Project name: C21_B3_EF_E11_EF_DIRECT
Status: done
Started: 2026-07-21 10:54:45
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELQISNNRLEDAGVRELCQGLGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTERVIS
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 (00:14:31)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:01:00)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:01:10)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:01:20)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:01:29)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:01:39)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:01:48)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:01:56)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:02:06)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:02:16)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:02:25)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:02:35)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:02:45)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:02:54)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:03:18)
[INFO] Main: Simulation completed successfully. (04:03:29)
|
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
- -4.1284
- Maximal score value
- 2.8506
- Average score
- -0.4283
- Total score value
- -353.3439
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 | 0.1449 | |
| 2 | L | A | 0.6285 | |
| 3 | D | A | -1.0780 | |
| 4 | I | A | -0.6187 | |
| 5 | Q | A | -1.5978 | |
| 6 | S | A | -1.3689 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.2433 | |
| 9 | I | A | -2.0157 | |
| 10 | Q | A | -2.4559 | |
| 11 | C | A | -1.5185 | |
| 12 | E | A | -2.5650 | |
| 13 | E | A | -3.2431 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.3153 | |
| 16 | D | A | -2.6707 | |
| 17 | A | A | -1.8684 | |
| 18 | R | A | -2.6173 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5756 | |
| 21 | E | A | -2.3146 | |
| 22 | L | A | -1.2692 | |
| 23 | L | A | -0.8140 | |
| 24 | P | A | -0.9887 | |
| 25 | L | A | -0.7498 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.1552 | |
| 28 | E | A | -1.6642 | |
| 29 | A | A | -1.1396 | |
| 30 | E | A | -0.3813 | |
| 31 | M | A | 0.1207 | |
| 32 | G | A | -0.1509 | |
| 33 | C | A | 0.5717 | |
| 34 | A | A | 0.5897 | |
| 35 | T | A | 0.2983 | |
| 36 | L | A | 0.2417 | |
| 37 | D | A | -1.6425 | |
| 38 | N | A | -1.7987 | |
| 39 | T | A | -1.1962 | |
| 40 | P | A | -0.6887 | |
| 41 | S | A | -0.7352 | |
| 42 | S | A | -0.8587 | |
| 43 | A | A | -1.0456 | |
| 44 | E | A | -2.0688 | |
| 45 | L | A | -1.0917 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -1.1474 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -2.0840 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.3300 | |
| 52 | D | A | -2.9654 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -2.1503 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.3153 | |
| 57 | E | A | -1.5068 | |
| 58 | A | A | -0.9378 | |
| 59 | R | A | -1.4908 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -2.1950 | |
| 62 | D | A | -1.5121 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.0289 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -1.2055 | |
| 69 | V | A | -0.8307 | |
| 70 | E | A | -0.9503 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -1.6596 | |
| 73 | M | A | -0.3455 | |
| 74 | G | A | 0.0300 | |
| 75 | C | A | -0.0099 | |
| 76 | A | A | -0.1790 | |
| 77 | T | A | -0.3692 | |
| 78 | L | A | -0.3501 | |
| 79 | D | A | -2.2600 | |
| 80 | N | A | -2.4690 | |
| 81 | T | A | -1.3642 | |
| 82 | P | A | 0.0000 | |
| 83 | S | A | -0.5626 | |
| 84 | S | A | -0.8166 | |
| 85 | A | A | -0.7853 | |
| 86 | E | A | -1.0869 | |
| 87 | L | A | -0.3973 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.7864 | |
| 90 | E | A | -0.6212 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.8209 | |
| 95 | S | A | -1.9041 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.5219 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.6610 | |
| 100 | D | A | -0.2166 | |
| 101 | V | A | 0.6394 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.6164 | |
| 105 | C | A | -0.8400 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.3544 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -0.8675 | |
| 112 | E | A | -1.1496 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | -0.2796 | |
| 115 | M | A | 0.0807 | |
| 116 | G | A | -0.2809 | |
| 117 | C | A | 0.4751 | |
| 118 | A | A | 0.4531 | |
| 119 | T | A | 0.0367 | |
| 120 | L | A | -0.2363 | |
| 121 | D | A | -2.5963 | |
| 122 | N | A | -2.6457 | |
| 123 | T | A | -1.4426 | |
| 124 | P | A | -0.6955 | |
| 125 | S | A | -0.5140 | |
| 126 | S | A | -0.5413 | |
| 127 | A | A | -0.5663 | |
| 128 | E | A | -0.8842 | |
| 129 | L | A | -0.2579 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.6490 | |
| 132 | K | A | -0.6679 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.0117 | |
| 137 | N | A | -1.5372 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.5323 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.4030 | |
| 142 | G | A | 0.0890 | |
| 143 | A | A | 0.2443 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.1776 | |
| 147 | V | A | 0.0171 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | S | A | -0.5988 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.5471 | |
| 154 | T | A | -1.1954 | |
| 155 | E | A | -0.8263 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.0513 | |
| 158 | M | A | -0.7090 | |
| 159 | G | A | -0.6038 | |
| 160 | C | A | -0.4622 | |
| 161 | A | A | -0.5170 | |
| 162 | T | A | -0.7118 | |
| 163 | L | A | -1.2492 | |
| 164 | D | A | -2.9054 | |
| 165 | N | A | -2.8300 | |
| 166 | T | A | -1.4813 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | -0.4791 | |
| 169 | S | A | -0.5435 | |
| 170 | A | A | -0.4603 | |
| 171 | E | A | -0.5974 | |
| 172 | L | A | -0.2400 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.7023 | |
| 175 | E | A | -0.7719 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -0.4722 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.4015 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0357 | |
| 185 | D | A | -0.5839 | |
| 186 | A | A | -0.3759 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.0430 | |
| 190 | L | A | -0.1122 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.4184 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.7772 | |
| 197 | E | A | -1.9482 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.1279 | |
| 201 | G | A | -0.5239 | |
| 202 | C | A | 0.0865 | |
| 203 | A | A | 0.2912 | |
| 204 | T | A | -0.1958 | |
| 205 | L | A | -0.8426 | |
| 206 | D | A | -2.6317 | |
| 207 | N | A | -2.7327 | |
| 208 | T | A | -1.5285 | |
| 209 | P | A | -0.7359 | |
| 210 | S | A | -0.6344 | |
| 211 | S | A | -0.5067 | |
| 212 | A | A | -0.4630 | |
| 213 | E | A | -0.6873 | |
| 214 | L | A | -0.1560 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -0.6573 | |
| 217 | K | A | -0.7113 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -0.5162 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.2738 | |
| 222 | Y | A | 0.5673 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.0858 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -0.9733 | |
| 227 | A | A | -1.0560 | |
| 228 | A | A | -0.4429 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.3798 | |
| 232 | P | A | -0.8808 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.5747 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.2251 | |
| 239 | A | A | -0.6284 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.8352 | |
| 243 | M | A | -0.5436 | |
| 244 | G | A | -0.4336 | |
| 245 | C | A | -0.3954 | |
| 246 | A | A | -0.4717 | |
| 247 | T | A | -0.9740 | |
| 248 | L | A | -1.3600 | |
| 249 | D | A | -2.8914 | |
| 250 | N | A | -2.4292 | |
| 251 | T | A | -1.4535 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.5230 | |
| 254 | S | A | -0.5755 | |
| 255 | A | A | -0.5625 | |
| 256 | E | A | -0.7579 | |
| 257 | L | A | -0.3012 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -0.6094 | |
| 260 | E | A | -0.5604 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -0.6081 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.0844 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -1.8840 | |
| 270 | E | A | -2.3171 | |
| 271 | A | A | -1.2950 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -2.6685 | |
| 275 | V | A | -1.1793 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.7453 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.5164 | |
| 282 | D | A | -1.7895 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -1.9295 | |
| 286 | M | A | -1.1111 | |
| 287 | G | A | -0.6735 | |
| 288 | C | A | -0.2166 | |
| 289 | A | A | -0.2806 | |
| 290 | T | A | -0.4204 | |
| 291 | L | A | -0.5678 | |
| 292 | D | A | -2.6495 | |
| 293 | N | A | -2.7313 | |
| 294 | T | A | -1.3939 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.5620 | |
| 297 | S | A | -0.7925 | |
| 298 | A | A | -0.8542 | |
| 299 | E | A | -1.2543 | |
| 300 | L | A | -0.4504 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.7552 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.5863 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -0.6174 | |
| 308 | S | A | -1.0892 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.5610 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.6129 | |
| 313 | S | A | -1.4541 | |
| 314 | D | A | -2.6688 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.8877 | |
| 318 | D | A | -2.2337 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -0.6869 | |
| 321 | G | A | -0.9411 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | -0.1210 | |
| 324 | A | A | -0.2595 | |
| 325 | S | A | -0.9945 | |
| 326 | E | A | 0.0000 | |
| 327 | A | A | -0.5580 | |
| 328 | E | A | -1.5633 | |
| 329 | M | A | -0.7613 | |
| 330 | G | A | -0.3193 | |
| 331 | C | A | -0.0607 | |
| 332 | A | A | -0.0985 | |
| 333 | T | A | -0.2863 | |
| 334 | L | A | -0.9379 | |
| 335 | D | A | -2.2701 | |
| 336 | N | A | -2.4474 | |
| 337 | T | A | -0.9679 | |
| 338 | P | A | -0.4757 | |
| 339 | S | A | -0.3541 | |
| 340 | S | A | -0.7254 | |
| 341 | A | A | -1.1666 | |
| 342 | E | A | -1.6063 | |
| 343 | L | A | -0.6945 | |
| 344 | L | A | -0.6106 | |
| 345 | G | A | -1.1646 | |
| 346 | E | A | -1.0663 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.2377 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.0333 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.9019 | |
| 356 | D | A | -0.3330 | |
| 357 | V | A | 0.8068 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.3420 | |
| 361 | E | A | -1.0530 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.3811 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.7657 | |
| 367 | L | A | 0.7754 | |
| 368 | P | A | 0.5530 | |
| 369 | P | A | -0.0396 | |
| 370 | L | A | -0.2136 | |
| 371 | T | A | -0.3276 | |
| 372 | H | A | -0.6720 | |
| 373 | Q | A | 0.3273 | |
| 374 | V | A | 1.7981 | |
| 375 | M | A | 1.9893 | |
| 376 | Y | A | 2.1394 | |
| 377 | I | A | 1.4485 | |
| 378 | P | A | 0.5088 | |
| 379 | P | A | -0.3033 | |
| 380 | G | A | -0.3518 | |
| 381 | G | A | 0.2958 | |
| 382 | P | A | 0.4111 | |
| 383 | I | A | 1.2425 | |
| 384 | P | A | 0.0446 | |
| 385 | K | A | -1.4068 | |
| 386 | S | A | -0.7943 | |
| 387 | T | A | -0.5711 | |
| 388 | T | A | -0.5765 | |
| 389 | D | A | -0.4729 | |
| 390 | Y | A | 0.2492 | |
| 391 | A | A | 1.0746 | |
| 392 | W | A | 1.8020 | |
| 393 | Q | A | 0.0000 | |
| 394 | T | A | 1.2946 | |
| 395 | S | A | 0.3878 | |
| 396 | T | A | -0.7141 | |
| 397 | N | A | -1.5265 | |
| 398 | P | A | -0.3517 | |
| 399 | S | A | 0.4506 | |
| 400 | I | A | 2.0228 | |
| 401 | F | A | 2.8506 | |
| 402 | W | A | 1.0368 | |
| 403 | T | A | -0.4951 | |
| 404 | E | A | -2.0426 | |
| 405 | T | A | -1.1568 | |
| 406 | L | A | -0.3118 | |
| 407 | W | A | 0.1410 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | -0.6470 | |
| 410 | E | A | -2.4132 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | -1.9277 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.6551 | |
| 415 | A | A | -1.8221 | |
| 416 | K | A | -2.0961 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | -1.6463 | |
| 420 | D | A | -1.6417 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | R | A | -2.2404 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | -0.4108 | |
| 426 | R | A | -1.5459 | |
| 427 | A | A | -0.7481 | |
| 428 | P | A | -0.5637 | |
| 429 | P | A | -0.0861 | |
| 430 | L | A | 0.0018 | |
| 431 | T | A | -0.4280 | |
| 432 | H | A | -0.9370 | |
| 433 | Q | A | -0.0403 | |
| 434 | V | A | 0.8110 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | 1.1616 | |
| 437 | I | A | 0.8835 | |
| 438 | P | A | 0.2191 | |
| 439 | P | A | -0.3898 | |
| 440 | G | A | -0.4054 | |
| 441 | G | A | 0.1224 | |
| 442 | P | A | 0.3061 | |
| 443 | I | A | 1.3215 | |
| 444 | P | A | -0.0334 | |
| 445 | K | A | -1.4032 | |
| 446 | S | A | -0.8536 | |
| 447 | T | A | -0.6209 | |
| 448 | T | A | -0.7112 | |
| 449 | D | A | -0.3299 | |
| 450 | Y | A | 0.2878 | |
| 451 | A | A | 0.8998 | |
| 452 | W | A | 1.1938 | |
| 453 | Q | A | 0.0000 | |
| 454 | T | A | 0.5333 | |
| 455 | S | A | -0.1560 | |
| 456 | T | A | -0.7983 | |
| 457 | N | A | -1.3163 | |
| 458 | P | A | 0.0000 | |
| 459 | S | A | 0.3559 | |
| 460 | I | A | 1.5716 | |
| 461 | F | A | 2.0399 | |
| 462 | W | A | 0.0000 | |
| 463 | T | A | -0.4017 | |
| 464 | E | A | -1.4062 | |
| 465 | E | A | -1.0489 | |
| 466 | L | A | -0.1628 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -0.8840 | |
| 470 | G | A | -1.5885 | |
| 471 | N | A | 0.0000 | |
| 472 | E | A | -2.5469 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.4072 | |
| 475 | D | A | -1.5136 | |
| 476 | E | A | -1.8357 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.4147 | |
| 480 | L | A | -1.2610 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.0351 | |
| 484 | T | A | -0.6446 | |
| 485 | L | A | 0.4571 | |
| 486 | L | A | 0.0722 | |
| 487 | P | A | -0.1117 | |
| 488 | P | A | 0.0757 | |
| 489 | L | A | 0.1375 | |
| 490 | T | A | -0.4627 | |
| 491 | H | A | -1.0165 | |
| 492 | Q | A | -0.3038 | |
| 493 | V | A | 0.5223 | |
| 494 | M | A | 0.0000 | |
| 495 | Y | A | 0.9985 | |
| 496 | I | A | 0.7929 | |
| 497 | P | A | 0.1307 | |
| 498 | P | A | -0.4231 | |
| 499 | G | A | -0.4088 | |
| 500 | G | A | 0.0677 | |
| 501 | P | A | 0.3436 | |
| 502 | I | A | 1.4143 | |
| 503 | P | A | -0.0011 | |
| 504 | K | A | -1.3876 | |
| 505 | S | A | -0.8523 | |
| 506 | T | A | -0.7059 | |
| 507 | T | A | -0.5486 | |
| 508 | D | A | -0.5109 | |
| 509 | Y | A | 0.0522 | |
| 510 | A | A | 0.5969 | |
| 511 | W | A | 1.1218 | |
| 512 | Q | A | 0.0000 | |
| 513 | T | A | 0.6375 | |
| 514 | S | A | 0.0360 | |
| 515 | T | A | -0.5409 | |
| 516 | N | A | -0.9669 | |
| 517 | P | A | 0.0000 | |
| 518 | S | A | 0.1777 | |
| 519 | I | A | 0.8420 | |
| 520 | F | A | 1.4483 | |
| 521 | W | A | 0.4696 | |
| 522 | T | A | -0.4435 | |
| 523 | E | A | -1.1655 | |
| 524 | S | A | -0.6536 | |
| 525 | L | A | -0.1686 | |
| 526 | W | A | 0.2085 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -1.1965 | |
| 529 | S | A | -1.7622 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.5781 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.1611 | |
| 534 | A | A | -1.2254 | |
| 535 | A | A | -0.8372 | |
| 536 | C | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -0.8809 | |
| 539 | H | A | -0.8905 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | -0.7073 | |
| 542 | S | A | -0.4402 | |
| 543 | V | A | 0.1993 | |
| 544 | L | A | 0.1599 | |
| 545 | A | A | -0.3128 | |
| 546 | Q | A | -0.5419 | |
| 547 | P | A | -0.3976 | |
| 548 | P | A | -0.2531 | |
| 549 | L | A | -0.4274 | |
| 550 | T | A | -0.6361 | |
| 551 | H | A | -0.9798 | |
| 552 | Q | A | -0.1451 | |
| 553 | V | A | 0.3774 | |
| 554 | M | A | 0.0000 | |
| 555 | Y | A | 1.1077 | |
| 556 | I | A | 0.0000 | |
| 557 | P | A | 0.1158 | |
| 558 | P | A | -0.4623 | |
| 559 | G | A | -0.4799 | |
| 560 | G | A | -0.0082 | |
| 561 | P | A | 0.1437 | |
| 562 | I | A | 0.9974 | |
| 563 | P | A | -0.1861 | |
| 564 | K | A | -1.4613 | |
| 565 | S | A | -0.8770 | |
| 566 | T | A | -0.6795 | |
| 567 | T | A | -0.6945 | |
| 568 | D | A | -0.3657 | |
| 569 | Y | A | 0.3388 | |
| 570 | A | A | 0.7599 | |
| 571 | W | A | 1.0563 | |
| 572 | Q | A | 0.7143 | |
| 573 | T | A | 0.5154 | |
| 574 | S | A | 0.0245 | |
| 575 | T | A | -0.4740 | |
| 576 | N | A | -0.8593 | |
| 577 | P | A | -0.3254 | |
| 578 | S | A | 0.1954 | |
| 579 | I | A | 0.9613 | |
| 580 | F | A | 1.2375 | |
| 581 | W | A | 0.0000 | |
| 582 | T | A | -0.3498 | |
| 583 | E | A | -0.9673 | |
| 584 | E | A | -0.6886 | |
| 585 | L | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | N | A | -2.4917 | |
| 590 | N | A | 0.0000 | |
| 591 | R | A | -3.1300 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | -2.7929 | |
| 594 | D | A | -1.9224 | |
| 595 | A | A | -1.1942 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | R | A | -2.2228 | |
| 599 | E | A | -2.1937 | |
| 600 | L | A | 0.0000 | |
| 601 | C | A | 0.0000 | |
| 602 | Q | A | -1.8075 | |
| 603 | G | A | 0.0000 | |
| 604 | L | A | -0.0921 | |
| 605 | G | A | -0.3927 | |
| 606 | P | A | -0.0860 | |
| 607 | P | A | 0.1662 | |
| 608 | L | A | 0.1454 | |
| 609 | T | A | -0.3473 | |
| 610 | H | A | -0.8540 | |
| 611 | Q | A | -0.2154 | |
| 612 | V | A | 0.5553 | |
| 613 | M | A | 0.0000 | |
| 614 | Y | A | 1.0221 | |
| 615 | I | A | 0.7799 | |
| 616 | P | A | 0.1455 | |
| 617 | P | A | -0.4136 | |
| 618 | G | A | -0.4185 | |
| 619 | G | A | 0.0528 | |
| 620 | P | A | 0.2960 | |
| 621 | I | A | 1.3265 | |
| 622 | P | A | -0.0531 | |
| 623 | K | A | -1.4098 | |
| 624 | S | A | -0.8803 | |
| 625 | T | A | -0.6845 | |
| 626 | T | A | -0.6409 | |
| 627 | D | A | -0.4448 | |
| 628 | Y | A | 0.3858 | |
| 629 | A | A | 0.0000 | |
| 630 | W | A | 1.0790 | |
| 631 | Q | A | 0.6960 | |
| 632 | T | A | 0.6158 | |
| 633 | S | A | 0.0613 | |
| 634 | T | A | -0.5710 | |
| 635 | N | A | -0.8777 | |
| 636 | P | A | 0.0000 | |
| 637 | S | A | 0.2128 | |
| 638 | I | A | 0.9211 | |
| 639 | F | A | 1.2377 | |
| 640 | W | A | 0.0000 | |
| 641 | T | A | -0.2714 | |
| 642 | E | A | -0.8353 | |
| 643 | V | A | -0.4066 | |
| 644 | L | A | -0.0324 | |
| 645 | W | A | -0.1000 | |
| 646 | L | A | 0.0000 | |
| 647 | A | A | -1.2637 | |
| 648 | D | A | -2.8859 | |
| 649 | C | A | 0.0000 | |
| 650 | D | A | -2.6570 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | -0.7110 | |
| 653 | D | A | -0.7584 | |
| 654 | S | A | -0.8881 | |
| 655 | S | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | S | A | -0.4397 | |
| 658 | S | A | -0.7088 | |
| 659 | L | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.3167 | |
| 662 | T | A | 0.2336 | |
| 663 | L | A | 0.7224 | |
| 664 | L | A | 1.0517 | |
| 665 | A | A | 0.5439 | |
| 666 | P | A | 0.1457 | |
| 667 | P | A | 0.2177 | |
| 668 | L | A | -0.1626 | |
| 669 | T | A | -0.4115 | |
| 670 | H | A | -0.5689 | |
| 671 | Q | A | 0.0000 | |
| 672 | V | A | 0.5437 | |
| 673 | M | A | 0.0000 | |
| 674 | Y | A | 1.0882 | |
| 675 | I | A | 0.0000 | |
| 676 | P | A | 0.1816 | |
| 677 | P | A | -0.4572 | |
| 678 | G | A | -0.4242 | |
| 679 | G | A | 0.1238 | |
| 680 | P | A | 0.3310 | |
| 681 | I | A | 1.3721 | |
| 682 | P | A | 0.0085 | |
| 683 | K | A | -1.3844 | |
| 684 | S | A | -0.8179 | |
| 685 | T | A | -0.5760 | |
| 686 | T | A | -0.4819 | |
| 687 | D | A | -0.3824 | |
| 688 | Y | A | 0.4649 | |
| 689 | A | A | 0.9496 | |
| 690 | W | A | 1.2370 | |
| 691 | Q | A | 0.7950 | |
| 692 | T | A | 0.6843 | |
| 693 | S | A | 0.0845 | |
| 694 | T | A | -0.5192 | |
| 695 | N | A | -0.8160 | |
| 696 | P | A | 0.0000 | |
| 697 | S | A | 0.1967 | |
| 698 | I | A | 0.9816 | |
| 699 | F | A | 1.5202 | |
| 700 | W | A | 0.6559 | |
| 701 | T | A | -0.1038 | |
| 702 | E | A | -0.7201 | |
| 703 | E | A | -0.6893 | |
| 704 | L | A | 0.0000 | |
| 705 | D | A | 0.0328 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | 0.0000 | |
| 708 | N | A | -1.2647 | |
| 709 | N | A | 0.0000 | |
| 710 | C | A | 0.0495 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.0139 | |
| 713 | D | A | -0.9209 | |
| 714 | A | A | -0.4194 | |
| 715 | G | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | L | A | -0.6843 | |
| 718 | Q | A | -1.0838 | |
| 719 | L | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | E | A | -1.7760 | |
| 722 | S | A | 0.0000 | |
| 723 | V | A | -0.3836 | |
| 724 | R | A | -0.8444 | |
| 725 | P | A | -0.4324 | |
| 726 | P | A | -0.1306 | |
| 727 | L | A | 0.0011 | |
| 728 | T | A | -0.3149 | |
| 729 | H | A | -0.9021 | |
| 730 | Q | A | 0.0000 | |
| 731 | V | A | 0.6977 | |
| 732 | M | A | 0.0000 | |
| 733 | Y | A | 1.1904 | |
| 734 | I | A | 1.0099 | |
| 735 | P | A | 0.3129 | |
| 736 | P | A | -0.3644 | |
| 737 | G | A | -0.3805 | |
| 738 | G | A | 0.1984 | |
| 739 | P | A | 0.3826 | |
| 740 | I | A | 1.4742 | |
| 741 | P | A | 0.0660 | |
| 742 | K | A | -1.3645 | |
| 743 | S | A | -0.8524 | |
| 744 | T | A | -0.6528 | |
| 745 | T | A | -0.4434 | |
| 746 | D | A | -0.3241 | |
| 747 | Y | A | 0.5702 | |
| 748 | A | A | 0.8565 | |
| 749 | W | A | 1.1055 | |
| 750 | Q | A | 0.8763 | |
| 751 | T | A | 0.6444 | |
| 752 | S | A | 0.0601 | |
| 753 | T | A | -0.7608 | |
| 754 | N | A | -1.1445 | |
| 755 | P | A | -0.4420 | |
| 756 | S | A | 0.4109 | |
| 757 | I | A | 1.5053 | |
| 758 | F | A | 2.0431 | |
| 759 | W | A | 1.1084 | |
| 760 | T | A | -0.1083 | |
| 761 | E | A | -0.9343 | |
| 762 | Q | A | -0.8527 | |
| 763 | L | A | 0.0000 | |
| 764 | V | A | 0.2963 | |
| 765 | L | A | 0.0000 | |
| 766 | Y | A | 0.7677 | |
| 767 | D | A | -0.8292 | |
| 768 | I | A | 0.0000 | |
| 769 | Y | A | 0.8853 | |
| 770 | W | A | -0.3884 | |
| 771 | S | A | -1.8325 | |
| 772 | E | A | -3.4359 | |
| 773 | E | A | -3.8059 | |
| 774 | M | A | 0.0000 | |
| 775 | E | A | -3.1939 | |
| 776 | D | A | -4.1284 | |
| 777 | R | A | -3.3125 | |
| 778 | L | A | 0.0000 | |
| 779 | Q | A | -3.3616 | |
| 780 | A | A | -2.8668 | |
| 781 | L | A | -2.6678 | |
| 782 | E | A | -3.9588 | |
| 783 | K | A | -3.7883 | |
| 784 | D | A | -3.1205 | |
| 785 | P | A | -1.6030 | |
| 786 | P | A | -0.7826 | |
| 787 | L | A | 0.8263 | |
| 788 | T | A | 0.1494 | |
| 789 | H | A | -0.4687 | |
| 790 | Q | A | -0.3322 | |
| 791 | V | A | 0.1767 | |
| 792 | M | A | 0.0000 | |
| 793 | Y | A | 0.8086 | |
| 794 | I | A | 0.7843 | |
| 795 | P | A | 0.2769 | |
| 796 | P | A | -0.3683 | |
| 797 | G | A | -0.3828 | |
| 798 | G | A | 0.2004 | |
| 799 | P | A | 0.3974 | |
| 800 | I | A | 1.4752 | |
| 801 | P | A | 0.1988 | |
| 802 | K | A | -1.3166 | |
| 803 | S | A | -0.7602 | |
| 804 | T | A | -0.4373 | |
| 805 | T | A | -0.3438 | |
| 806 | D | A | -0.2086 | |
| 807 | Y | A | 0.4266 | |
| 808 | A | A | 0.6084 | |
| 809 | W | A | 0.6131 | |
| 810 | Q | A | -0.4467 | |
| 811 | T | A | -0.3160 | |
| 812 | S | A | -0.6969 | |
| 813 | T | A | -0.9474 | |
| 814 | N | A | -1.5137 | |
| 815 | P | A | -0.5673 | |
| 816 | S | A | 0.3629 | |
| 817 | I | A | 1.6289 | |
| 818 | F | A | 2.6785 | |
| 819 | W | A | 1.2063 | |
| 820 | T | A | -0.2479 | |
| 821 | E | A | -1.6783 | |
| 822 | R | A | -1.7428 | |
| 823 | V | A | -0.5843 | |
| 824 | I | A | 0.4658 | |
| 825 | S | A | 0.0668 |
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, -0.4283 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 |
|||
| input | -0.4283 | View | CSV | PDB |
| model_9 | -0.4804 | View | CSV | PDB |
| model_11 | -0.4835 | View | CSV | PDB |
| model_2 | -0.4901 | View | CSV | PDB |
| model_0 | -0.5067 | View | CSV | PDB |
| model_3 | -0.507 | View | CSV | PDB |
| model_10 | -0.5101 | View | CSV | PDB |
| model_8 | -0.5105 | View | CSV | PDB |
| CABS_average | -0.5174 | View | CSV | PDB |
| model_5 | -0.5314 | View | CSV | PDB |
| model_4 | -0.5314 | View | CSV | PDB |
| model_7 | -0.5441 | View | CSV | PDB |
| model_6 | -0.5562 | View | CSV | PDB |
| model_1 | -0.557 | 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