | A | 0.0000 | |
| 594 | A | A | 0.3162 | |
| 595 | T | A | 0.0000 | |
| 596 | L | A | 0.6774 | |
| 597 | L | A | 1.3257 | |
| 598 | A | A | 0.3951 | |
| 599 | G | A | -0.0805 | |
| 600 | S | A | 0.0000 | |
| 601 | G | A | -0.4513 | |
| 602 | S | A | 0.0000 | |
| 603 | P | A | 0.0000 | |
| 604 | A | A | 0.0000 | |
| 605 | T | A | 0.0000 | |
| 606 | K | A | 0.0000 | |
| 607 | P | A | -0.9523 | |
| 608 | N | A | -0.8266 | |
| 609 | G | A | -0.7889 | |
| 610 | Q | A | 0.0000 | |
| 611 | G | A | 0.4983 | |
| 612 | L | A | 1.0371 | |
| 613 | Y | A | 1.2952 | |
| 614 | P | A | 1.0036 | |
| 615 | D | A | 0.0000 | |
| 616 | F | A | 1.0471 | |
| 617 | A | A | 0.2665 | |
| 618 | G | A | -0.0250 | |
| 619 | S | A | -0.4127 | |
| 620 | G | A | -0.7351 | |
| 621 | E | A | -0.7134 | |
| 622 | L | A | 0.0727 | |
| 623 | D | A | 0.0000 | |
| 624 | L | A | 0.0000 | |
| 625 | S | A | 0.0000 | |
| 626 | N | A | -1.9691 | |
| 627 | N | A | -1.8991 | |
| 628 | C | A | 0.0000 | |
| 629 | L | A | 0.0000 | |
| 630 | G | A | -1.1122 | |
| 631 | D | A | -1.1926 | |
| 632 | A | A | -0.8151 | |
| 633 | G | A | 0.0000 | |
| 634 | I | A | 0.0000 | |
| 635 | L | A | -0.1151 | |
| 636 | Q | A | -0.7066 | |
| 637 | L | A | 0.0000 | |
| 638 | V | A | 0.0000 | |
| 639 | E | A | -1.1576 | |
| 640 | S | A | -0.4871 | |
| 641 | V | A | 0.0000 | |
| 642 | R | A | -2.2608 | |
| 643 | G | A | -0.8945 | |
| 644 | S | A | 0.0000 | |
| 645 | G | A | 0.0000 | |
| 646 | S | A | -0.8695 | |
| 647 | P | A | -0.5755 | |
| 648 | A | A | 0.0000 | |
| 649 | T | A | 0.0000 | |
| 650 | K | A | -1.2515 | |
| 651 | P | A | -1.0575 | |
| 652 | N | A | -1.1677 | |
| 653 | G | A | -1.3797 | |
| 654 | Q | A | -1.7759 | |
| 655 | G | A | -1.2038 | |
| 656 | L | A | 0.0000 | |
| 657 | Y | A | 0.6298 | |
| 658 | P | A | 0.0000 | |
| 659 | D | A | 0.0000 | |
| 660 | F | A | 0.0000 | |
| 661 | A | A | 0.3068 | |
| 662 | G | A | 0.0000 | |
| 663 | S | A | -0.3664 | |
| 664 | G | A | 0.0000 | |
| 665 | Q | A | -0.4740 | |
| 666 | L | A | 0.0000 | |
| 667 | V | A | 0.8048 | |
| 668 | L | A | 0.0000 | |
| 669 | Y | A | 0.3173 | |
| 670 | D | A | -1.5083 | |
| 671 | I | A | 0.0000 | |
| 672 | Y | A | 0.6672 | |
| 673 | W | A | -0.1670 | |
| 674 | S | A | -1.7085 | |
| 675 | E | A | -3.1244 | |
| 676 | E | A | -3.6137 | |
| 677 | M | A | -2.2967 | |
| 678 | E | A | -2.5901 | |
| 679 | D | A | -3.6596 | |
| 680 | R | A | -3.2089 | |
| 681 | L | A | -2.9273 | |
| 682 | Q | A | -3.3931 | |
| 683 | A | A | -2.7332 | |
| 684 | L | A | 0.0000 | |
| 685 | E | A | -3.8980 | |
| 686 | K | A | -3.4823 | |
| 687 | D | A | -2.8832 | |
| 688 | G | A | -1.7284 | |
| 689 | S | A | -0.9032 | |
| 690 | G | A | -0.5596 | |
| 691 | S | A | 0.0000 | |
| 692 | P | A | -0.8310 | |
| 693 | A | A | -0.3868 | |
| 694 | T | A | -0.3381 | |
| 695 | K | A | 0.0000 | |
| 696 | P | A | -0.9842 | |
| 697 | N | A | 0.0000 | |
| 698 | G | A | -1.4855 | |
| 699 | Q | A | -1.6315 | |
| 700 | G | A | -0.6477 | |
| 701 | L | A | 0.8967 | |
| 702 | Y | A | 0.0000 | |
| 703 | P | A | -0.4580 | |
| 704 | D | A | -0.1868 | |
| 705 | F | A | 0.0415 | |
| 706 | A | A | -0.1523 | |
| 707 | G | A | -0.6105 | |
| 708 | S | A | -1.3774 | |
| 709 | G | A | 0.0000 | |
| 710 | R | A | -1.9674 | |
| 711 | V | A | 0.0000 | |
| 712 | I | A | 0.4293 | |
| 713 | S | A | 0.4946 |
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, -0.7304 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 | -0.7304 | View | CSV | PDB |
| model_2 | -0.7517 | View | CSV | PDB |
| model_6 | -0.7575 | View | CSV | PDB |
| model_4 | -0.7698 | View | CSV | PDB |
| model_7 | -0.7736 | View | CSV | PDB |
| model_5 | -0.7972 | View | CSV | PDB |
| model_9 | -0.8082 | View | CSV | PDB |
| CABS_average | -0.8083 | View | CSV | PDB |
| model_1 | -0.8238 | View | CSV | PDB |
| model_10 | -0.8535 | View | CSV | PDB |
| model_3 | -0.8727 | View | CSV | PDB |
| model_11 | -0.8777 | View | CSV | PDB |
| model_8 | -0.8837 | View | CSV | PDB |
| input | -0.9665 | 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