Project name: C13_A16_EF_A2_EF_GSG
Status: done
Started: 2026-07-21 11:04:16
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTGNENSHPPYATTGSGVRLDDCGLTEARCKDISSALRVGSGTGNENSHPPYATTGSGELNLRSNELGDVGVHCVLQGLQGSGTGNENSHPPYATTGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTGNENSHPPYATTGSGELHLSDNLLGDAGLQLLCEGLLGSGTGNENSHPPYATTGSGKLQLEYCSLSAASCEPLASVLRAGSGTGNENSHPPYATTGSGELTVSNNDINEAGVRVLCQGLKDGSGTGNENSHPPYATTGSGALKLESCGVTSDNCRDLCGIVASGSGTGNENSHPPYATTGSGELALGSNKLGDVGMAELCPGLLGSGDATQKPNTAKHPALEATQPGGSGTLWIWECGITAKGCGDLCRVLRAGSGDATQKPNTAKHPALEATQPGGSGELSLAGNELGDEGARLLCETLLGSGDATQKPNTAKHPALEATQPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGDATQKPNTAKHPALEATQPGGSGELQISNNRLEDAGVRELCQGLGGSGDATQKPNTAKHPALEATQPGGSGVLWLADCDVSDSSCSSLAATLLAGSGDATQKPNTAKHPALEATQPGGSGELDLSNNCLGDAGILQLVESVRGSGDATQKPNTAKHPALEATQPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGDATQKPNTAKHPALEATQPGGSGRVIS
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 (00:10:06)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:38:29)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:38:36)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:38:43)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:38:50)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:38:57)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:39:03)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:39:10)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:39:16)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:39:23)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:39:30)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:39:38)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:39:45)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:39:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:40:09)
[INFO] Main: Simulation completed successfully. (02:40:16)
|
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
- -4.6787
- Maximal score value
- 2.134
- Average score
- -0.7752
- Total score value
- -565.1505
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 | 0.0000 | |
| 2 | L | A | 1.7049 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 2.1340 | |
| 5 | Q | A | 0.7240 | |
| 6 | S | A | -0.3165 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.5615 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.9063 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -2.5054 | |
| 13 | E | A | -2.0928 | |
| 14 | L | A | -0.8321 | |
| 15 | S | A | -1.4474 | |
| 16 | D | A | -2.0842 | |
| 17 | A | A | -1.7386 | |
| 18 | R | A | -2.3137 | |
| 19 | W | A | -1.2082 | |
| 20 | A | A | -0.7441 | |
| 21 | E | A | -1.1454 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 1.0846 | |
| 24 | P | A | 0.5296 | |
| 25 | L | A | 1.4516 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.7339 | |
| 28 | G | A | 0.7302 | |
| 29 | S | A | 0.6376 | |
| 30 | G | A | -0.2856 | |
| 31 | T | A | -0.6120 | |
| 32 | G | A | -1.4717 | |
| 33 | N | A | -2.3335 | |
| 34 | E | A | -3.2230 | |
| 35 | N | A | 0.0000 | |
| 36 | S | A | -1.4193 | |
| 37 | H | A | -0.9653 | |
| 38 | P | A | -0.0099 | |
| 39 | P | A | -0.1618 | |
| 40 | Y | A | 0.0000 | |
| 41 | A | A | 0.1306 | |
| 42 | T | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | G | A | 0.0902 | |
| 45 | S | A | -0.2145 | |
| 46 | G | A | -0.8491 | |
| 47 | V | A | 0.0000 | |
| 48 | R | A | -2.9150 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -3.3875 | |
| 51 | D | A | -3.4239 | |
| 52 | C | A | 0.0000 | |
| 53 | G | A | -2.4729 | |
| 54 | L | A | 0.0000 | |
| 55 | T | A | -1.4068 | |
| 56 | E | A | -1.9397 | |
| 57 | A | A | -1.3537 | |
| 58 | R | A | 0.0000 | |
| 59 | C | A | 0.0000 | |
| 60 | K | A | -2.2231 | |
| 61 | D | A | -1.0872 | |
| 62 | I | A | 0.0000 | |
| 63 | S | A | 0.0000 | |
| 64 | S | A | -1.0408 | |
| 65 | A | A | 0.0000 | |
| 66 | L | A | -0.5137 | |
| 67 | R | A | -1.2494 | |
| 68 | V | A | -0.2830 | |
| 69 | G | A | 0.0000 | |
| 70 | S | A | -0.1250 | |
| 71 | G | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | G | A | -1.6030 | |
| 74 | N | A | -2.9101 | |
| 75 | E | A | -3.7820 | |
| 76 | N | A | -3.2314 | |
| 77 | S | A | -2.3920 | |
| 78 | H | A | 0.0000 | |
| 79 | P | A | -0.7683 | |
| 80 | P | A | -0.6577 | |
| 81 | Y | A | 0.0000 | |
| 82 | A | A | -0.2289 | |
| 83 | T | A | -0.3827 | |
| 84 | T | A | -0.5611 | |
| 85 | G | A | -0.8490 | |
| 86 | S | A | -0.8583 | |
| 87 | G | A | -0.7237 | |
| 88 | E | A | -1.0166 | |
| 89 | L | A | -0.8398 | |
| 90 | N | A | -1.7456 | |
| 91 | L | A | 0.0000 | |
| 92 | R | A | -3.3593 | |
| 93 | S | A | -3.0378 | |
| 94 | N | A | -3.4449 | |
| 95 | E | A | -3.0292 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | -0.6936 | |
| 98 | D | A | -0.2273 | |
| 99 | V | A | 0.7270 | |
| 100 | G | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | H | A | -0.4307 | |
| 103 | C | A | -0.7470 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | Q | A | -1.2643 | |
| 107 | G | A | 0.0000 | |
| 108 | L | A | -0.5747 | |
| 109 | Q | A | -1.2367 | |
| 110 | G | A | -1.0881 | |
| 111 | S | A | -0.9558 | |
| 112 | G | A | -0.9591 | |
| 113 | T | A | -1.1650 | |
| 114 | G | A | -1.5880 | |
| 115 | N | A | 0.0000 | |
| 116 | E | A | -2.9745 | |
| 117 | N | A | -1.8650 | |
| 118 | S | A | -1.0668 | |
| 119 | H | A | -0.8867 | |
| 120 | P | A | -0.8055 | |
| 121 | P | A | -0.6410 | |
| 122 | Y | A | 0.0000 | |
| 123 | A | A | -0.2625 | |
| 124 | T | A | -0.3836 | |
| 125 | T | A | -0.7475 | |
| 126 | G | A | -0.8627 | |
| 127 | S | A | -0.9168 | |
| 128 | G | A | 0.0000 | |
| 129 | K | A | -1.1028 | |
| 130 | L | A | -0.3433 | |
| 131 | S | A | -0.8748 | |
| 132 | L | A | 0.0000 | |
| 133 | Q | A | -2.1286 | |
| 134 | N | A | -2.5557 | |
| 135 | C | A | 0.0000 | |
| 136 | C | A | -0.8699 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | 0.2925 | |
| 139 | G | A | -0.4181 | |
| 140 | A | A | -0.0518 | |
| 141 | G | A | 0.0000 | |
| 142 | C | A | 0.0000 | |
| 143 | G | A | -0.3337 | |
| 144 | V | A | -0.1016 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | S | A | -1.0367 | |
| 148 | T | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | R | A | -2.1460 | |
| 151 | T | A | -1.4750 | |
| 152 | G | A | -1.1592 | |
| 153 | S | A | -1.0462 | |
| 154 | G | A | -0.6905 | |
| 155 | T | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | N | A | -2.5884 | |
| 158 | E | A | -2.3102 | |
| 159 | N | A | -2.2168 | |
| 160 | S | A | -1.3995 | |
| 161 | H | A | 0.0000 | |
| 162 | P | A | -0.7657 | |
| 163 | P | A | -0.9609 | |
| 164 | Y | A | -0.3968 | |
| 165 | A | A | -0.0936 | |
| 166 | T | A | -0.3026 | |
| 167 | T | A | -0.5596 | |
| 168 | G | A | -0.8068 | |
| 169 | S | A | -0.9331 | |
| 170 | G | A | -0.9767 | |
| 171 | E | A | -1.0926 | |
| 172 | L | A | 0.0000 | |
| 173 | H | A | -0.9553 | |
| 174 | L | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | D | A | -1.2719 | |
| 177 | N | A | 0.0000 | |
| 178 | L | A | 0.8692 | |
| 179 | L | A | 0.2962 | |
| 180 | G | A | -0.4299 | |
| 181 | D | A | -1.4803 | |
| 182 | A | A | -0.7075 | |
| 183 | G | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | Q | A | -1.4063 | |
| 186 | L | A | -0.5149 | |
| 187 | L | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | E | A | -1.7139 | |
| 190 | G | A | 0.0000 | |
| 191 | L | A | -0.5485 | |
| 192 | L | A | -0.0744 | |
| 193 | G | A | -0.8577 | |
| 194 | S | A | -1.3041 | |
| 195 | G | A | -1.2768 | |
| 196 | T | A | -1.5514 | |
| 197 | G | A | -1.5771 | |
| 198 | N | A | -1.9276 | |
| 199 | E | A | -2.8319 | |
| 200 | N | A | -2.2689 | |
| 201 | S | A | -1.7230 | |
| 202 | H | A | -1.3297 | |
| 203 | P | A | -1.1676 | |
| 204 | P | A | -0.4729 | |
| 205 | Y | A | -0.5263 | |
| 206 | A | A | 0.0000 | |
| 207 | T | A | 0.0166 | |
| 208 | T | A | -0.2994 | |
| 209 | G | A | -0.6814 | |
| 210 | S | A | -0.8496 | |
| 211 | G | A | -1.0297 | |
| 212 | K | A | -1.2130 | |
| 213 | L | A | 0.0000 | |
| 214 | Q | A | -0.6390 | |
| 215 | L | A | 0.0000 | |
| 216 | E | A | -0.2944 | |
| 217 | Y | A | 0.2247 | |
| 218 | C | A | 0.3930 | |
| 219 | S | A | 0.0479 | |
| 220 | L | A | -0.0113 | |
| 221 | S | A | -0.7282 | |
| 222 | A | A | -1.1586 | |
| 223 | A | A | -1.2423 | |
| 224 | S | A | 0.0000 | |
| 225 | C | A | 0.0000 | |
| 226 | E | A | -1.9872 | |
| 227 | P | A | -1.4075 | |
| 228 | L | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | S | A | -1.2334 | |
| 231 | V | A | -0.5752 | |
| 232 | L | A | -1.0746 | |
| 233 | R | A | -2.1794 | |
| 234 | A | A | -0.7629 | |
| 235 | G | A | -0.6920 | |
| 236 | S | A | -1.1780 | |
| 237 | G | A | 0.0000 | |
| 238 | T | A | -0.9667 | |
| 239 | G | A | 0.0000 | |
| 240 | N | A | -2.5764 | |
| 241 | E | A | -3.0503 | |
| 242 | N | A | -2.9364 | |
| 243 | S | A | -1.8431 | |
| 244 | H | A | -1.6464 | |
| 245 | P | A | 0.0000 | |
| 246 | P | A | -0.6914 | |
| 247 | Y | A | 0.0000 | |
| 248 | A | A | 0.3770 | |
| 249 | T | A | 0.3080 | |
| 250 | T | A | -0.0405 | |
| 251 | G | A | -0.5157 | |
| 252 | S | A | -0.8002 | |
| 253 | G | A | -0.8555 | |
| 254 | E | A | -0.9484 | |
| 255 | L | A | -0.2513 | |
| 256 | T | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | N | A | -0.3682 | |
| 260 | N | A | 0.0000 | |
| 261 | D | A | -0.5004 | |
| 262 | I | A | -1.1028 | |
| 263 | N | A | -1.8854 | |
| 264 | E | A | -2.4497 | |
| 265 | A | A | -1.4877 | |
| 266 | G | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | R | A | -2.1479 | |
| 269 | V | A | -1.5633 | |
| 270 | L | A | 0.0000 | |
| 271 | C | A | 0.0000 | |
| 272 | Q | A | -2.1048 | |
| 273 | G | A | 0.0000 | |
| 274 | L | A | -1.4925 | |
| 275 | K | A | -2.5431 | |
| 276 | D | A | -2.3786 | |
| 277 | G | A | -1.7054 | |
| 278 | S | A | -1.2924 | |
| 279 | G | A | -1.4285 | |
| 280 | T | A | -1.3834 | |
| 281 | G | A | -1.9057 | |
| 282 | N | A | -1.8568 | |
| 283 | E | A | -2.5316 | |
| 284 | N | A | 0.0000 | |
| 285 | S | A | -2.0140 | |
| 286 | H | A | -1.7493 | |
| 287 | P | A | 0.0000 | |
| 288 | P | A | 0.1600 | |
| 289 | Y | A | 1.2236 | |
| 290 | A | A | 0.7793 | |
| 291 | T | A | 0.7118 | |
| 292 | T | A | 0.2741 | |
| 293 | G | A | 0.0000 | |
| 294 | S | A | -0.6408 | |
| 295 | G | A | -0.6025 | |
| 296 | A | A | -0.4238 | |
| 297 | L | A | 0.0524 | |
| 298 | K | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | E | A | 0.0000 | |
| 301 | S | A | -0.6438 | |
| 302 | C | A | 0.0000 | |
| 303 | G | A | -1.1439 | |
| 304 | V | A | 0.0000 | |
| 305 | T | A | -1.2239 | |
| 306 | S | A | -1.4387 | |
| 307 | D | A | -2.8322 | |
| 308 | N | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | R | A | -2.1770 | |
| 311 | D | A | -1.9193 | |
| 312 | L | A | -1.0637 | |
| 313 | C | A | -0.7401 | |
| 314 | G | A | -0.8298 | |
| 315 | I | A | -0.6537 | |
| 316 | V | A | -0.2367 | |
| 317 | A | A | -0.1346 | |
| 318 | S | A | -0.5518 | |
| 319 | G | A | -0.5455 | |
| 320 | S | A | -0.1173 | |
| 321 | G | A | -0.1826 | |
| 322 | T | A | -0.5169 | |
| 323 | G | A | -0.8360 | |
| 324 | N | A | -1.9977 | |
| 325 | E | A | -2.2575 | |
| 326 | N | A | -2.4826 | |
| 327 | S | A | -1.3951 | |
| 328 | H | A | -1.7614 | |
| 329 | P | A | 0.0000 | |
| 330 | P | A | -0.0910 | |
| 331 | Y | A | 0.7709 | |
| 332 | A | A | 0.3923 | |
| 333 | T | A | -0.1930 | |
| 334 | T | A | -0.4732 | |
| 335 | G | A | -0.6010 | |
| 336 | S | A | -0.5553 | |
| 337 | G | A | -0.5829 | |
| 338 | E | A | -0.5207 | |
| 339 | L | A | 0.0088 | |
| 340 | A | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | N | A | -1.6317 | |
| 345 | K | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | G | A | -0.1435 | |
| 348 | D | A | -0.2555 | |
| 349 | V | A | 0.9165 | |
| 350 | G | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | A | A | -0.4008 | |
| 353 | E | A | -0.9352 | |
| 354 | L | A | 0.0000 | |
| 355 | C | A | 0.0000 | |
| 356 | P | A | -0.5997 | |
| 357 | G | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | L | A | -0.4586 | |
| 360 | G | A | -0.4162 | |
| 361 | S | A | -0.4736 | |
| 362 | G | A | -0.9578 | |
| 363 | D | A | -1.2409 | |
| 364 | A | A | -1.2117 | |
| 365 | T | A | -1.3547 | |
| 366 | Q | A | -2.3050 | |
| 367 | K | A | -2.5377 | |
| 368 | P | A | -2.2413 | |
| 369 | N | A | -1.7412 | |
| 370 | T | A | -1.2583 | |
| 371 | A | A | -1.2702 | |
| 372 | K | A | -2.3002 | |
| 373 | H | A | -1.7556 | |
| 374 | P | A | -1.0232 | |
| 375 | A | A | -0.8057 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | -1.6279 | |
| 378 | A | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | Q | A | -1.1823 | |
| 381 | P | A | -0.8039 | |
| 382 | G | A | -0.7958 | |
| 383 | G | A | -0.7606 | |
| 384 | S | A | -0.7637 | |
| 385 | G | A | -0.7174 | |
| 386 | T | A | -0.5836 | |
| 387 | L | A | 0.0000 | |
| 388 | W | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | W | A | -0.5638 | |
| 391 | E | A | -1.3589 | |
| 392 | C | A | -1.3273 | |
| 393 | G | A | -1.2780 | |
| 394 | I | A | 0.0000 | |
| 395 | T | A | -1.4957 | |
| 396 | A | A | -1.8203 | |
| 397 | K | A | -1.7488 | |
| 398 | G | A | 0.0000 | |
| 399 | C | A | 0.0000 | |
| 400 | G | A | -1.3446 | |
| 401 | D | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | C | A | 0.0000 | |
| 404 | R | A | -1.9718 | |
| 405 | V | A | 0.0000 | |
| 406 | L | A | -1.2994 | |
| 407 | R | A | -2.3551 | |
| 408 | A | A | 0.0000 | |
| 409 | G | A | -1.1778 | |
| 410 | S | A | -1.0488 | |
| 411 | G | A | -1.1981 | |
| 412 | D | A | 0.0000 | |
| 413 | A | A | 0.0000 | |
| 414 | T | A | -1.6598 | |
| 415 | Q | A | 0.0000 | |
| 416 | K | A | -3.1068 | |
| 417 | P | A | 0.0000 | |
| 418 | N | A | -2.2478 | |
| 419 | T | A | -2.0468 | |
| 420 | A | A | -1.3644 | |
| 421 | K | A | -2.4387 | |
| 422 | H | A | -2.3529 | |
| 423 | P | A | -1.6081 | |
| 424 | A | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -2.4133 | |
| 427 | A | A | -1.6435 | |
| 428 | T | A | 0.0000 | |
| 429 | Q | A | -0.7332 | |
| 430 | P | A | -0.6274 | |
| 431 | G | A | -0.6836 | |
| 432 | G | A | -0.7692 | |
| 433 | S | A | -0.6929 | |
| 434 | G | A | -0.8286 | |
| 435 | E | A | -0.8332 | |
| 436 | L | A | 0.0000 | |
| 437 | S | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | G | A | -1.3724 | |
| 441 | N | A | 0.0000 | |
| 442 | E | A | -1.9617 | |
| 443 | L | A | 0.0000 | |
| 444 | G | A | -1.5683 | |
| 445 | D | A | -1.8147 | |
| 446 | E | A | -2.7567 | |
| 447 | G | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | R | A | -1.8828 | |
| 450 | L | A | -1.2442 | |
| 451 | L | A | -0.8121 | |
| 452 | C | A | 0.0000 | |
| 453 | E | A | -1.3225 | |
| 454 | T | A | 0.0000 | |
| 455 | L | A | -0.3732 | |
| 456 | L | A | -0.2468 | |
| 457 | G | A | -0.8826 | |
| 458 | S | A | -0.9436 | |
| 459 | G | A | -0.8789 | |
| 460 | D | A | -1.0331 | |
| 461 | A | A | -0.6496 | |
| 462 | T | A | 0.0000 | |
| 463 | Q | A | -0.8546 | |
| 464 | K | A | -1.0237 | |
| 465 | P | A | 0.0000 | |
| 466 | N | A | -1.0281 | |
| 467 | T | A | -1.1998 | |
| 468 | A | A | -1.6063 | |
| 469 | K | A | -2.1882 | |
| 470 | H | A | -1.7935 | |
| 471 | P | A | -0.8948 | |
| 472 | A | A | -0.7809 | |
| 473 | L | A | 0.0000 | |
| 474 | E | A | -0.9984 | |
| 475 | A | A | 0.0000 | |
| 476 | T | A | -0.8444 | |
| 477 | Q | A | 0.0000 | |
| 478 | P | A | -0.7407 | |
| 479 | G | A | -0.7996 | |
| 480 | G | A | -0.8015 | |
| 481 | S | A | -0.7675 | |
| 482 | G | A | -0.7459 | |
| 483 | S | A | -0.4331 | |
| 484 | L | A | 0.0000 | |
| 485 | W | A | 0.0000 | |
| 486 | V | A | -0.2550 | |
| 487 | K | A | 0.0000 | |
| 488 | S | A | -1.4675 | |
| 489 | C | A | 0.0000 | |
| 490 | S | A | -1.5214 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.9109 | |
| 493 | A | A | -1.0670 | |
| 494 | A | A | -0.5132 | |
| 495 | C | A | 0.0000 | |
| 496 | C | A | 0.0000 | |
| 497 | S | A | -0.8499 | |
| 498 | H | A | -0.6965 | |
| 499 | F | A | 0.0000 | |
| 500 | S | A | 0.0000 | |
| 501 | S | A | -0.6898 | |
| 502 | V | A | 0.0000 | |
| 503 | L | A | -0.3562 | |
| 504 | A | A | -0.8120 | |
| 505 | Q | A | -0.9180 | |
| 506 | G | A | -0.9065 | |
| 507 | S | A | -0.8403 | |
| 508 | G | A | -0.6899 | |
| 509 | D | A | 0.0000 | |
| 510 | A | A | -0.8079 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | -1.9295 | |
| 513 | K | A | 0.0000 | |
| 514 | P | A | -1.4659 | |
| 515 | N | A | -1.5907 | |
| 516 | T | A | -1.4207 | |
| 517 | A | A | 0.0000 | |
| 518 | K | A | -2.5256 | |
| 519 | H | A | 0.0000 | |
| 520 | P | A | -1.2505 | |
| 521 | A | A | -0.9105 | |
| 522 | L | A | 0.0000 | |
| 523 | E | A | -1.7916 | |
| 524 | A | A | 0.0000 | |
| 525 | T | A | -0.9632 | |
| 526 | Q | A | -1.2105 | |
| 527 | P | A | -0.8544 | |
| 528 | G | A | -0.9548 | |
| 529 | G | A | -0.9795 | |
| 530 | S | A | -0.7777 | |
| 531 | G | A | -0.6188 | |
| 532 | E | A | -0.4535 | |
| 533 | L | A | 0.0880 | |
| 534 | Q | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | S | A | 0.0000 | |
| 537 | N | A | -2.2463 | |
| 538 | N | A | 0.0000 | |
| 539 | R | A | -3.2024 | |
| 540 | L | A | 0.0000 | |
| 541 | E | A | -3.1828 | |
| 542 | D | A | -2.4900 | |
| 543 | A | A | -1.4557 | |
| 544 | G | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | R | A | -2.5226 | |
| 547 | E | A | -2.0488 | |
| 548 | L | A | 0.0000 | |
| 549 | C | A | 0.0000 | |
| 550 | Q | A | -1.9154 | |
| 551 | G | A | 0.0000 | |
| 552 | L | A | -0.6838 | |
| 553 | G | A | -0.6417 | |
| 554 | G | A | -1.0500 | |
| 555 | S | A | 0.0000 | |
| 556 | G | A | -0.8313 | |
| 557 | D | A | 0.0000 | |
| 558 | A | A | 0.0000 | |
| 559 | T | A | -0.8905 | |
| 560 | Q | A | 0.0000 | |
| 561 | K | A | -2.5912 | |
| 562 | P | A | -1.9506 | |
| 563 | N | A | 0.0000 | |
| 564 | T | A | -1.1135 | |
| 565 | A | A | -1.3659 | |
| 566 | K | A | -2.2411 | |
| 567 | H | A | 0.0000 | |
| 568 | P | A | -1.2973 | |
| 569 | A | A | -0.9397 | |
| 570 | L | A | 0.0000 | |
| 571 | E | A | -0.8689 | |
| 572 | A | A | 0.0000 | |
| 573 | T | A | 0.0000 | |
| 574 | Q | A | -0.7868 | |
| 575 | P | A | -0.8654 | |
| 576 | G | A | -0.9384 | |
| 577 | G | A | -0.7282 | |
| 578 | S | A | -0.6115 | |
| 579 | G | A | -0.4031 | |
| 580 | V | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | W | A | 0.0000 | |
| 583 | L | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | D | A | -2.2637 | |
| 586 | C | A | 0.0000 | |
| 587 | D | A | -2.6834 | |
| 588 | V | A | 0.0000 | |
| 589 | S | A | -0.7594 | |
| 590 | D | A | -0.7769 | |
| 591 | S | A | -0.9461 | |
| 592 | S | A | 0.0000 | |
| 593 | C | A | 0.0000 | |
| 594 | S | A | -0.7069 | |
| 595 | S | A | -0.8907 | |
| 596 | L | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | A | A | 0.3769 | |
| 599 | T | A | 0.1733 | |
| 600 | L | A | 0.0000 | |
| 601 | L | A | 0.9745 | |
| 602 | A | A | 0.3975 | |
| 603 | G | A | 0.0000 | |
| 604 | S | A | -0.3271 | |
| 605 | G | A | -0.4354 | |
| 606 | D | A | 0.0000 | |
| 607 | A | A | -0.8375 | |
| 608 | T | A | 0.0000 | |
| 609 | Q | A | -1.6887 | |
| 610 | K | A | 0.0000 | |
| 611 | P | A | -1.4326 | |
| 612 | N | A | -2.0878 | |
| 613 | T | A | 0.0000 | |
| 614 | A | A | -1.1627 | |
| 615 | K | A | -1.2631 | |
| 616 | H | A | 0.0000 | |
| 617 | P | A | 0.0763 | |
| 618 | A | A | 0.7734 | |
| 619 | L | A | 1.8278 | |
| 620 | E | A | 0.7403 | |
| 621 | A | A | 0.2725 | |
| 622 | T | A | 0.0000 | |
| 623 | Q | A | -0.8783 | |
| 624 | P | A | 0.0000 | |
| 625 | G | A | -0.9755 | |
| 626 | G | A | -0.7024 | |
| 627 | S | A | -0.5409 | |
| 628 | G | A | -0.1097 | |
| 629 | E | A | -0.7070 | |
| 630 | L | A | 0.0000 | |
| 631 | D | A | 0.0000 | |
| 632 | L | A | 0.0000 | |
| 633 | S | A | 0.0000 | |
| 634 | N | A | -1.5190 | |
| 635 | N | A | 0.0000 | |
| 636 | C | A | 0.0000 | |
| 637 | L | A | 0.6561 | |
| 638 | G | A | 0.3055 | |
| 639 | D | A | -0.2523 | |
| 640 | A | A | -0.0555 | |
| 641 | G | A | 0.0000 | |
| 642 | I | A | 0.0000 | |
| 643 | L | A | -0.2200 | |
| 644 | Q | A | -1.0806 | |
| 645 | L | A | 0.0000 | |
| 646 | V | A | 0.0000 | |
| 647 | E | A | -1.9830 | |
| 648 | S | A | 0.0000 | |
| 649 | V | A | 0.0000 | |
| 650 | R | A | -2.6098 | |
| 651 | G | A | -1.5340 | |
| 652 | S | A | 0.0000 | |
| 653 | G | A | -1.1156 | |
| 654 | D | A | 0.0000 | |
| 655 | A | A | -1.2524 | |
| 656 | T | A | 0.0000 | |
| 657 | Q | A | -1.6348 | |
| 658 | K | A | -1.0303 | |
| 659 | P | A | -0.5394 | |
| 660 | N | A | -0.6222 | |
| 661 | T | A | -0.5480 | |
| 662 | A | A | -0.6734 | |
| 663 | K | A | -1.1878 | |
| 664 | H | A | -0.3883 | |
| 665 | P | A | 0.4204 | |
| 666 | A | A | 1.0997 | |
| 667 | L | A | 1.6981 | |
| 668 | E | A | 0.0000 | |
| 669 | A | A | -0.2405 | |
| 670 | T | A | 0.0000 | |
| 671 | Q | A | -1.8385 | |
| 672 | P | A | -1.5516 | |
| 673 | G | A | -1.2161 | |
| 674 | G | A | -0.9592 | |
| 675 | S | A | -0.5772 | |
| 676 | G | A | 0.0000 | |
| 677 | Q | A | 0.0000 | |
| 678 | L | A | 0.0000 | |
| 679 | V | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | Y | A | -1.0876 | |
| 682 | D | A | -1.5373 | |
| 683 | I | A | -0.2072 | |
| 684 | Y | A | 0.0000 | |
| 685 | W | A | -0.9578 | |
| 686 | S | A | -2.1424 | |
| 687 | E | A | -3.7521 | |
| 688 | E | A | -4.1321 | |
| 689 | M | A | 0.0000 | |
| 690 | E | A | -3.8615 | |
| 691 | D | A | -4.6787 | |
| 692 | R | A | -3.7654 | |
| 693 | L | A | 0.0000 | |
| 694 | Q | A | -3.8424 | |
| 695 | A | A | -3.0427 | |
| 696 | L | A | 0.0000 | |
| 697 | E | A | -3.8274 | |
| 698 | K | A | -3.9573 | |
| 699 | D | A | -3.1601 | |
| 700 | G | A | -2.0525 | |
| 701 | S | A | -1.9885 | |
| 702 | G | A | -2.6069 | |
| 703 | D | A | -1.9998 | |
| 704 | A | A | 0.0000 | |
| 705 | T | A | -1.0588 | |
| 706 | Q | A | -1.3211 | |
| 707 | K | A | -2.0020 | |
| 708 | P | A | -1.2502 | |
| 709 | N | A | -1.1355 | |
| 710 | T | A | -0.8511 | |
| 711 | A | A | -0.6985 | |
| 712 | K | A | -1.3115 | |
| 713 | H | A | -0.7001 | |
| 714 | P | A | -0.3008 | |
| 715 | A | A | -0.1024 | |
| 716 | L | A | 0.0832 | |
| 717 | E | A | -0.5738 | |
| 718 | A | A | -0.6516 | |
| 719 | T | A | -0.9351 | |
| 720 | Q | A | -1.4082 | |
| 721 | P | A | -1.2693 | |
| 722 | G | A | -1.3975 | |
| 723 | G | A | -1.1969 | |
| 724 | S | A | -1.2917 | |
| 725 | G | A | -1.4939 | |
| 726 | R | A | -1.7568 | |
| 727 | V | A | -0.9345 | |
| 728 | I | A | 0.0000 | |
| 729 | S | A | -1.2622 |
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, -0.7752 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_1 | -0.7752 | View | CSV | PDB |
| model_4 | -0.8037 | View | CSV | PDB |
| model_9 | -0.8163 | View | CSV | PDB |
| model_6 | -0.8423 | View | CSV | PDB |
| model_3 | -0.8454 | View | CSV | PDB |
| model_5 | -0.8495 | View | CSV | PDB |
| CABS_average | -0.8526 | View | CSV | PDB |
| model_0 | -0.8536 | View | CSV | PDB |
| model_2 | -0.8691 | View | CSV | PDB |
| model_10 | -0.8721 | View | CSV | PDB |
| model_8 | -0.8759 | View | CSV | PDB |
| model_7 | -0.888 | View | CSV | PDB |
| model_11 | -0.9404 | View | CSV | PDB |
| input | -1.0672 | 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