Project name: C35_A71_EF_GSG
Status: done
Started: 2026-07-21 11:08:34
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTEDSHPPYKQTQPGAGSGVRLDDCGLTEARCKDISSALRVGSGTEDSHPPYKQTQPGAGSGELNLRSNELGDVGVHCVLQGLQGSGTEDSHPPYKQTQPGAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTEDSHPPYKQTQPGAGSGELHLSDNLLGDAGLQLLCEGLLGSGTEDSHPPYKQTQPGAGSGKLQLEYCSLSAASCEPLASVLRAGSGTEDSHPPYKQTQPGAGSGELTVSNNDINEAGVRVLCQGLKDGSGTEDSHPPYKQTQPGAGSGALKLESCGVTSDNCRDLCGIVASGSGTEDSHPPYKQTQPGAGSGELALGSNKLGDVGMAELCPGLLGSGTEDSHPPYKQTQPGAGSGTLWIWECGITAKGCGDLCRVLRAGSGTEDSHPPYKQTQPGAGSGELSLAGNELGDEGARLLCETLLGSGTEDSHPPYKQTQPGAGSGSLWVKSCSFTAACCSHFSSVLAQGSGTEDSHPPYKQTQPGAGSGELQISNNRLEDAGVRELCQGLGGSGTEDSHPPYKQTQPGAGSGVLWLADCDVSDSSCSSLAATLLAGSGTEDSHPPYKQTQPGAGSGELDLSNNCLGDAGILQLVESVRGSGTEDSHPPYKQTQPGAGSGQLVLYDIYWSEEMEDRLQALEKDGSGTEDSHPPYKQTQPGAGSGRVIS
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 (00:09:29)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:35:23)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:35:28)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:35:32)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:35:37)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:35:41)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:35:46)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:35:50)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:35:55)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:36:00)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:36:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:36:09)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:36:14)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:36:18)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:36:30)
[INFO] Main: Simulation completed successfully. (02:36:34)
|
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
- -4.6511
- Maximal score value
- 1.0865
- Average score
- -0.9
- Total score value
- -634.4857
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 | -0.0939 | |
| 2 | L | A | 0.2350 | |
| 3 | D | A | -0.3266 | |
| 4 | I | A | 1.0865 | |
| 5 | Q | A | -0.2217 | |
| 6 | S | A | -0.8717 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.9292 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.4724 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.8601 | |
| 13 | E | A | -3.5695 | |
| 14 | L | A | -2.7244 | |
| 15 | S | A | -2.4811 | |
| 16 | D | A | -2.9896 | |
| 17 | A | A | -1.8757 | |
| 18 | R | A | -2.7988 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5425 | |
| 21 | E | A | -1.8045 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.3089 | |
| 24 | P | A | -0.1948 | |
| 25 | L | A | 0.3823 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.6430 | |
| 28 | G | A | -0.7523 | |
| 29 | S | A | -1.0357 | |
| 30 | G | A | -1.4661 | |
| 31 | T | A | -1.2967 | |
| 32 | E | A | -2.1022 | |
| 33 | D | A | -1.8865 | |
| 34 | S | A | -1.3666 | |
| 35 | H | A | -1.3878 | |
| 36 | P | A | -0.7573 | |
| 37 | P | A | -0.3516 | |
| 38 | Y | A | -0.1283 | |
| 39 | K | A | -1.7803 | |
| 40 | Q | A | -1.6857 | |
| 41 | T | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | P | A | 0.0000 | |
| 44 | G | A | -0.5339 | |
| 45 | A | A | -0.2910 | |
| 46 | G | A | 0.0000 | |
| 47 | S | A | -0.2824 | |
| 48 | G | A | -0.8241 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -3.2267 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -3.5730 | |
| 53 | D | A | -3.7164 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -2.8879 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.8757 | |
| 58 | E | A | -2.0718 | |
| 59 | A | A | -1.7828 | |
| 60 | R | A | -2.1602 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.4531 | |
| 63 | D | A | -1.9735 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.0597 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | -0.7789 | |
| 69 | R | A | -1.3646 | |
| 70 | V | A | -0.4362 | |
| 71 | G | A | -0.7621 | |
| 72 | S | A | -0.8408 | |
| 73 | G | A | 0.0000 | |
| 74 | T | A | -1.0172 | |
| 75 | E | A | -1.6156 | |
| 76 | D | A | -2.3968 | |
| 77 | S | A | -1.5541 | |
| 78 | H | A | -1.2025 | |
| 79 | P | A | -0.3085 | |
| 80 | P | A | -0.6641 | |
| 81 | Y | A | -1.0051 | |
| 82 | K | A | -1.9269 | |
| 83 | Q | A | -1.4093 | |
| 84 | T | A | -0.8453 | |
| 85 | Q | A | 0.0000 | |
| 86 | P | A | -0.3837 | |
| 87 | G | A | -0.5778 | |
| 88 | A | A | -0.2045 | |
| 89 | G | A | -0.2724 | |
| 90 | S | A | -0.4309 | |
| 91 | G | A | -0.7323 | |
| 92 | E | A | -1.2529 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | -1.9807 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -3.2152 | |
| 97 | S | A | -2.4401 | |
| 98 | N | A | 0.0000 | |
| 99 | E | A | -2.6857 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -1.2500 | |
| 102 | D | A | -0.9304 | |
| 103 | V | A | 0.3829 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.9122 | |
| 107 | C | A | -1.2651 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.8972 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -0.9440 | |
| 113 | Q | A | -1.4785 | |
| 114 | G | A | -1.1983 | |
| 115 | S | A | -0.9336 | |
| 116 | G | A | -0.8146 | |
| 117 | T | A | -0.6330 | |
| 118 | E | A | -1.0181 | |
| 119 | D | A | 0.0000 | |
| 120 | S | A | -0.8539 | |
| 121 | H | A | -0.7285 | |
| 122 | P | A | -0.5713 | |
| 123 | P | A | -0.6836 | |
| 124 | Y | A | -0.5240 | |
| 125 | K | A | -1.1395 | |
| 126 | Q | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | Q | A | 0.0000 | |
| 129 | P | A | -0.6980 | |
| 130 | G | A | -0.9211 | |
| 131 | A | A | -1.0036 | |
| 132 | G | A | -1.0385 | |
| 133 | S | A | -0.9844 | |
| 134 | G | A | -1.0893 | |
| 135 | K | A | -1.3057 | |
| 136 | L | A | -0.6855 | |
| 137 | S | A | -1.1505 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.7819 | |
| 140 | N | A | -1.6542 | |
| 141 | C | A | -1.3183 | |
| 142 | C | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.3961 | |
| 145 | G | A | -0.2056 | |
| 146 | A | A | -0.0559 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.2965 | |
| 150 | V | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.6620 | |
| 153 | S | A | -1.1544 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | -1.0439 | |
| 156 | R | A | -2.0989 | |
| 157 | T | A | -1.3575 | |
| 158 | G | A | -1.3114 | |
| 159 | S | A | -1.3308 | |
| 160 | G | A | -1.1859 | |
| 161 | T | A | 0.0000 | |
| 162 | E | A | -1.1124 | |
| 163 | D | A | 0.0000 | |
| 164 | S | A | -0.6543 | |
| 165 | H | A | 0.0000 | |
| 166 | P | A | -0.3562 | |
| 167 | P | A | -0.4261 | |
| 168 | Y | A | -0.4569 | |
| 169 | K | A | -1.2546 | |
| 170 | Q | A | -1.1503 | |
| 171 | T | A | -0.7701 | |
| 172 | Q | A | -0.7425 | |
| 173 | P | A | -0.7755 | |
| 174 | G | A | -1.0316 | |
| 175 | A | A | -0.9315 | |
| 176 | G | A | -1.1250 | |
| 177 | S | A | -1.0804 | |
| 178 | G | A | -1.1356 | |
| 179 | E | A | -1.1692 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -1.0175 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | -1.3749 | |
| 184 | D | A | -1.6059 | |
| 185 | N | A | -1.3695 | |
| 186 | L | A | -0.3830 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.2242 | |
| 189 | D | A | -0.6147 | |
| 190 | A | A | -0.2563 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.0918 | |
| 194 | L | A | 0.0012 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -1.3082 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.3030 | |
| 200 | L | A | 0.5782 | |
| 201 | G | A | -0.6538 | |
| 202 | S | A | -0.7278 | |
| 203 | G | A | -0.6379 | |
| 204 | T | A | -0.8051 | |
| 205 | E | A | 0.0000 | |
| 206 | D | A | -1.1636 | |
| 207 | S | A | -1.1699 | |
| 208 | H | A | -0.7971 | |
| 209 | P | A | -0.7297 | |
| 210 | P | A | -0.6274 | |
| 211 | Y | A | 0.0000 | |
| 212 | K | A | -2.3701 | |
| 213 | Q | A | 0.0000 | |
| 214 | T | A | -1.4287 | |
| 215 | Q | A | -1.0412 | |
| 216 | P | A | -0.6719 | |
| 217 | G | A | -0.7779 | |
| 218 | A | A | -0.8871 | |
| 219 | G | A | -1.1876 | |
| 220 | S | A | -1.0882 | |
| 221 | G | A | -0.9232 | |
| 222 | K | A | -1.0666 | |
| 223 | L | A | -0.3803 | |
| 224 | Q | A | -0.8713 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.9763 | |
| 227 | Y | A | 0.0000 | |
| 228 | C | A | -0.6140 | |
| 229 | S | A | -0.8584 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.1881 | |
| 232 | A | A | -1.3405 | |
| 233 | A | A | -0.9495 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -2.1231 | |
| 237 | P | A | -1.3347 | |
| 238 | L | A | -0.5518 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -1.1654 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | -0.8486 | |
| 243 | R | A | -1.8871 | |
| 244 | A | A | -0.5535 | |
| 245 | G | A | -0.8722 | |
| 246 | S | A | -1.6793 | |
| 247 | G | A | -1.6169 | |
| 248 | T | A | -1.1404 | |
| 249 | E | A | -2.0902 | |
| 250 | D | A | -2.0675 | |
| 251 | S | A | -1.7432 | |
| 252 | H | A | -1.5758 | |
| 253 | P | A | 0.0000 | |
| 254 | P | A | -0.7347 | |
| 255 | Y | A | 0.2808 | |
| 256 | K | A | -0.8383 | |
| 257 | Q | A | -1.5634 | |
| 258 | T | A | 0.0000 | |
| 259 | Q | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | G | A | -0.8170 | |
| 262 | A | A | -0.6112 | |
| 263 | G | A | -0.9452 | |
| 264 | S | A | -0.9780 | |
| 265 | G | A | -0.8195 | |
| 266 | E | A | -0.9083 | |
| 267 | L | A | -0.2392 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -1.4025 | |
| 271 | N | A | -2.0214 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -2.3853 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.4520 | |
| 276 | E | A | -2.1046 | |
| 277 | A | A | -1.3990 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -2.2942 | |
| 281 | V | A | -1.2336 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.4126 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | -1.8528 | |
| 287 | K | A | -3.1003 | |
| 288 | D | A | -3.1173 | |
| 289 | G | A | -2.1377 | |
| 290 | S | A | -1.8773 | |
| 291 | G | A | -2.3064 | |
| 292 | T | A | -2.2964 | |
| 293 | E | A | -2.6586 | |
| 294 | D | A | 0.0000 | |
| 295 | S | A | -1.1654 | |
| 296 | H | A | 0.0000 | |
| 297 | P | A | -0.7679 | |
| 298 | P | A | -0.7315 | |
| 299 | Y | A | -1.1006 | |
| 300 | K | A | -1.9721 | |
| 301 | Q | A | -1.4245 | |
| 302 | T | A | -1.2843 | |
| 303 | Q | A | -1.2142 | |
| 304 | P | A | -0.8520 | |
| 305 | G | A | -1.0044 | |
| 306 | A | A | -0.9324 | |
| 307 | G | A | -0.9929 | |
| 308 | S | A | -0.8552 | |
| 309 | G | A | -0.8333 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | -0.2469 | |
| 312 | K | A | -0.4405 | |
| 313 | L | A | -0.3507 | |
| 314 | E | A | -1.3773 | |
| 315 | S | A | -1.9073 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.8586 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -1.1357 | |
| 320 | S | A | -1.0971 | |
| 321 | D | A | -2.4124 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.7553 | |
| 325 | D | A | -2.5093 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -1.0446 | |
| 328 | G | A | -1.2822 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | -0.3326 | |
| 331 | A | A | -0.4477 | |
| 332 | S | A | -0.5672 | |
| 333 | G | A | -0.5825 | |
| 334 | S | A | -0.9317 | |
| 335 | G | A | -1.3415 | |
| 336 | T | A | 0.0000 | |
| 337 | E | A | -2.9712 | |
| 338 | D | A | 0.0000 | |
| 339 | S | A | -1.7273 | |
| 340 | H | A | -1.3598 | |
| 341 | P | A | -0.8814 | |
| 342 | P | A | -0.6132 | |
| 343 | Y | A | -0.8031 | |
| 344 | K | A | -2.1011 | |
| 345 | Q | A | 0.0000 | |
| 346 | T | A | -1.2929 | |
| 347 | Q | A | 0.0000 | |
| 348 | P | A | -0.9842 | |
| 349 | G | A | -0.9351 | |
| 350 | A | A | -0.8136 | |
| 351 | G | A | -0.8258 | |
| 352 | S | A | -0.7394 | |
| 353 | G | A | -0.6814 | |
| 354 | E | A | -0.5383 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.7997 | |
| 360 | N | A | -2.6002 | |
| 361 | K | A | -2.5657 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.6931 | |
| 364 | D | A | -0.4986 | |
| 365 | V | A | 0.5965 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.4297 | |
| 369 | E | A | -1.1860 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.4140 | |
| 373 | G | A | -0.2897 | |
| 374 | L | A | 0.3298 | |
| 375 | L | A | 0.1947 | |
| 376 | G | A | -0.3009 | |
| 377 | S | A | -0.1879 | |
| 378 | G | A | -0.5119 | |
| 379 | T | A | -1.3808 | |
| 380 | E | A | -2.6379 | |
| 381 | D | A | -3.0287 | |
| 382 | S | A | 0.0000 | |
| 383 | H | A | -1.5993 | |
| 384 | P | A | -1.1062 | |
| 385 | P | A | -0.3747 | |
| 386 | Y | A | 0.1332 | |
| 387 | K | A | -0.9973 | |
| 388 | Q | A | -1.5639 | |
| 389 | T | A | -0.8286 | |
| 390 | Q | A | -0.8315 | |
| 391 | P | A | -0.4659 | |
| 392 | G | A | -0.6998 | |
| 393 | A | A | -0.9043 | |
| 394 | G | A | -0.4931 | |
| 395 | S | A | -0.5334 | |
| 396 | G | A | -0.5272 | |
| 397 | T | A | -0.4728 | |
| 398 | L | A | -0.0307 | |
| 399 | W | A | 0.1789 | |
| 400 | I | A | 0.0000 | |
| 401 | W | A | -1.3086 | |
| 402 | E | A | -2.9117 | |
| 403 | C | A | 0.0000 | |
| 404 | G | A | -1.8661 | |
| 405 | I | A | -1.3809 | |
| 406 | T | A | -1.3518 | |
| 407 | A | A | -1.4939 | |
| 408 | K | A | -1.8787 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | G | A | -1.4788 | |
| 412 | D | A | -1.4018 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | R | A | -1.8355 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | -0.7701 | |
| 418 | R | A | -2.1982 | |
| 419 | A | A | -1.5281 | |
| 420 | G | A | -1.3913 | |
| 421 | S | A | 0.0000 | |
| 422 | G | A | -1.3574 | |
| 423 | T | A | 0.0000 | |
| 424 | E | A | -2.7708 | |
| 425 | D | A | 0.0000 | |
| 426 | S | A | -1.4947 | |
| 427 | H | A | 0.0000 | |
| 428 | P | A | -0.8221 | |
| 429 | P | A | -0.7077 | |
| 430 | Y | A | -0.5575 | |
| 431 | K | A | -1.5616 | |
| 432 | Q | A | 0.0000 | |
| 433 | T | A | -0.8488 | |
| 434 | Q | A | 0.0000 | |
| 435 | P | A | -0.6010 | |
| 436 | G | A | 0.0000 | |
| 437 | A | A | -0.5007 | |
| 438 | G | A | -0.6733 | |
| 439 | S | A | -0.7519 | |
| 440 | G | A | -0.7175 | |
| 441 | E | A | -0.7854 | |
| 442 | L | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | -1.2600 | |
| 446 | G | A | -2.1383 | |
| 447 | N | A | -2.7783 | |
| 448 | E | A | -3.4544 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | -1.6862 | |
| 451 | D | A | -1.8861 | |
| 452 | E | A | -2.0539 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | R | A | -1.7130 | |
| 456 | L | A | -1.0529 | |
| 457 | L | A | 0.0000 | |
| 458 | C | A | 0.0000 | |
| 459 | E | A | -0.9403 | |
| 460 | T | A | -0.7748 | |
| 461 | L | A | -0.2680 | |
| 462 | L | A | -0.1479 | |
| 463 | G | A | -0.6622 | |
| 464 | S | A | -0.8000 | |
| 465 | G | A | -1.2112 | |
| 466 | T | A | 0.0000 | |
| 467 | E | A | -2.4518 | |
| 468 | D | A | 0.0000 | |
| 469 | S | A | -1.5342 | |
| 470 | H | A | -1.4987 | |
| 471 | P | A | -0.8159 | |
| 472 | P | A | -0.9873 | |
| 473 | Y | A | -0.8690 | |
| 474 | K | A | -1.3363 | |
| 475 | Q | A | -1.3164 | |
| 476 | T | A | -1.3497 | |
| 477 | Q | A | -1.1054 | |
| 478 | P | A | 0.0000 | |
| 479 | G | A | -0.7733 | |
| 480 | A | A | -0.7133 | |
| 481 | G | A | -0.7816 | |
| 482 | S | A | -0.7929 | |
| 483 | G | A | -0.7066 | |
| 484 | S | A | 0.0000 | |
| 485 | L | A | -0.1929 | |
| 486 | W | A | -0.0777 | |
| 487 | V | A | 0.0000 | |
| 488 | K | A | -1.6232 | |
| 489 | S | A | -2.3990 | |
| 490 | C | A | -2.5704 | |
| 491 | S | A | 0.0000 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | 0.0000 | |
| 494 | A | A | -1.2238 | |
| 495 | A | A | -0.8470 | |
| 496 | C | A | 0.0000 | |
| 497 | C | A | 0.0000 | |
| 498 | S | A | -1.0686 | |
| 499 | H | A | -1.1074 | |
| 500 | F | A | 0.0000 | |
| 501 | S | A | -1.1782 | |
| 502 | S | A | -0.8347 | |
| 503 | V | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | -0.8470 | |
| 506 | Q | A | -0.9642 | |
| 507 | G | A | -0.6847 | |
| 508 | S | A | 0.0000 | |
| 509 | G | A | -1.0064 | |
| 510 | T | A | 0.0000 | |
| 511 | E | A | -1.1601 | |
| 512 | D | A | -1.4041 | |
| 513 | S | A | -1.2034 | |
| 514 | H | A | -1.3231 | |
| 515 | P | A | -0.6889 | |
| 516 | P | A | -0.3407 | |
| 517 | Y | A | 0.1537 | |
| 518 | K | A | -0.9641 | |
| 519 | Q | A | 0.0000 | |
| 520 | T | A | -0.9384 | |
| 521 | Q | A | 0.0000 | |
| 522 | P | A | -0.9461 | |
| 523 | G | A | -0.6135 | |
| 524 | A | A | -0.5196 | |
| 525 | G | A | -0.6319 | |
| 526 | S | A | -0.5329 | |
| 527 | G | A | -0.6245 | |
| 528 | E | A | -0.7522 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | -0.4200 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | N | A | -3.0867 | |
| 534 | N | A | -3.8117 | |
| 535 | R | A | -4.0671 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -3.4077 | |
| 538 | D | A | -2.5338 | |
| 539 | A | A | -1.5972 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -2.5271 | |
| 543 | E | A | -2.0820 | |
| 544 | L | A | 0.0000 | |
| 545 | C | A | -1.3019 | |
| 546 | Q | A | -1.9315 | |
| 547 | G | A | -1.3565 | |
| 548 | L | A | -0.7470 | |
| 549 | G | A | 0.0000 | |
| 550 | G | A | -1.0484 | |
| 551 | S | A | -1.0394 | |
| 552 | G | A | -1.0535 | |
| 553 | T | A | -1.0061 | |
| 554 | E | A | -1.1550 | |
| 555 | D | A | 0.0000 | |
| 556 | S | A | -0.9861 | |
| 557 | H | A | -1.0867 | |
| 558 | P | A | -0.8741 | |
| 559 | P | A | -1.1451 | |
| 560 | Y | A | 0.0000 | |
| 561 | K | A | -2.5134 | |
| 562 | Q | A | 0.0000 | |
| 563 | T | A | -1.1157 | |
| 564 | Q | A | 0.0000 | |
| 565 | P | A | -0.5807 | |
| 566 | G | A | -0.5920 | |
| 567 | A | A | -0.4890 | |
| 568 | G | A | -0.4982 | |
| 569 | S | A | -0.3842 | |
| 570 | G | A | 0.0000 | |
| 571 | V | A | -0.2821 | |
| 572 | L | A | 0.0000 | |
| 573 | W | A | -0.2512 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | D | A | -3.1448 | |
| 577 | C | A | 0.0000 | |
| 578 | D | A | -3.5399 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | -2.0437 | |
| 581 | D | A | -2.0758 | |
| 582 | S | A | -1.2173 | |
| 583 | S | A | 0.0000 | |
| 584 | C | A | 0.0000 | |
| 585 | S | A | -0.8299 | |
| 586 | S | A | -1.0143 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | A | A | -0.1757 | |
| 590 | T | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | L | A | -0.1408 | |
| 593 | A | A | -0.2091 | |
| 594 | G | A | -0.5438 | |
| 595 | S | A | -0.6004 | |
| 596 | G | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | E | A | -1.8069 | |
| 599 | D | A | -2.1930 | |
| 600 | S | A | -1.5812 | |
| 601 | H | A | -1.2655 | |
| 602 | P | A | -0.9057 | |
| 603 | P | A | -1.2543 | |
| 604 | Y | A | -1.8515 | |
| 605 | K | A | -2.7039 | |
| 606 | Q | A | -1.9033 | |
| 607 | T | A | -0.9801 | |
| 608 | Q | A | 0.0000 | |
| 609 | P | A | -0.4836 | |
| 610 | G | A | 0.0000 | |
| 611 | A | A | -0.3477 | |
| 612 | G | A | -0.4760 | |
| 613 | S | A | -0.3828 | |
| 614 | G | A | 0.0000 | |
| 615 | E | A | -0.7445 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | -0.2181 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | -0.6683 | |
| 620 | N | A | 0.0000 | |
| 621 | N | A | -1.9099 | |
| 622 | C | A | -1.6169 | |
| 623 | L | A | 0.0000 | |
| 624 | G | A | -1.6247 | |
| 625 | D | A | -2.3323 | |
| 626 | A | A | -0.9579 | |
| 627 | G | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | -0.8209 | |
| 630 | Q | A | -1.2838 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -2.5650 | |
| 634 | S | A | -1.4767 | |
| 635 | V | A | 0.0000 | |
| 636 | R | A | -2.4949 | |
| 637 | G | A | -1.6137 | |
| 638 | S | A | -1.2962 | |
| 639 | G | A | -1.2791 | |
| 640 | T | A | -1.3523 | |
| 641 | E | A | -2.0379 | |
| 642 | D | A | 0.0000 | |
| 643 | S | A | -1.4946 | |
| 644 | H | A | -0.9429 | |
| 645 | P | A | -0.7819 | |
| 646 | P | A | -0.1570 | |
| 647 | Y | A | 0.0278 | |
| 648 | K | A | -1.6609 | |
| 649 | Q | A | -1.5097 | |
| 650 | T | A | -1.4045 | |
| 651 | Q | A | 0.0000 | |
| 652 | P | A | 0.0000 | |
| 653 | G | A | -0.6181 | |
| 654 | A | A | 0.0000 | |
| 655 | G | A | 0.0000 | |
| 656 | S | A | -0.5671 | |
| 657 | G | A | 0.0000 | |
| 658 | Q | A | -0.6556 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.5472 | |
| 661 | L | A | 0.0000 | |
| 662 | Y | A | 0.8599 | |
| 663 | D | A | -0.6413 | |
| 664 | I | A | -0.0378 | |
| 665 | Y | A | -0.1359 | |
| 666 | W | A | 0.0000 | |
| 667 | S | A | -2.1819 | |
| 668 | E | A | -3.8346 | |
| 669 | E | A | -4.3359 | |
| 670 | M | A | 0.0000 | |
| 671 | E | A | -3.9527 | |
| 672 | D | A | -4.6511 | |
| 673 | R | A | -4.4439 | |
| 674 | L | A | 0.0000 | |
| 675 | Q | A | -3.7369 | |
| 676 | A | A | -3.2932 | |
| 677 | L | A | 0.0000 | |
| 678 | E | A | -2.8969 | |
| 679 | K | A | -3.3770 | |
| 680 | D | A | -3.1933 | |
| 681 | G | A | -2.3383 | |
| 682 | S | A | -1.9608 | |
| 683 | G | A | -1.5009 | |
| 684 | T | A | -1.8449 | |
| 685 | E | A | -2.8569 | |
| 686 | D | A | -3.0110 | |
| 687 | S | A | -1.8342 | |
| 688 | H | A | -1.6209 | |
| 689 | P | A | -0.7598 | |
| 690 | P | A | -0.1626 | |
| 691 | Y | A | -0.1991 | |
| 692 | K | A | -1.7816 | |
| 693 | Q | A | 0.0000 | |
| 694 | T | A | -1.8421 | |
| 695 | Q | A | 0.0000 | |
| 696 | P | A | 0.0000 | |
| 697 | G | A | -1.2008 | |
| 698 | A | A | 0.0000 | |
| 699 | G | A | -0.7219 | |
| 700 | S | A | -0.9436 | |
| 701 | G | A | 0.0000 | |
| 702 | R | A | -1.0937 | |
| 703 | V | A | 0.0000 | |
| 704 | I | A | 0.6895 | |
| 705 | S | A | 0.0493 |
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, -0.9 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 | -0.9 | View | CSV | PDB |
| model_10 | -0.9129 | View | CSV | PDB |
| model_5 | -0.9198 | View | CSV | PDB |
| model_9 | -0.9225 | View | CSV | PDB |
| model_4 | -0.9311 | View | CSV | PDB |
| CABS_average | -0.9353 | View | CSV | PDB |
| model_11 | -0.9364 | View | CSV | PDB |
| model_6 | -0.9421 | View | CSV | PDB |
| model_8 | -0.9469 | View | CSV | PDB |
| model_3 | -0.9475 | View | CSV | PDB |
| model_1 | -0.9494 | View | CSV | PDB |
| model_2 | -0.9523 | View | CSV | PDB |
| model_7 | -0.9625 | View | CSV | PDB |
| input | -1.1237 | 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