Project name: C03_A71_EF_A16_EF_GSG
Status: done
Started: 2026-07-21 11:02:19
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTEDSHPPYKQTQPGAGSGVRLDDCGLTEARCKDISSALRVGSGTEDSHPPYKQTQPGAGSGELNLRSNELGDVGVHCVLQGLQGSGTEDSHPPYKQTQPGAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTEDSHPPYKQTQPGAGSGELHLSDNLLGDAGLQLLCEGLLGSGTEDSHPPYKQTQPGAGSGKLQLEYCSLSAASCEPLASVLRAGSGTEDSHPPYKQTQPGAGSGELTVSNNDINEAGVRVLCQGLKDGSGTEDSHPPYKQTQPGAGSGALKLESCGVTSDNCRDLCGIVASGSGTEDSHPPYKQTQPGAGSGELALGSNKLGDVGMAELCPGLLGSGTGNENSHPPYATTGSGTLWIWECGITAKGCGDLCRVLRAGSGTGNENSHPPYATTGSGELSLAGNELGDEGARLLCETLLGSGTGNENSHPPYATTGSGSLWVKSCSFTAACCSHFSSVLAQGSGTGNENSHPPYATTGSGELQISNNRLEDAGVRELCQGLGGSGTGNENSHPPYATTGSGVLWLADCDVSDSSCSSLAATLLAGSGTGNENSHPPYATTGSGELDLSNNCLGDAGILQLVESVRGSGTGNENSHPPYATTGSGQLVLYDIYWSEEMEDRLQALEKDGSGTGNENSHPPYATTGSGRVIS
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 (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:09:03)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:35:50)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:35:55)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:36:01)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:36:05)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:36:10)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:36:16)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:36:22)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:36:27)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:36:32)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:36:37)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:36:42)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:36:47)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:36:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:37:04)
[INFO] Main: Simulation completed successfully. (02:37:09)
|
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
- -4.7501
- Maximal score value
- 1.0719
- Average score
- -0.8414
- Total score value
- -579.743
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 | -1.2447 | |
| 2 | L | A | 0.0000 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 0.1660 | |
| 5 | Q | A | 0.0000 | |
| 6 | S | A | -0.7969 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.3676 | |
| 9 | I | A | -1.8837 | |
| 10 | Q | A | -2.8738 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.5275 | |
| 13 | E | A | -3.1506 | |
| 14 | L | A | -1.4217 | |
| 15 | S | A | -1.7162 | |
| 16 | D | A | -2.5177 | |
| 17 | A | A | -2.0211 | |
| 18 | R | A | -3.3516 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.8678 | |
| 21 | E | A | -2.4866 | |
| 22 | L | A | -1.3216 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.7486 | |
| 25 | L | A | 0.3161 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.8201 | |
| 28 | G | A | -0.6476 | |
| 29 | S | A | -0.4441 | |
| 30 | G | A | -0.7763 | |
| 31 | T | A | -1.2692 | |
| 32 | E | A | -2.3773 | |
| 33 | D | A | -2.2466 | |
| 34 | S | A | -1.8749 | |
| 35 | H | A | -1.8378 | |
| 36 | P | A | -1.1292 | |
| 37 | P | A | -0.7421 | |
| 38 | Y | A | -1.3279 | |
| 39 | K | A | -2.3317 | |
| 40 | Q | A | -1.7415 | |
| 41 | T | A | -1.0606 | |
| 42 | Q | A | -1.2772 | |
| 43 | P | A | -0.4825 | |
| 44 | G | A | -0.6535 | |
| 45 | A | A | -0.3604 | |
| 46 | G | A | -0.2403 | |
| 47 | S | A | -0.4450 | |
| 48 | G | A | -1.1817 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.5913 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.7570 | |
| 53 | D | A | -2.8105 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.2806 | |
| 58 | E | A | -1.5795 | |
| 59 | A | A | -1.4195 | |
| 60 | R | A | -1.6253 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.3866 | |
| 63 | D | A | -2.1415 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.5207 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | -1.3549 | |
| 69 | R | A | -2.0895 | |
| 70 | V | A | -0.7409 | |
| 71 | G | A | -0.5156 | |
| 72 | S | A | -0.8262 | |
| 73 | G | A | -0.9997 | |
| 74 | T | A | 0.0000 | |
| 75 | E | A | -2.3305 | |
| 76 | D | A | -2.4671 | |
| 77 | S | A | -1.6748 | |
| 78 | H | A | -1.8251 | |
| 79 | P | A | -0.8082 | |
| 80 | P | A | -0.2580 | |
| 81 | Y | A | 0.2282 | |
| 82 | K | A | -1.1997 | |
| 83 | Q | A | -1.6903 | |
| 84 | T | A | 0.0000 | |
| 85 | Q | A | -2.1362 | |
| 86 | P | A | 0.0000 | |
| 87 | G | A | -1.0471 | |
| 88 | A | A | -0.7465 | |
| 89 | G | A | -0.7823 | |
| 90 | S | A | -0.7272 | |
| 91 | G | A | -0.7927 | |
| 92 | E | A | -1.2367 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -1.9425 | |
| 97 | S | A | -2.0581 | |
| 98 | N | A | -2.5576 | |
| 99 | E | A | -1.9075 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.5901 | |
| 102 | D | A | -0.2830 | |
| 103 | V | A | 0.6700 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.4794 | |
| 107 | C | A | -0.8813 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.8545 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -0.9348 | |
| 113 | Q | A | -1.5063 | |
| 114 | G | A | -1.4217 | |
| 115 | S | A | -1.2815 | |
| 116 | G | A | -1.0822 | |
| 117 | T | A | 0.0000 | |
| 118 | E | A | -2.5763 | |
| 119 | D | A | -1.8284 | |
| 120 | S | A | -1.2902 | |
| 121 | H | A | -1.0475 | |
| 122 | P | A | -0.9382 | |
| 123 | P | A | -0.4333 | |
| 124 | Y | A | -0.5093 | |
| 125 | K | A | -1.9927 | |
| 126 | Q | A | -1.6678 | |
| 127 | T | A | -1.2615 | |
| 128 | Q | A | 0.0000 | |
| 129 | P | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | A | A | -0.1727 | |
| 132 | G | A | -0.5918 | |
| 133 | S | A | -0.6366 | |
| 134 | G | A | -0.8413 | |
| 135 | K | A | -1.3179 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.7611 | |
| 140 | N | A | -2.0689 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | -0.1882 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.3158 | |
| 145 | G | A | 0.0349 | |
| 146 | A | A | 0.0982 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.1655 | |
| 150 | V | A | -0.3583 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.7562 | |
| 153 | S | A | -1.0761 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | -1.1616 | |
| 156 | R | A | -2.5024 | |
| 157 | T | A | -1.4186 | |
| 158 | G | A | -1.1719 | |
| 159 | S | A | -1.3754 | |
| 160 | G | A | -1.6364 | |
| 161 | T | A | -1.9192 | |
| 162 | E | A | -2.8426 | |
| 163 | D | A | -2.1119 | |
| 164 | S | A | 0.0000 | |
| 165 | H | A | -1.7253 | |
| 166 | P | A | -1.1246 | |
| 167 | P | A | -0.9404 | |
| 168 | Y | A | 0.0000 | |
| 169 | K | A | -2.9085 | |
| 170 | Q | A | -2.5029 | |
| 171 | T | A | 0.0000 | |
| 172 | Q | A | -0.9108 | |
| 173 | P | A | -0.6349 | |
| 174 | G | A | -0.4994 | |
| 175 | A | A | -0.2921 | |
| 176 | G | A | 0.0000 | |
| 177 | S | A | -0.5500 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -0.8970 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.6982 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | -1.5535 | |
| 184 | D | A | -2.2410 | |
| 185 | N | A | -0.7059 | |
| 186 | L | A | 0.8070 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.1374 | |
| 189 | D | A | -0.9911 | |
| 190 | A | A | -0.5753 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.3795 | |
| 194 | L | A | -0.2115 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -1.9155 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -0.9967 | |
| 201 | G | A | -1.5147 | |
| 202 | S | A | 0.0000 | |
| 203 | G | A | -0.9944 | |
| 204 | T | A | -0.9100 | |
| 205 | E | A | 0.0000 | |
| 206 | D | A | 0.0000 | |
| 207 | S | A | -1.3165 | |
| 208 | H | A | -1.7863 | |
| 209 | P | A | -1.3332 | |
| 210 | P | A | -0.9255 | |
| 211 | Y | A | -1.1030 | |
| 212 | K | A | -2.3680 | |
| 213 | Q | A | -2.0881 | |
| 214 | T | A | -1.2613 | |
| 215 | Q | A | -1.3133 | |
| 216 | P | A | -0.7181 | |
| 217 | G | A | -0.6327 | |
| 218 | A | A | -0.5255 | |
| 219 | G | A | -0.4040 | |
| 220 | S | A | -0.5527 | |
| 221 | G | A | -0.5140 | |
| 222 | K | A | -0.7049 | |
| 223 | L | A | -0.2908 | |
| 224 | Q | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.7147 | |
| 227 | Y | A | -0.9486 | |
| 228 | C | A | -0.2618 | |
| 229 | S | A | -0.7469 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.0747 | |
| 232 | A | A | -1.0875 | |
| 233 | A | A | -0.9152 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -1.9980 | |
| 237 | P | A | -1.5291 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | -1.4967 | |
| 240 | S | A | -1.4328 | |
| 241 | V | A | -0.9654 | |
| 242 | L | A | -1.5421 | |
| 243 | R | A | -2.6088 | |
| 244 | A | A | -1.3019 | |
| 245 | G | A | -1.2674 | |
| 246 | S | A | -1.4807 | |
| 247 | G | A | -1.8823 | |
| 248 | T | A | 0.0000 | |
| 249 | E | A | -2.6202 | |
| 250 | D | A | 0.0000 | |
| 251 | S | A | -1.2293 | |
| 252 | H | A | 0.0000 | |
| 253 | P | A | -0.3973 | |
| 254 | P | A | -0.0203 | |
| 255 | Y | A | 0.0267 | |
| 256 | K | A | -1.7416 | |
| 257 | Q | A | -1.7692 | |
| 258 | T | A | -1.5616 | |
| 259 | Q | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | G | A | -1.0039 | |
| 262 | A | A | -0.7481 | |
| 263 | G | A | -0.9285 | |
| 264 | S | A | -0.9123 | |
| 265 | G | A | -0.8216 | |
| 266 | E | A | -0.8437 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -2.1269 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -2.2269 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -1.6473 | |
| 276 | E | A | -1.9035 | |
| 277 | A | A | -0.8039 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -1.7781 | |
| 281 | V | A | -1.1137 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.1914 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -2.3093 | |
| 288 | D | A | -2.9888 | |
| 289 | G | A | -2.5216 | |
| 290 | S | A | -1.9479 | |
| 291 | G | A | -1.6681 | |
| 292 | T | A | -1.3658 | |
| 293 | E | A | -1.7932 | |
| 294 | D | A | -2.3015 | |
| 295 | S | A | -1.2708 | |
| 296 | H | A | -1.0338 | |
| 297 | P | A | -0.5795 | |
| 298 | P | A | -0.0216 | |
| 299 | Y | A | -0.3651 | |
| 300 | K | A | 0.0000 | |
| 301 | Q | A | -2.0075 | |
| 302 | T | A | 0.0000 | |
| 303 | Q | A | -2.0380 | |
| 304 | P | A | 0.0000 | |
| 305 | G | A | -0.8829 | |
| 306 | A | A | -0.6533 | |
| 307 | G | A | -0.7719 | |
| 308 | S | A | -0.7533 | |
| 309 | G | A | -0.8643 | |
| 310 | A | A | -0.7700 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -0.6548 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -1.3145 | |
| 315 | S | A | -1.5962 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.0550 | |
| 318 | V | A | -1.1432 | |
| 319 | T | A | -1.1746 | |
| 320 | S | A | -1.0761 | |
| 321 | D | A | -2.3631 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.5857 | |
| 325 | D | A | -1.7933 | |
| 326 | L | A | -0.9009 | |
| 327 | C | A | -0.5904 | |
| 328 | G | A | -0.6032 | |
| 329 | I | A | -0.4283 | |
| 330 | V | A | 0.1229 | |
| 331 | A | A | 0.2973 | |
| 332 | S | A | 0.0000 | |
| 333 | G | A | -0.5382 | |
| 334 | S | A | -0.2457 | |
| 335 | G | A | 0.0000 | |
| 336 | T | A | -0.6711 | |
| 337 | E | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | S | A | -1.1736 | |
| 340 | H | A | -1.2645 | |
| 341 | P | A | -0.9002 | |
| 342 | P | A | -0.8326 | |
| 343 | Y | A | -1.2540 | |
| 344 | K | A | -2.2677 | |
| 345 | Q | A | 0.0000 | |
| 346 | T | A | -1.3069 | |
| 347 | Q | A | 0.0000 | |
| 348 | P | A | -0.6103 | |
| 349 | G | A | -0.6638 | |
| 350 | A | A | -0.7008 | |
| 351 | G | A | -0.8218 | |
| 352 | S | A | -0.7881 | |
| 353 | G | A | -0.7454 | |
| 354 | E | A | -0.8848 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.3113 | |
| 360 | N | A | 0.0000 | |
| 361 | K | A | -2.2863 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.5141 | |
| 364 | D | A | -0.3827 | |
| 365 | V | A | 0.9754 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.5013 | |
| 369 | E | A | -0.7201 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.3320 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.7402 | |
| 375 | L | A | 0.4450 | |
| 376 | G | A | 0.2443 | |
| 377 | S | A | 0.0000 | |
| 378 | G | A | -0.3654 | |
| 379 | T | A | 0.0000 | |
| 380 | G | A | -0.9828 | |
| 381 | N | A | -1.2975 | |
| 382 | E | A | -2.2882 | |
| 383 | N | A | -1.7675 | |
| 384 | S | A | -1.4041 | |
| 385 | H | A | -1.6536 | |
| 386 | P | A | -1.5057 | |
| 387 | P | A | -0.9897 | |
| 388 | Y | A | -0.4274 | |
| 389 | A | A | -0.6143 | |
| 390 | T | A | -0.5049 | |
| 391 | T | A | -0.8380 | |
| 392 | G | A | -0.8708 | |
| 393 | S | A | -1.0530 | |
| 394 | G | A | -0.9891 | |
| 395 | T | A | -0.8015 | |
| 396 | L | A | -0.1630 | |
| 397 | W | A | -0.0405 | |
| 398 | I | A | 0.0000 | |
| 399 | W | A | 0.0000 | |
| 400 | E | A | -1.9843 | |
| 401 | C | A | -1.8906 | |
| 402 | G | A | -1.7374 | |
| 403 | I | A | 0.0000 | |
| 404 | T | A | -1.5405 | |
| 405 | A | A | -1.5710 | |
| 406 | K | A | -1.8939 | |
| 407 | G | A | 0.0000 | |
| 408 | C | A | 0.0000 | |
| 409 | G | A | -1.6752 | |
| 410 | D | A | -1.4235 | |
| 411 | L | A | 0.0000 | |
| 412 | C | A | -1.7268 | |
| 413 | R | A | -2.3731 | |
| 414 | V | A | 0.0000 | |
| 415 | L | A | -1.3019 | |
| 416 | R | A | -2.6274 | |
| 417 | A | A | -1.4257 | |
| 418 | G | A | -1.1969 | |
| 419 | S | A | -1.1685 | |
| 420 | G | A | -1.3782 | |
| 421 | T | A | -1.5979 | |
| 422 | G | A | -1.7436 | |
| 423 | N | A | -2.0435 | |
| 424 | E | A | -1.8300 | |
| 425 | N | A | -2.2633 | |
| 426 | S | A | 0.0000 | |
| 427 | H | A | -1.4069 | |
| 428 | P | A | -0.8675 | |
| 429 | P | A | -0.2099 | |
| 430 | Y | A | 0.9549 | |
| 431 | A | A | 0.6184 | |
| 432 | T | A | 0.1477 | |
| 433 | T | A | -0.3495 | |
| 434 | G | A | -0.8020 | |
| 435 | S | A | -1.0324 | |
| 436 | G | A | -1.3553 | |
| 437 | E | A | -1.7223 | |
| 438 | L | A | -0.3810 | |
| 439 | S | A | -0.1115 | |
| 440 | L | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | G | A | 0.0000 | |
| 443 | N | A | -2.6004 | |
| 444 | E | A | -2.6510 | |
| 445 | L | A | 0.0000 | |
| 446 | G | A | -1.8643 | |
| 447 | D | A | -1.8718 | |
| 448 | E | A | -2.5030 | |
| 449 | G | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | R | A | -2.0051 | |
| 452 | L | A | -1.3371 | |
| 453 | L | A | 0.0000 | |
| 454 | C | A | 0.0000 | |
| 455 | E | A | -1.8471 | |
| 456 | T | A | -1.4157 | |
| 457 | L | A | -0.4599 | |
| 458 | L | A | -0.1763 | |
| 459 | G | A | -0.6898 | |
| 460 | S | A | -0.8391 | |
| 461 | G | A | 0.0000 | |
| 462 | T | A | -0.4737 | |
| 463 | G | A | 0.0000 | |
| 464 | N | A | -0.6494 | |
| 465 | E | A | -0.5870 | |
| 466 | N | A | 0.0000 | |
| 467 | S | A | -0.5422 | |
| 468 | H | A | -1.0657 | |
| 469 | P | A | -1.1291 | |
| 470 | P | A | 0.0000 | |
| 471 | Y | A | -0.5377 | |
| 472 | A | A | -0.0853 | |
| 473 | T | A | 0.0000 | |
| 474 | T | A | -0.1954 | |
| 475 | G | A | -0.7663 | |
| 476 | S | A | -0.9751 | |
| 477 | G | A | -1.0431 | |
| 478 | S | A | -1.0202 | |
| 479 | L | A | 0.0000 | |
| 480 | W | A | -0.0935 | |
| 481 | V | A | 0.0000 | |
| 482 | K | A | -1.1141 | |
| 483 | S | A | -1.9016 | |
| 484 | C | A | 0.0000 | |
| 485 | S | A | -1.9907 | |
| 486 | F | A | 0.0000 | |
| 487 | T | A | -1.1246 | |
| 488 | A | A | -0.8965 | |
| 489 | A | A | -0.5366 | |
| 490 | C | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | S | A | -0.7757 | |
| 493 | H | A | -0.9424 | |
| 494 | F | A | 0.0000 | |
| 495 | S | A | 0.0000 | |
| 496 | S | A | -0.3489 | |
| 497 | V | A | -0.0056 | |
| 498 | L | A | -0.0590 | |
| 499 | A | A | -0.3948 | |
| 500 | Q | A | -0.2116 | |
| 501 | G | A | -0.1738 | |
| 502 | S | A | -0.4436 | |
| 503 | G | A | -1.0646 | |
| 504 | T | A | 0.0000 | |
| 505 | G | A | 0.0000 | |
| 506 | N | A | 0.0000 | |
| 507 | E | A | -2.6480 | |
| 508 | N | A | -2.2557 | |
| 509 | S | A | -1.3670 | |
| 510 | H | A | 0.0000 | |
| 511 | P | A | -0.7512 | |
| 512 | P | A | -0.3241 | |
| 513 | Y | A | 0.0000 | |
| 514 | A | A | -0.0679 | |
| 515 | T | A | 0.0000 | |
| 516 | T | A | -0.2624 | |
| 517 | G | A | -0.4574 | |
| 518 | S | A | -0.5455 | |
| 519 | G | A | -0.7399 | |
| 520 | E | A | -1.0787 | |
| 521 | L | A | 0.0000 | |
| 522 | Q | A | -0.3316 | |
| 523 | I | A | 0.0000 | |
| 524 | S | A | -1.0751 | |
| 525 | N | A | 0.0000 | |
| 526 | N | A | -2.4328 | |
| 527 | R | A | -2.8574 | |
| 528 | L | A | 0.0000 | |
| 529 | E | A | -2.4181 | |
| 530 | D | A | -2.2499 | |
| 531 | A | A | -1.2391 | |
| 532 | G | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | R | A | -2.1301 | |
| 535 | E | A | -1.7586 | |
| 536 | L | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | Q | A | -1.7333 | |
| 539 | G | A | 0.0000 | |
| 540 | L | A | -0.3138 | |
| 541 | G | A | -0.6352 | |
| 542 | G | A | -1.0048 | |
| 543 | S | A | -0.7043 | |
| 544 | G | A | -0.5734 | |
| 545 | T | A | -0.9101 | |
| 546 | G | A | -1.3268 | |
| 547 | N | A | 0.0000 | |
| 548 | E | A | -2.8732 | |
| 549 | N | A | -2.1052 | |
| 550 | S | A | -1.3488 | |
| 551 | H | A | 0.0000 | |
| 552 | P | A | -0.6924 | |
| 553 | P | A | -0.2739 | |
| 554 | Y | A | 0.0000 | |
| 555 | A | A | 0.0841 | |
| 556 | T | A | 0.0000 | |
| 557 | T | A | -0.2406 | |
| 558 | G | A | -0.3648 | |
| 559 | S | A | -0.5922 | |
| 560 | G | A | -0.4693 | |
| 561 | V | A | -0.3814 | |
| 562 | L | A | 0.0000 | |
| 563 | W | A | -0.2952 | |
| 564 | L | A | 0.0000 | |
| 565 | A | A | -1.4282 | |
| 566 | D | A | -2.6336 | |
| 567 | C | A | 0.0000 | |
| 568 | D | A | -1.8749 | |
| 569 | V | A | 0.0000 | |
| 570 | S | A | -1.0990 | |
| 571 | D | A | -1.4883 | |
| 572 | S | A | -1.2333 | |
| 573 | S | A | 0.0000 | |
| 574 | C | A | 0.0000 | |
| 575 | S | A | -0.7814 | |
| 576 | S | A | -0.7386 | |
| 577 | L | A | 0.0000 | |
| 578 | A | A | 0.0000 | |
| 579 | A | A | 0.3999 | |
| 580 | T | A | 0.0000 | |
| 581 | L | A | 0.8923 | |
| 582 | L | A | 1.0189 | |
| 583 | A | A | 0.6256 | |
| 584 | G | A | 0.1923 | |
| 585 | S | A | -0.2841 | |
| 586 | G | A | 0.0000 | |
| 587 | T | A | -0.3504 | |
| 588 | G | A | 0.0000 | |
| 589 | N | A | -2.3515 | |
| 590 | E | A | 0.0000 | |
| 591 | N | A | -2.4803 | |
| 592 | S | A | -1.6333 | |
| 593 | H | A | 0.0000 | |
| 594 | P | A | -0.3739 | |
| 595 | P | A | -0.1514 | |
| 596 | Y | A | 0.2768 | |
| 597 | A | A | 0.1674 | |
| 598 | T | A | 0.0000 | |
| 599 | T | A | -0.3037 | |
| 600 | G | A | -0.5900 | |
| 601 | S | A | -0.5698 | |
| 602 | G | A | -0.6984 | |
| 603 | E | A | -0.8203 | |
| 604 | L | A | 0.0000 | |
| 605 | D | A | -0.2751 | |
| 606 | L | A | 0.0000 | |
| 607 | S | A | -1.1950 | |
| 608 | N | A | -2.0322 | |
| 609 | N | A | 0.0000 | |
| 610 | C | A | -0.0275 | |
| 611 | L | A | 0.0000 | |
| 612 | G | A | -0.3002 | |
| 613 | D | A | -0.4434 | |
| 614 | A | A | -0.5644 | |
| 615 | G | A | 0.0000 | |
| 616 | I | A | 0.0000 | |
| 617 | L | A | -0.9064 | |
| 618 | Q | A | -1.2675 | |
| 619 | L | A | 0.0000 | |
| 620 | V | A | 0.0000 | |
| 621 | E | A | -2.1414 | |
| 622 | S | A | 0.0000 | |
| 623 | V | A | 0.0000 | |
| 624 | R | A | -2.6119 | |
| 625 | G | A | -1.3296 | |
| 626 | S | A | -0.8455 | |
| 627 | G | A | -1.5458 | |
| 628 | T | A | -1.5659 | |
| 629 | G | A | -1.8628 | |
| 630 | N | A | 0.0000 | |
| 631 | E | A | -2.6449 | |
| 632 | N | A | -2.2464 | |
| 633 | S | A | -1.4420 | |
| 634 | H | A | 0.0000 | |
| 635 | P | A | -0.5554 | |
| 636 | P | A | -0.3507 | |
| 637 | Y | A | 0.0000 | |
| 638 | A | A | 0.0921 | |
| 639 | T | A | 0.0000 | |
| 640 | T | A | -0.3748 | |
| 641 | G | A | -0.6569 | |
| 642 | S | A | -0.6554 | |
| 643 | G | A | 0.0000 | |
| 644 | Q | A | -0.7578 | |
| 645 | L | A | 0.0000 | |
| 646 | V | A | 0.1642 | |
| 647 | L | A | 0.0000 | |
| 648 | Y | A | -0.1136 | |
| 649 | D | A | -1.3155 | |
| 650 | I | A | 0.0000 | |
| 651 | Y | A | 1.0719 | |
| 652 | W | A | -0.1513 | |
| 653 | S | A | -1.4543 | |
| 654 | E | A | -3.6228 | |
| 655 | E | A | -4.2349 | |
| 656 | M | A | 0.0000 | |
| 657 | E | A | -4.2992 | |
| 658 | D | A | -4.7501 | |
| 659 | R | A | -4.1963 | |
| 660 | L | A | 0.0000 | |
| 661 | Q | A | -3.8180 | |
| 662 | A | A | -2.8347 | |
| 663 | L | A | 0.0000 | |
| 664 | E | A | -3.1798 | |
| 665 | K | A | -3.3184 | |
| 666 | D | A | -2.9295 | |
| 667 | G | A | 0.0000 | |
| 668 | S | A | -1.7739 | |
| 669 | G | A | -1.5995 | |
| 670 | T | A | -1.5416 | |
| 671 | G | A | -1.5718 | |
| 672 | N | A | -2.0755 | |
| 673 | E | A | -2.4572 | |
| 674 | N | A | -1.8195 | |
| 675 | S | A | -1.2841 | |
| 676 | H | A | -1.3760 | |
| 677 | P | A | -1.0029 | |
| 678 | P | A | -0.8603 | |
| 679 | Y | A | 0.0000 | |
| 680 | A | A | -0.8078 | |
| 681 | T | A | 0.0000 | |
| 682 | T | A | -1.2051 | |
| 683 | G | A | 0.0000 | |
| 684 | S | A | 0.0000 | |
| 685 | G | A | -1.8569 | |
| 686 | R | A | -1.6594 | |
| 687 | V | A | 0.0000 | |
| 688 | I | A | -0.3261 | |
| 689 | S | A | -0.0677 |
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, -0.8414 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_6 | -0.8414 | View | CSV | PDB |
| model_1 | -0.844 | View | CSV | PDB |
| model_9 | -0.8452 | View | CSV | PDB |
| model_2 | -0.847 | View | CSV | PDB |
| model_7 | -0.8502 | View | CSV | PDB |
| model_0 | -0.8556 | View | CSV | PDB |
| model_11 | -0.8742 | View | CSV | PDB |
| CABS_average | -0.8824 | View | CSV | PDB |
| model_8 | -0.8832 | View | CSV | PDB |
| model_3 | -0.9057 | View | CSV | PDB |
| model_4 | -0.9159 | View | CSV | PDB |
| model_5 | -0.9611 | View | CSV | PDB |
| model_10 | -0.9648 | View | CSV | PDB |
| input | -1.0744 | 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