Project name: C04_A71_EF_A2_EF_GSG
Status: done
Started: 2026-07-21 11:02:30
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTEDSHPPYKQTQPGAGSGVRLDDCGLTEARCKDISSALRVGSGTEDSHPPYKQTQPGAGSGELNLRSNELGDVGVHCVLQGLQGSGTEDSHPPYKQTQPGAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTEDSHPPYKQTQPGAGSGELHLSDNLLGDAGLQLLCEGLLGSGTEDSHPPYKQTQPGAGSGKLQLEYCSLSAASCEPLASVLRAGSGTEDSHPPYKQTQPGAGSGELTVSNNDINEAGVRVLCQGLKDGSGTEDSHPPYKQTQPGAGSGALKLESCGVTSDNCRDLCGIVASGSGTEDSHPPYKQTQPGAGSGELALGSNKLGDVGMAELCPGLLGSGDATQKPNTAKHPALEATQPGGSGTLWIWECGITAKGCGDLCRVLRAGSGDATQKPNTAKHPALEATQPGGSGELSLAGNELGDEGARLLCETLLGSGDATQKPNTAKHPALEATQPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGDATQKPNTAKHPALEATQPGGSGELQISNNRLEDAGVRELCQGLGGSGDATQKPNTAKHPALEATQPGGSGVLWLADCDVSDSSCSSLAATLLAGSGDATQKPNTAKHPALEATQPGGSGELDLSNNCLGDAGILQLVESVRGSGDATQKPNTAKHPALEATQPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGDATQKPNTAKHPALEATQPGGSGRVIS
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 (00:10:34)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:55:25)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:55:33)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:55:41)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:55:48)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:55:56)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:56:04)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:56:11)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:56:18)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:56:26)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:56:33)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:56:41)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:56:48)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:56:56)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:57:15)
[INFO] Main: Simulation completed successfully. (02:57:21)
|
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
- -3.8042
- Maximal score value
- 1.2898
- Average score
- -0.8486
- Total score value
- -632.1877
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 | -0.3425 | |
| 2 | L | A | 0.7090 | |
| 3 | D | A | -0.4066 | |
| 4 | I | A | 1.0204 | |
| 5 | Q | A | 0.0954 | |
| 6 | S | A | -0.5600 | |
| 7 | L | A | -0.9336 | |
| 8 | D | A | -2.3930 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.8595 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.3494 | |
| 13 | E | A | -3.7026 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.6381 | |
| 16 | D | A | -3.0978 | |
| 17 | A | A | -2.2737 | |
| 18 | R | A | -3.1519 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.6941 | |
| 21 | E | A | -1.7153 | |
| 22 | L | A | -0.8961 | |
| 23 | L | A | -0.4487 | |
| 24 | P | A | -0.2930 | |
| 25 | L | A | 0.4620 | |
| 26 | L | A | -0.2597 | |
| 27 | Q | A | -1.0104 | |
| 28 | G | A | -0.8940 | |
| 29 | S | A | -1.1424 | |
| 30 | G | A | -1.3273 | |
| 31 | T | A | -1.5337 | |
| 32 | E | A | -2.5718 | |
| 33 | D | A | -2.0962 | |
| 34 | S | A | -1.3715 | |
| 35 | H | A | 0.0000 | |
| 36 | P | A | -0.3587 | |
| 37 | P | A | -0.0750 | |
| 38 | Y | A | 0.1604 | |
| 39 | K | A | -1.5517 | |
| 40 | Q | A | -1.3358 | |
| 41 | T | A | 0.0000 | |
| 42 | Q | A | -0.5706 | |
| 43 | P | A | 0.0000 | |
| 44 | G | A | -1.0878 | |
| 45 | A | A | -0.6037 | |
| 46 | G | A | -0.1459 | |
| 47 | S | A | -0.4201 | |
| 48 | G | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -1.8155 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.3201 | |
| 53 | D | A | -2.4606 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -2.2741 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.0280 | |
| 58 | E | A | -1.4950 | |
| 59 | A | A | -1.6534 | |
| 60 | R | A | -1.8455 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.5937 | |
| 63 | D | A | -2.3736 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -1.8919 | |
| 66 | S | A | -1.5645 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -2.4647 | |
| 70 | V | A | -1.0014 | |
| 71 | G | A | -1.2499 | |
| 72 | S | A | 0.0000 | |
| 73 | G | A | -1.0188 | |
| 74 | T | A | 0.0000 | |
| 75 | E | A | 0.0000 | |
| 76 | D | A | -2.0058 | |
| 77 | S | A | -1.3829 | |
| 78 | H | A | -0.9024 | |
| 79 | P | A | -0.4762 | |
| 80 | P | A | 0.0735 | |
| 81 | Y | A | 0.0987 | |
| 82 | K | A | -1.2500 | |
| 83 | Q | A | -1.7604 | |
| 84 | T | A | -1.1669 | |
| 85 | Q | A | -1.2392 | |
| 86 | P | A | -0.6664 | |
| 87 | G | A | -0.6373 | |
| 88 | A | A | -0.3479 | |
| 89 | G | A | -0.8134 | |
| 90 | S | A | -0.6433 | |
| 91 | G | A | -0.7529 | |
| 92 | E | A | -1.1050 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -1.5573 | |
| 97 | S | A | -1.5423 | |
| 98 | N | A | -2.1949 | |
| 99 | E | A | -2.5124 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.6392 | |
| 102 | D | A | -0.1508 | |
| 103 | V | A | 1.0824 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.3098 | |
| 107 | C | A | -1.0092 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -2.1567 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -1.4221 | |
| 113 | Q | A | -2.0593 | |
| 114 | G | A | -1.8028 | |
| 115 | S | A | -1.4054 | |
| 116 | G | A | -1.7084 | |
| 117 | T | A | -1.7486 | |
| 118 | E | A | -1.6571 | |
| 119 | D | A | -1.7029 | |
| 120 | S | A | -1.4639 | |
| 121 | H | A | -1.0585 | |
| 122 | P | A | -0.5991 | |
| 123 | P | A | -0.3559 | |
| 124 | Y | A | -0.3193 | |
| 125 | K | A | -1.7734 | |
| 126 | Q | A | -1.4553 | |
| 127 | T | A | -1.2287 | |
| 128 | Q | A | -1.2274 | |
| 129 | P | A | -0.7944 | |
| 130 | G | A | -0.8846 | |
| 131 | A | A | -0.8901 | |
| 132 | G | A | -0.9680 | |
| 133 | S | A | -0.9956 | |
| 134 | G | A | -1.2402 | |
| 135 | K | A | -1.1201 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | -0.6116 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.1777 | |
| 140 | N | A | -1.4579 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | -0.4189 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.2233 | |
| 145 | G | A | -0.1592 | |
| 146 | A | A | 0.0201 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.4228 | |
| 150 | V | A | -0.4821 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | S | A | -1.0641 | |
| 154 | T | A | -1.0610 | |
| 155 | L | A | -0.9041 | |
| 156 | R | A | -1.5425 | |
| 157 | T | A | -1.3559 | |
| 158 | G | A | -1.5133 | |
| 159 | S | A | -0.9802 | |
| 160 | G | A | 0.0000 | |
| 161 | T | A | -0.6690 | |
| 162 | E | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | S | A | -0.4291 | |
| 165 | H | A | -0.7453 | |
| 166 | P | A | -0.4313 | |
| 167 | P | A | -0.4290 | |
| 168 | Y | A | -0.1746 | |
| 169 | K | A | -1.6916 | |
| 170 | Q | A | 0.0000 | |
| 171 | T | A | -1.3666 | |
| 172 | Q | A | -1.4893 | |
| 173 | P | A | 0.0000 | |
| 174 | G | A | -0.6614 | |
| 175 | A | A | -0.6132 | |
| 176 | G | A | -0.8124 | |
| 177 | S | A | -0.9153 | |
| 178 | G | A | -1.1278 | |
| 179 | E | A | -1.1839 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.6882 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | -0.6801 | |
| 184 | D | A | -0.9110 | |
| 185 | N | A | -0.8934 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | 0.1339 | |
| 188 | G | A | -0.4614 | |
| 189 | D | A | -0.8532 | |
| 190 | A | A | -0.4834 | |
| 191 | G | A | -0.5539 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.1513 | |
| 194 | L | A | -0.6033 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | -0.6871 | |
| 197 | E | A | -1.4181 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.0320 | |
| 200 | L | A | 0.5100 | |
| 201 | G | A | -0.3129 | |
| 202 | S | A | -0.6342 | |
| 203 | G | A | 0.0000 | |
| 204 | T | A | -0.4678 | |
| 205 | E | A | 0.0000 | |
| 206 | D | A | -1.3999 | |
| 207 | S | A | -1.3906 | |
| 208 | H | A | -1.4085 | |
| 209 | P | A | -1.0456 | |
| 210 | P | A | -1.1767 | |
| 211 | Y | A | 0.0000 | |
| 212 | K | A | -2.5352 | |
| 213 | Q | A | 0.0000 | |
| 214 | T | A | -1.3674 | |
| 215 | Q | A | -0.9901 | |
| 216 | P | A | -0.4755 | |
| 217 | G | A | -0.7022 | |
| 218 | A | A | -0.6405 | |
| 219 | G | A | -0.7504 | |
| 220 | S | A | -0.9861 | |
| 221 | G | A | -1.1439 | |
| 222 | K | A | -1.3089 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -0.7854 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.8900 | |
| 227 | Y | A | -0.5456 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -1.3110 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.4549 | |
| 232 | A | A | -1.2512 | |
| 233 | A | A | -0.7896 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -1.8566 | |
| 237 | P | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -1.0376 | |
| 241 | V | A | -0.5042 | |
| 242 | L | A | -1.5341 | |
| 243 | R | A | -2.5582 | |
| 244 | A | A | -0.7574 | |
| 245 | G | A | -0.9243 | |
| 246 | S | A | -0.6141 | |
| 247 | G | A | -1.1663 | |
| 248 | T | A | 0.0000 | |
| 249 | E | A | -3.0294 | |
| 250 | D | A | -2.5366 | |
| 251 | S | A | -1.7915 | |
| 252 | H | A | -2.1970 | |
| 253 | P | A | -1.6483 | |
| 254 | P | A | -1.4105 | |
| 255 | Y | A | 0.0000 | |
| 256 | K | A | -2.4808 | |
| 257 | Q | A | 0.0000 | |
| 258 | T | A | -1.6774 | |
| 259 | Q | A | -1.2407 | |
| 260 | P | A | -1.0524 | |
| 261 | G | A | -0.6878 | |
| 262 | A | A | -0.8544 | |
| 263 | G | A | -0.6362 | |
| 264 | S | A | -0.6343 | |
| 265 | G | A | -0.6837 | |
| 266 | E | A | -1.1775 | |
| 267 | L | A | -0.6704 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -2.1325 | |
| 272 | N | A | -2.7438 | |
| 273 | D | A | -2.8987 | |
| 274 | I | A | -2.2321 | |
| 275 | N | A | -2.5726 | |
| 276 | E | A | -2.7021 | |
| 277 | A | A | -1.7031 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -2.2661 | |
| 281 | V | A | -1.6353 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.8847 | |
| 285 | G | A | -2.5400 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -3.4611 | |
| 288 | D | A | -3.5186 | |
| 289 | G | A | -2.5784 | |
| 290 | S | A | -1.5427 | |
| 291 | G | A | -1.7781 | |
| 292 | T | A | 0.0000 | |
| 293 | E | A | -1.4628 | |
| 294 | D | A | -1.9982 | |
| 295 | S | A | -1.2847 | |
| 296 | H | A | -0.9416 | |
| 297 | P | A | -0.6106 | |
| 298 | P | A | -0.3743 | |
| 299 | Y | A | -0.1308 | |
| 300 | K | A | -1.6579 | |
| 301 | Q | A | -1.3921 | |
| 302 | T | A | -0.9578 | |
| 303 | Q | A | 0.0000 | |
| 304 | P | A | -0.9392 | |
| 305 | G | A | -0.9700 | |
| 306 | A | A | -0.7215 | |
| 307 | G | A | -0.6303 | |
| 308 | S | A | 0.0000 | |
| 309 | G | A | -0.7774 | |
| 310 | A | A | -0.8962 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -1.3804 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | 0.0000 | |
| 315 | S | A | -1.5505 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.4337 | |
| 318 | V | A | -1.4490 | |
| 319 | T | A | -1.1178 | |
| 320 | S | A | -1.3019 | |
| 321 | D | A | -2.9166 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.7207 | |
| 325 | D | A | -2.4305 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -0.9430 | |
| 328 | G | A | -1.3220 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | -0.5155 | |
| 332 | S | A | -0.8944 | |
| 333 | G | A | -0.5839 | |
| 334 | S | A | -0.7177 | |
| 335 | G | A | -1.2623 | |
| 336 | T | A | 0.0000 | |
| 337 | E | A | -2.3597 | |
| 338 | D | A | 0.0000 | |
| 339 | S | A | -0.9875 | |
| 340 | H | A | 0.0000 | |
| 341 | P | A | -0.5750 | |
| 342 | P | A | -0.7216 | |
| 343 | Y | A | -1.1196 | |
| 344 | K | A | -2.0927 | |
| 345 | Q | A | 0.0000 | |
| 346 | T | A | -1.0045 | |
| 347 | Q | A | 0.0000 | |
| 348 | P | A | -0.5505 | |
| 349 | G | A | 0.0000 | |
| 350 | A | A | -0.3668 | |
| 351 | G | A | 0.0000 | |
| 352 | S | A | -0.6564 | |
| 353 | G | A | 0.0000 | |
| 354 | E | A | -1.4201 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | -0.4366 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | -0.9545 | |
| 359 | S | A | 0.0000 | |
| 360 | N | A | -2.3378 | |
| 361 | K | A | -2.5343 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.8851 | |
| 364 | D | A | -1.1565 | |
| 365 | V | A | 0.5175 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.6313 | |
| 369 | E | A | -1.0801 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.7699 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.6222 | |
| 376 | G | A | -0.5396 | |
| 377 | S | A | -0.4500 | |
| 378 | G | A | -0.7137 | |
| 379 | D | A | 0.0000 | |
| 380 | A | A | -1.0500 | |
| 381 | T | A | 0.0000 | |
| 382 | Q | A | -1.4839 | |
| 383 | K | A | -1.4221 | |
| 384 | P | A | 0.0000 | |
| 385 | N | A | -1.4705 | |
| 386 | T | A | -1.3003 | |
| 387 | A | A | -1.5182 | |
| 388 | K | A | -2.5588 | |
| 389 | H | A | -2.5114 | |
| 390 | P | A | -1.5468 | |
| 391 | A | A | -1.7468 | |
| 392 | L | A | 0.0000 | |
| 393 | E | A | -3.0465 | |
| 394 | A | A | 0.0000 | |
| 395 | T | A | -1.3804 | |
| 396 | Q | A | 0.0000 | |
| 397 | P | A | -0.6804 | |
| 398 | G | A | -0.6562 | |
| 399 | G | A | 0.0000 | |
| 400 | S | A | -0.8858 | |
| 401 | G | A | -0.8802 | |
| 402 | T | A | -0.7581 | |
| 403 | L | A | -0.0847 | |
| 404 | W | A | 0.2321 | |
| 405 | I | A | 0.0000 | |
| 406 | W | A | -0.6371 | |
| 407 | E | A | -1.3002 | |
| 408 | C | A | -1.1223 | |
| 409 | G | A | -1.5854 | |
| 410 | I | A | 0.0000 | |
| 411 | T | A | -1.5390 | |
| 412 | A | A | 0.0000 | |
| 413 | K | A | -2.0870 | |
| 414 | G | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | G | A | -1.6777 | |
| 417 | D | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | C | A | -1.5326 | |
| 420 | R | A | -2.3915 | |
| 421 | V | A | 0.0000 | |
| 422 | L | A | -1.4247 | |
| 423 | R | A | -2.7157 | |
| 424 | A | A | -1.5437 | |
| 425 | G | A | -1.2023 | |
| 426 | S | A | -1.1243 | |
| 427 | G | A | -1.2500 | |
| 428 | D | A | -1.0160 | |
| 429 | A | A | -0.9471 | |
| 430 | T | A | -1.1415 | |
| 431 | Q | A | -1.2836 | |
| 432 | K | A | -2.1776 | |
| 433 | P | A | -1.9985 | |
| 434 | N | A | -1.6452 | |
| 435 | T | A | -1.0433 | |
| 436 | A | A | -1.3224 | |
| 437 | K | A | -2.3054 | |
| 438 | H | A | -1.9617 | |
| 439 | P | A | -1.7352 | |
| 440 | A | A | -1.5135 | |
| 441 | L | A | 0.0000 | |
| 442 | E | A | -2.4727 | |
| 443 | A | A | 0.0000 | |
| 444 | T | A | -1.2756 | |
| 445 | Q | A | -0.8544 | |
| 446 | P | A | 0.0000 | |
| 447 | G | A | -0.7399 | |
| 448 | G | A | -0.9079 | |
| 449 | S | A | -1.0104 | |
| 450 | G | A | -0.9579 | |
| 451 | E | A | -1.1162 | |
| 452 | L | A | -0.0904 | |
| 453 | S | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | G | A | 0.0000 | |
| 457 | N | A | -1.4138 | |
| 458 | E | A | -1.6964 | |
| 459 | L | A | -0.1973 | |
| 460 | G | A | -0.7722 | |
| 461 | D | A | -1.2503 | |
| 462 | E | A | -1.4209 | |
| 463 | G | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | R | A | -1.7115 | |
| 466 | L | A | -1.1414 | |
| 467 | L | A | 0.0000 | |
| 468 | C | A | 0.0000 | |
| 469 | E | A | -1.0805 | |
| 470 | T | A | 0.0000 | |
| 471 | L | A | -0.2665 | |
| 472 | L | A | 0.3714 | |
| 473 | G | A | -0.6781 | |
| 474 | S | A | -0.8019 | |
| 475 | G | A | -0.8497 | |
| 476 | D | A | -0.8188 | |
| 477 | A | A | -0.6470 | |
| 478 | T | A | -1.3958 | |
| 479 | Q | A | -2.1000 | |
| 480 | K | A | -1.8209 | |
| 481 | P | A | -1.3663 | |
| 482 | N | A | -1.1092 | |
| 483 | T | A | -1.2608 | |
| 484 | A | A | -1.6364 | |
| 485 | K | A | -2.2661 | |
| 486 | H | A | -2.0192 | |
| 487 | P | A | -1.1186 | |
| 488 | A | A | -1.3952 | |
| 489 | L | A | 0.0000 | |
| 490 | E | A | -1.9534 | |
| 491 | A | A | 0.0000 | |
| 492 | T | A | -0.8853 | |
| 493 | Q | A | 0.0000 | |
| 494 | P | A | 0.0000 | |
| 495 | G | A | -0.7918 | |
| 496 | G | A | -0.9160 | |
| 497 | S | A | -0.9384 | |
| 498 | G | A | -0.8765 | |
| 499 | S | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | W | A | 0.0436 | |
| 502 | V | A | 0.0000 | |
| 503 | K | A | -0.5918 | |
| 504 | S | A | 0.0000 | |
| 505 | C | A | 0.0000 | |
| 506 | S | A | -1.0127 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | -0.9052 | |
| 509 | A | A | -0.7451 | |
| 510 | A | A | -0.4727 | |
| 511 | C | A | 0.0000 | |
| 512 | C | A | 0.0000 | |
| 513 | S | A | -0.8311 | |
| 514 | H | A | -0.6439 | |
| 515 | F | A | 0.0000 | |
| 516 | S | A | -0.7426 | |
| 517 | S | A | -0.3381 | |
| 518 | V | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | A | A | -0.5124 | |
| 521 | Q | A | -0.4883 | |
| 522 | G | A | -0.9285 | |
| 523 | S | A | -0.3607 | |
| 524 | G | A | -0.7173 | |
| 525 | D | A | -1.1684 | |
| 526 | A | A | 0.0000 | |
| 527 | T | A | 0.0000 | |
| 528 | Q | A | 0.0000 | |
| 529 | K | A | -1.9035 | |
| 530 | P | A | 0.0000 | |
| 531 | N | A | -2.0348 | |
| 532 | T | A | -1.3594 | |
| 533 | A | A | 0.0000 | |
| 534 | K | A | -2.3653 | |
| 535 | H | A | 0.0000 | |
| 536 | P | A | -1.2618 | |
| 537 | A | A | -0.8993 | |
| 538 | L | A | 0.0000 | |
| 539 | E | A | -2.4944 | |
| 540 | A | A | 0.0000 | |
| 541 | T | A | -1.0194 | |
| 542 | Q | A | 0.0000 | |
| 543 | P | A | 0.0000 | |
| 544 | G | A | -0.7233 | |
| 545 | G | A | -0.8078 | |
| 546 | S | A | -0.6847 | |
| 547 | G | A | -0.6367 | |
| 548 | E | A | -0.6231 | |
| 549 | L | A | 0.0000 | |
| 550 | Q | A | -0.0025 | |
| 551 | I | A | 0.0000 | |
| 552 | S | A | -1.0542 | |
| 553 | N | A | -1.7434 | |
| 554 | N | A | -2.0713 | |
| 555 | R | A | -2.2418 | |
| 556 | L | A | 0.0000 | |
| 557 | E | A | -1.8446 | |
| 558 | D | A | -1.6551 | |
| 559 | A | A | -0.8713 | |
| 560 | G | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | R | A | -1.8620 | |
| 563 | E | A | -1.4453 | |
| 564 | L | A | 0.0000 | |
| 565 | C | A | 0.0000 | |
| 566 | Q | A | -1.7248 | |
| 567 | G | A | 0.0000 | |
| 568 | L | A | -0.8984 | |
| 569 | G | A | -0.7490 | |
| 570 | G | A | -1.2848 | |
| 571 | S | A | -1.2338 | |
| 572 | G | A | -1.7709 | |
| 573 | D | A | -2.4401 | |
| 574 | A | A | -1.4876 | |
| 575 | T | A | 0.0000 | |
| 576 | Q | A | 0.0000 | |
| 577 | K | A | 0.0000 | |
| 578 | P | A | 0.0000 | |
| 579 | N | A | 0.0000 | |
| 580 | T | A | -0.6381 | |
| 581 | A | A | -0.4972 | |
| 582 | K | A | -1.1411 | |
| 583 | H | A | 0.0000 | |
| 584 | P | A | -0.9653 | |
| 585 | A | A | -0.7243 | |
| 586 | L | A | 0.0000 | |
| 587 | E | A | -1.9465 | |
| 588 | A | A | 0.0000 | |
| 589 | T | A | -0.8756 | |
| 590 | Q | A | 0.0000 | |
| 591 | P | A | -0.7368 | |
| 592 | G | A | -0.9312 | |
| 593 | G | A | -0.7894 | |
| 594 | S | A | -0.7760 | |
| 595 | G | A | -0.7427 | |
| 596 | V | A | -0.4023 | |
| 597 | L | A | 0.0000 | |
| 598 | W | A | 0.2610 | |
| 599 | L | A | 0.0000 | |
| 600 | A | A | -1.3349 | |
| 601 | D | A | -2.7230 | |
| 602 | C | A | 0.0000 | |
| 603 | D | A | -2.4583 | |
| 604 | V | A | 0.0000 | |
| 605 | S | A | -1.2337 | |
| 606 | D | A | -1.5790 | |
| 607 | S | A | -1.0290 | |
| 608 | S | A | 0.0000 | |
| 609 | C | A | 0.0000 | |
| 610 | S | A | -0.5233 | |
| 611 | S | A | -0.8311 | |
| 612 | L | A | 0.0000 | |
| 613 | A | A | 0.0000 | |
| 614 | A | A | 0.2238 | |
| 615 | T | A | -0.1378 | |
| 616 | L | A | 0.0000 | |
| 617 | L | A | 0.8119 | |
| 618 | A | A | 0.2774 | |
| 619 | G | A | -0.4485 | |
| 620 | S | A | -0.4640 | |
| 621 | G | A | -0.6247 | |
| 622 | D | A | -1.2448 | |
| 623 | A | A | -0.9497 | |
| 624 | T | A | -0.7727 | |
| 625 | Q | A | -1.1576 | |
| 626 | K | A | -1.5745 | |
| 627 | P | A | -1.2244 | |
| 628 | N | A | 0.0000 | |
| 629 | T | A | -1.0855 | |
| 630 | A | A | -1.2232 | |
| 631 | K | A | -1.9372 | |
| 632 | H | A | -1.2448 | |
| 633 | P | A | -0.6736 | |
| 634 | A | A | 0.0000 | |
| 635 | L | A | 0.1003 | |
| 636 | E | A | 0.0000 | |
| 637 | A | A | 0.0000 | |
| 638 | T | A | -0.4747 | |
| 639 | Q | A | -0.6592 | |
| 640 | P | A | -0.8299 | |
| 641 | G | A | -0.9576 | |
| 642 | G | A | -1.0146 | |
| 643 | S | A | -0.9889 | |
| 644 | G | A | -1.0005 | |
| 645 | E | A | -1.0996 | |
| 646 | L | A | 0.0000 | |
| 647 | D | A | 0.0220 | |
| 648 | L | A | 0.0000 | |
| 649 | S | A | -1.0632 | |
| 650 | N | A | -1.6005 | |
| 651 | N | A | -1.2152 | |
| 652 | C | A | -0.6570 | |
| 653 | L | A | 0.0000 | |
| 654 | G | A | -0.5624 | |
| 655 | D | A | -1.2944 | |
| 656 | A | A | -0.8199 | |
| 657 | G | A | 0.0000 | |
| 658 | I | A | 0.0000 | |
| 659 | L | A | -0.4569 | |
| 660 | Q | A | -1.3778 | |
| 661 | L | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | E | A | -2.4277 | |
| 664 | S | A | -1.3592 | |
| 665 | V | A | 0.0000 | |
| 666 | R | A | -3.0024 | |
| 667 | G | A | -1.7337 | |
| 668 | S | A | -1.4314 | |
| 669 | G | A | -2.0453 | |
| 670 | D | A | -1.5700 | |
| 671 | A | A | -1.0143 | |
| 672 | T | A | -0.7814 | |
| 673 | Q | A | -1.1224 | |
| 674 | K | A | 0.0000 | |
| 675 | P | A | -1.2375 | |
| 676 | N | A | -2.0953 | |
| 677 | T | A | 0.0000 | |
| 678 | A | A | -1.6451 | |
| 679 | K | A | -2.4002 | |
| 680 | H | A | 0.0000 | |
| 681 | P | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | L | A | 0.8228 | |
| 684 | E | A | 0.0000 | |
| 685 | A | A | 0.1796 | |
| 686 | T | A | 0.0000 | |
| 687 | Q | A | 0.0000 | |
| 688 | P | A | -1.0875 | |
| 689 | G | A | -1.1158 | |
| 690 | G | A | -0.9830 | |
| 691 | S | A | -0.9004 | |
| 692 | G | A | 0.0000 | |
| 693 | Q | A | -0.6132 | |
| 694 | L | A | 0.0000 | |
| 695 | V | A | 0.7673 | |
| 696 | L | A | 0.0000 | |
| 697 | Y | A | 0.0000 | |
| 698 | D | A | -0.7728 | |
| 699 | I | A | 1.2084 | |
| 700 | Y | A | 0.9859 | |
| 701 | W | A | 0.4709 | |
| 702 | S | A | -1.0819 | |
| 703 | E | A | -2.8595 | |
| 704 | E | A | -3.0716 | |
| 705 | M | A | 0.0000 | |
| 706 | E | A | -2.8140 | |
| 707 | D | A | -3.8042 | |
| 708 | R | A | -2.6720 | |
| 709 | L | A | 0.0000 | |
| 710 | Q | A | -3.2772 | |
| 711 | A | A | -2.6107 | |
| 712 | L | A | -3.0427 | |
| 713 | E | A | -3.4413 | |
| 714 | K | A | -3.4652 | |
| 715 | D | A | -3.2384 | |
| 716 | G | A | 0.0000 | |
| 717 | S | A | -1.9309 | |
| 718 | G | A | -2.1550 | |
| 719 | D | A | -2.5637 | |
| 720 | A | A | -1.5118 | |
| 721 | T | A | -1.2011 | |
| 722 | Q | A | 0.0000 | |
| 723 | K | A | -1.4541 | |
| 724 | P | A | -1.1748 | |
| 725 | N | A | 0.0000 | |
| 726 | T | A | -0.8406 | |
| 727 | A | A | -0.1714 | |
| 728 | K | A | -0.9304 | |
| 729 | H | A | -1.0741 | |
| 730 | P | A | -0.7792 | |
| 731 | A | A | 0.2901 | |
| 732 | L | A | 1.2898 | |
| 733 | E | A | 0.0000 | |
| 734 | A | A | 0.0747 | |
| 735 | T | A | 0.0000 | |
| 736 | Q | A | -1.0089 | |
| 737 | P | A | 0.0000 | |
| 738 | G | A | -1.0358 | |
| 739 | G | A | -1.2162 | |
| 740 | S | A | -1.5261 | |
| 741 | G | A | 0.0000 | |
| 742 | R | A | -1.7844 | |
| 743 | V | A | 0.0000 | |
| 744 | I | A | -0.0942 | |
| 745 | S | A | -0.4391 |
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, -0.8486 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_8 | -0.8486 | View | CSV | PDB |
| model_5 | -0.8495 | View | CSV | PDB |
| model_10 | -0.8524 | View | CSV | PDB |
| model_6 | -0.8534 | View | CSV | PDB |
| model_3 | -0.8604 | View | CSV | PDB |
| model_1 | -0.8613 | View | CSV | PDB |
| model_9 | -0.8644 | View | CSV | PDB |
| model_7 | -0.8725 | View | CSV | PDB |
| CABS_average | -0.877 | View | CSV | PDB |
| model_4 | -0.8857 | View | CSV | PDB |
| model_0 | -0.9029 | View | CSV | PDB |
| model_2 | -0.9242 | View | CSV | PDB |
| model_11 | -0.9487 | View | CSV | PDB |
| input | -1.2224 | 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