Project name: 557f04f05fc6456 [mutate: LP356B, LP356A]
Status: done
Started: 2025-05-11 07:21:24
| Chain sequence(s) |
A: MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL
B: MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | LP356B,LP356A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 9.71399 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 all 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] FoldX: Building mutant model (00:14:20)
[INFO] CABS: Running CABS flex simulation (00:14:30)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:21:19)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:21:24)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:21:29)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:21:34)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:21:39)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:21:44)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:21:50)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:21:56)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:22:01)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:22:07)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:22:12)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:22:17)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:22:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:22:34)
[INFO] Main: Simulation completed successfully. (02:22:39)
|
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
- -4.1243
- Maximal score value
- 1.8989
- Average score
- -0.6846
- Total score value
- -536.7482
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 | M | A | 1.0565 | |
| 2 | A | A | 0.4264 | |
| 3 | A | A | 0.4291 | |
| 4 | L | A | 1.0471 | |
| 5 | R | A | -0.6596 | |
| 6 | Q | A | -0.7068 | |
| 7 | P | A | -1.3912 | |
| 8 | Q | A | -1.4135 | |
| 9 | V | A | -0.7033 | |
| 10 | A | A | -0.9656 | |
| 11 | E | A | -2.1584 | |
| 12 | L | A | 0.0000 | |
| 13 | L | A | -1.2693 | |
| 14 | A | A | -1.9720 | |
| 15 | E | A | -2.4861 | |
| 16 | A | A | 0.0000 | |
| 17 | R | A | -4.0334 | |
| 18 | R | A | -4.1217 | |
| 19 | A | A | 0.0000 | |
| 20 | F | A | 0.0000 | |
| 21 | R | A | -3.8934 | |
| 22 | E | A | -3.5628 | |
| 23 | E | A | -1.9475 | |
| 24 | F | A | 0.0568 | |
| 25 | G | A | -0.6102 | |
| 26 | A | A | -0.4206 | |
| 27 | E | A | -0.9772 | |
| 28 | P | A | -0.9056 | |
| 29 | E | A | -0.6579 | |
| 30 | L | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | S | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | P | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | R | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | N | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | E | A | 0.0000 | |
| 44 | H | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | D | A | -0.8026 | |
| 47 | Y | A | 0.0000 | |
| 48 | N | A | -2.3198 | |
| 49 | Q | A | -2.3821 | |
| 50 | G | A | 0.0000 | |
| 51 | L | A | -0.8629 | |
| 52 | V | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | 0.0000 | |
| 55 | M | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | E | A | -0.6553 | |
| 59 | L | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | T | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | P | A | 0.0000 | |
| 68 | R | A | -3.2985 | |
| 69 | K | A | -3.4313 | |
| 70 | D | A | -3.1157 | |
| 71 | G | A | -1.6014 | |
| 72 | L | A | -1.1351 | |
| 73 | V | A | 0.0000 | |
| 74 | S | A | -0.8583 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | -0.9198 | |
| 77 | T | A | -0.9417 | |
| 78 | T | A | -1.6055 | |
| 79 | S | A | -2.0499 | |
| 80 | E | A | -2.8064 | |
| 81 | G | A | -1.9238 | |
| 82 | A | A | -2.1263 | |
| 83 | D | A | -3.1806 | |
| 84 | E | A | -3.0061 | |
| 85 | P | A | -2.1248 | |
| 86 | Q | A | -1.9874 | |
| 87 | R | A | -2.4559 | |
| 88 | L | A | 0.0000 | |
| 89 | Q | A | -1.7980 | |
| 90 | F | A | 0.0000 | |
| 91 | P | A | -0.6930 | |
| 92 | L | A | -1.1016 | |
| 93 | P | A | -1.4023 | |
| 94 | T | A | -1.3980 | |
| 95 | A | A | -1.3085 | |
| 96 | Q | A | -2.0922 | |
| 97 | R | A | -2.6295 | |
| 98 | S | A | -1.7333 | |
| 99 | L | A | -1.2972 | |
| 100 | E | A | -1.6002 | |
| 101 | P | A | -1.1830 | |
| 102 | G | A | -1.3222 | |
| 103 | T | A | -1.3911 | |
| 104 | P | A | -1.3663 | |
| 105 | R | A | -1.5762 | |
| 106 | W | A | -0.1495 | |
| 107 | A | A | 0.0000 | |
| 108 | N | A | -0.9455 | |
| 109 | Y | A | -0.3089 | |
| 110 | V | A | 0.0000 | |
| 111 | K | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | Q | A | -0.6056 | |
| 116 | Y | A | 0.2748 | |
| 117 | Y | A | 0.0000 | |
| 118 | P | A | -0.1386 | |
| 119 | A | A | -0.2251 | |
| 120 | A | A | -0.1791 | |
| 121 | P | A | -0.4275 | |
| 122 | L | A | 0.0000 | |
| 123 | P | A | -1.5740 | |
| 124 | G | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | S | A | -0.7802 | |
| 132 | S | A | 0.0000 | |
| 133 | V | A | -0.8505 | |
| 134 | P | A | -0.5370 | |
| 135 | L | A | 0.0000 | |
| 136 | G | A | -0.6365 | |
| 137 | G | A | -0.5861 | |
| 138 | G | A | -0.3475 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | S | A | -0.0112 | |
| 142 | S | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -0.3945 | |
| 155 | Q | A | -0.0845 | |
| 156 | L | A | 0.6407 | |
| 157 | C | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | D | A | -1.7812 | |
| 160 | S | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | I | A | 0.0604 | |
| 164 | A | A | 0.0000 | |
| 165 | A | A | -0.1667 | |
| 166 | R | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | Q | A | -0.8113 | |
| 169 | V | A | -0.1640 | |
| 170 | C | A | 0.0000 | |
| 171 | Q | A | 0.0000 | |
| 172 | Q | A | -1.1015 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | H | A | -1.0824 | |
| 176 | S | A | -0.6447 | |
| 177 | F | A | -0.3758 | |
| 178 | A | A | -0.5456 | |
| 179 | G | A | -0.5781 | |
| 180 | M | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | C | A | 0.0000 | |
| 183 | G | A | -0.4709 | |
| 184 | I | A | -0.1633 | |
| 185 | M | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | Q | A | 0.0000 | |
| 188 | F | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | Q | A | 0.0000 | |
| 195 | K | A | -0.5053 | |
| 196 | G | A | 0.0000 | |
| 197 | H | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -0.0141 | |
| 201 | I | A | 0.0000 | |
| 202 | D | A | -1.3441 | |
| 203 | C | A | 0.0000 | |
| 204 | R | A | -2.5885 | |
| 205 | S | A | -1.6903 | |
| 206 | L | A | -0.6976 | |
| 207 | E | A | -1.0601 | |
| 208 | T | A | 0.0000 | |
| 209 | S | A | -0.2773 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | S | A | -1.0882 | |
| 215 | D | A | -1.5081 | |
| 216 | P | A | -1.3284 | |
| 217 | K | A | -1.3038 | |
| 218 | L | A | 0.0000 | |
| 219 | A | A | -0.5573 | |
| 220 | V | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | T | A | 0.0000 | |
| 224 | N | A | -0.4426 | |
| 225 | S | A | 0.0000 | |
| 226 | N | A | -1.7443 | |
| 227 | V | A | -1.5355 | |
| 228 | R | A | -1.9724 | |
| 229 | H | A | -1.0583 | |
| 230 | S | A | 0.0026 | |
| 231 | L | A | 1.2125 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | 0.4744 | |
| 234 | S | A | 0.5516 | |
| 235 | E | A | 0.0000 | |
| 236 | Y | A | -0.1724 | |
| 237 | P | A | -0.3569 | |
| 238 | V | A | 0.1315 | |
| 239 | R | A | 0.0000 | |
| 240 | R | A | -1.9410 | |
| 241 | R | A | -2.6776 | |
| 242 | Q | A | -2.2103 | |
| 243 | C | A | 0.0000 | |
| 244 | E | A | -3.4909 | |
| 245 | E | A | -3.4213 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | R | A | -3.2151 | |
| 249 | A | A | -1.8562 | |
| 250 | L | A | -1.7035 | |
| 251 | G | A | -2.1208 | |
| 252 | K | A | -3.2634 | |
| 253 | E | A | -3.5644 | |
| 254 | S | A | -3.0127 | |
| 255 | L | A | 0.0000 | |
| 256 | R | A | -3.4063 | |
| 257 | E | A | -3.1231 | |
| 258 | V | A | 0.0000 | |
| 259 | Q | A | -3.0996 | |
| 260 | L | A | -2.5549 | |
| 261 | E | A | -3.5471 | |
| 262 | E | A | -3.1964 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | -3.8916 | |
| 265 | A | A | -2.2564 | |
| 266 | A | A | -2.0169 | |
| 267 | R | A | -3.4969 | |
| 268 | D | A | -2.4518 | |
| 269 | L | A | -0.6509 | |
| 270 | V | A | 0.0000 | |
| 271 | S | A | -1.9742 | |
| 272 | K | A | -2.9948 | |
| 273 | E | A | -2.3800 | |
| 274 | G | A | 0.0000 | |
| 275 | F | A | -2.7979 | |
| 276 | R | A | -3.1895 | |
| 277 | R | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | R | A | -3.1889 | |
| 280 | H | A | -1.9791 | |
| 281 | V | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | G | A | -1.5257 | |
| 284 | E | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | R | A | -2.4369 | |
| 287 | R | A | -1.8348 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | -1.1785 | |
| 290 | Q | A | -1.7366 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | -1.1352 | |
| 294 | A | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | R | A | -1.9556 | |
| 297 | R | A | -2.6093 | |
| 298 | G | A | -1.9310 | |
| 299 | D | A | -1.5461 | |
| 300 | Y | A | -1.3422 | |
| 301 | R | A | -2.0397 | |
| 302 | A | A | -1.7339 | |
| 303 | F | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | R | A | -2.1415 | |
| 306 | L | A | 0.0000 | |
| 307 | M | A | 0.0000 | |
| 308 | V | A | -0.7352 | |
| 309 | E | A | -1.7207 | |
| 310 | S | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | R | A | -3.1733 | |
| 313 | S | A | -2.7761 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -3.7259 | |
| 316 | D | A | -3.7358 | |
| 317 | D | A | -2.7976 | |
| 318 | Y | A | 0.0000 | |
| 319 | E | A | -1.6660 | |
| 320 | V | A | -0.1259 | |
| 321 | S | A | -1.1392 | |
| 322 | C | A | -0.8684 | |
| 323 | P | A | -0.9522 | |
| 324 | E | A | -1.4443 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | -1.8966 | |
| 327 | Q | A | -1.7233 | |
| 328 | L | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -1.3636 | |
| 331 | A | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | L | A | 1.0798 | |
| 334 | A | A | 0.3941 | |
| 335 | V | A | -0.0356 | |
| 336 | P | A | -0.1583 | |
| 337 | G | A | -0.2124 | |
| 338 | V | A | 0.0590 | |
| 339 | Y | A | -0.4811 | |
| 340 | G | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | R | A | 0.0000 | |
| 343 | M | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | G | A | -0.0638 | |
| 346 | G | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | G | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | C | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | P | A | 0.0000 | mutated: LP356A |
| 357 | E | A | -1.7849 | |
| 358 | A | A | -1.0912 | |
| 359 | S | A | -0.8287 | |
| 360 | A | A | -1.0155 | |
| 361 | A | A | -0.6556 | |
| 362 | P | A | -0.9724 | |
| 363 | H | A | -1.4865 | |
| 364 | A | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | R | A | -2.8806 | |
| 367 | H | A | -2.4441 | |
| 368 | I | A | 0.0000 | |
| 369 | Q | A | -2.5455 | |
| 370 | E | A | -3.2401 | |
| 371 | H | A | -2.8120 | |
| 372 | Y | A | -1.7705 | |
| 373 | G | A | -1.4078 | |
| 374 | G | A | -1.1847 | |
| 375 | T | A | -0.6757 | |
| 376 | A | A | 0.0000 | |
| 377 | T | A | -0.2215 | |
| 378 | F | A | 0.0000 | |
| 379 | Y | A | 0.0000 | |
| 380 | L | A | 1.2261 | |
| 381 | S | A | 0.0000 | |
| 382 | Q | A | -0.4913 | |
| 383 | A | A | 0.0000 | |
| 384 | A | A | -0.7351 | |
| 385 | D | A | -0.7850 | |
| 386 | G | A | -0.4367 | |
| 387 | A | A | 0.0364 | |
| 388 | K | A | -0.1308 | |
| 389 | V | A | 0.0000 | |
| 390 | L | A | 0.9710 | |
| 391 | C | A | 1.3120 | |
| 392 | L | A | 1.8594 | |
| 1 | M | B | 0.8859 | |
| 2 | A | B | 0.1911 | |
| 3 | A | B | 0.1383 | |
| 4 | L | B | -0.3460 | |
| 5 | R | B | -1.8344 | |
| 6 | Q | B | -1.3781 | |
| 7 | P | B | -1.2229 | |
| 8 | Q | B | -1.2984 | |
| 9 | V | B | -0.5951 | |
| 10 | A | B | -0.7678 | |
| 11 | E | B | -2.2358 | |
| 12 | L | B | 0.0000 | |
| 13 | L | B | -1.3900 | |
| 14 | A | B | -2.0866 | |
| 15 | E | B | -2.6272 | |
| 16 | A | B | 0.0000 | |
| 17 | R | B | -3.9249 | |
| 18 | R | B | -4.1243 | |
| 19 | A | B | -2.5762 | |
| 20 | F | B | 0.0000 | |
| 21 | R | B | -3.4868 | |
| 22 | E | B | -3.3709 | |
| 23 | E | B | -1.6343 | |
| 24 | F | B | 0.6934 | |
| 25 | G | B | -0.9627 | |
| 26 | A | B | -1.1739 | |
| 27 | E | B | -2.0218 | |
| 28 | P | B | -0.9834 | |
| 29 | E | B | -0.8886 | |
| 30 | L | B | 0.1690 | |
| 31 | A | B | 0.0000 | |
| 32 | V | B | 0.0000 | |
| 33 | S | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | P | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | R | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | N | B | 0.0000 | |
| 40 | L | B | 0.0000 | |
| 41 | I | B | 0.0000 | |
| 42 | G | B | 0.0000 | |
| 43 | E | B | 0.0000 | |
| 44 | H | B | 0.0000 | |
| 45 | T | B | 0.0000 | |
| 46 | D | B | 0.0000 | |
| 47 | Y | B | -1.2623 | |
| 48 | N | B | -1.1281 | |
| 49 | Q | B | -1.0974 | |
| 50 | G | B | 0.0000 | |
| 51 | L | B | -0.2114 | |
| 52 | V | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | P | B | 0.0000 | |
| 55 | M | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | E | B | 0.0000 | |
| 59 | L | B | 0.0000 | |
| 60 | M | B | 0.0000 | |
| 61 | T | B | 0.0000 | |
| 62 | V | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | V | B | 0.0000 | |
| 65 | G | B | 0.0000 | |
| 66 | S | B | 0.0000 | |
| 67 | P | B | -1.5655 | |
| 68 | R | B | -2.7512 | |
| 69 | K | B | -2.9217 | |
| 70 | D | B | -2.1887 | |
| 71 | G | B | -0.9627 | |
| 72 | L | B | -0.4676 | |
| 73 | V | B | 0.0000 | |
| 74 | S | B | -0.5481 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | -0.9787 | |
| 77 | T | B | 0.0000 | |
| 78 | T | B | -1.6371 | |
| 79 | S | B | 0.0000 | |
| 80 | E | B | -1.9858 | |
| 81 | G | B | -1.4877 | |
| 82 | A | B | -1.7523 | |
| 83 | D | B | -3.0868 | |
| 84 | E | B | -3.1413 | |
| 85 | P | B | -2.2877 | |
| 86 | Q | B | -2.3652 | |
| 87 | R | B | -2.4615 | |
| 88 | L | B | 0.0000 | |
| 89 | Q | B | -1.3160 | |
| 90 | F | B | -0.0794 | |
| 91 | P | B | 0.3226 | |
| 92 | L | B | 1.2516 | |
| 93 | P | B | 0.0000 | |
| 94 | T | B | 0.1675 | |
| 95 | A | B | -0.1261 | |
| 96 | Q | B | -0.7713 | |
| 97 | R | B | -0.4279 | |
| 98 | S | B | 0.0000 | |
| 99 | L | B | 0.3122 | |
| 100 | E | B | -1.3446 | |
| 101 | P | B | -0.9314 | |
| 102 | G | B | -1.1040 | |
| 103 | T | B | -1.1121 | |
| 104 | P | B | -1.6320 | |
| 105 | R | B | -2.0581 | |
| 106 | W | B | 0.0000 | |
| 107 | A | B | 0.0000 | |
| 108 | N | B | 0.0000 | |
| 109 | Y | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | K | B | 0.0000 | |
| 112 | G | B | 0.0000 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | Q | B | 0.0000 | |
| 116 | Y | B | 0.5123 | |
| 117 | Y | B | 1.1711 | |
| 118 | P | B | 0.3783 | |
| 119 | A | B | 0.0000 | |
| 120 | A | B | 0.5550 | |
| 121 | P | B | 0.7937 | |
| 122 | L | B | 1.0031 | |
| 123 | P | B | 0.0811 | |
| 124 | G | B | 0.0000 | |
| 125 | F | B | 0.0000 | |
| 126 | S | B | 0.0000 | |
| 127 | A | B | 0.0000 | |
| 128 | V | B | 0.0000 | |
| 129 | V | B | 0.0000 | |
| 130 | V | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | S | B | 0.0000 | |
| 133 | V | B | -0.3988 | |
| 134 | P | B | 0.0000 | |
| 135 | L | B | 0.1831 | |
| 136 | G | B | 0.1985 | |
| 137 | G | B | 0.1933 | |
| 138 | G | B | 0.1090 | |
| 139 | L | B | 0.0932 | |
| 140 | S | B | 0.0000 | |
| 141 | S | B | 0.0000 | |
| 142 | S | B | -0.1431 | |
| 143 | A | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | E | B | 0.0000 | |
| 147 | V | B | 0.0000 | |
| 148 | A | B | 0.0000 | |
| 149 | T | B | 0.0000 | |
| 150 | Y | B | 0.0000 | |
| 151 | T | B | 0.0000 | |
| 152 | F | B | 0.6056 | |
| 153 | L | B | 0.0000 | |
| 154 | Q | B | 0.0000 | |
| 155 | Q | B | 0.2548 | |
| 156 | L | B | 0.8418 | |
| 157 | C | B | 0.2924 | |
| 158 | P | B | -0.3612 | |
| 159 | D | B | -0.8353 | |
| 160 | S | B | -0.6405 | |
| 161 | G | B | -0.8192 | |
| 162 | T | B | -0.6556 | |
| 163 | I | B | 0.0000 | |
| 164 | A | B | -0.4966 | |
| 165 | A | B | -0.6449 | |
| 166 | R | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | Q | B | -1.2178 | |
| 169 | V | B | 0.0000 | |
| 170 | C | B | 0.0000 | |
| 171 | Q | B | -0.7245 | |
| 172 | Q | B | -0.8264 | |
| 173 | A | B | 0.0000 | |
| 174 | E | B | 0.0000 | |
| 175 | H | B | -0.5747 | |
| 176 | S | B | -0.1229 | |
| 177 | F | B | 0.5131 | |
| 178 | A | B | 0.2875 | |
| 179 | G | B | -0.0440 | |
| 180 | M | B | 0.0418 | |
| 181 | P | B | 0.0000 | |
| 182 | C | B | 0.0000 | |
| 183 | G | B | 0.0000 | |
| 184 | I | B | 0.1523 | |
| 185 | M | B | 0.0000 | |
| 186 | D | B | 0.0000 | |
| 187 | Q | B | 0.0000 | |
| 188 | F | B | 0.0608 | |
| 189 | I | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | G | B | 0.0000 | |
| 194 | Q | B | 0.0000 | |
| 195 | K | B | 0.0000 | |
| 196 | G | B | 0.0000 | |
| 197 | H | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | L | B | 0.0000 | |
| 201 | I | B | 0.0000 | |
| 202 | D | B | 0.0000 | |
| 203 | C | B | -0.6649 | |
| 204 | R | B | -2.1836 | |
| 205 | S | B | -1.5715 | |
| 206 | L | B | 0.0000 | |
| 207 | E | B | -0.8293 | |
| 208 | T | B | 0.0000 | |
| 209 | S | B | -0.2275 | |
| 210 | L | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | P | B | 0.0000 | |
| 213 | L | B | -0.5740 | |
| 214 | S | B | -0.7735 | |
| 215 | D | B | -1.7051 | |
| 216 | P | B | 0.0000 | |
| 217 | K | B | -2.5436 | |
| 218 | L | B | -1.2470 | |
| 219 | A | B | -0.4007 | |
| 220 | V | B | 0.0000 | |
| 221 | L | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | T | B | 0.0000 | |
| 224 | N | B | 0.0000 | |
| 225 | S | B | -0.1332 | |
| 226 | N | B | -0.1848 | |
| 227 | V | B | 1.1034 | |
| 228 | R | B | 0.3762 | |
| 229 | H | B | -0.0531 | |
| 230 | S | B | 0.0711 | |
| 231 | L | B | 0.6290 | |
| 232 | A | B | 0.0000 | |
| 233 | S | B | 0.0054 | |
| 234 | S | B | 0.0143 | |
| 235 | E | B | 0.0000 | |
| 236 | Y | B | 0.0000 | |
| 237 | P | B | -0.6095 | |
| 238 | V | B | -0.3467 | |
| 239 | R | B | 0.0000 | |
| 240 | R | B | -1.6113 | |
| 241 | R | B | -2.2341 | |
| 242 | Q | B | -1.9268 | |
| 243 | C | B | 0.0000 | |
| 244 | E | B | -2.8068 | |
| 245 | E | B | -2.5726 | |
| 246 | V | B | 0.0000 | |
| 247 | A | B | -2.6424 | |
| 248 | R | B | -2.9754 | |
| 249 | A | B | -1.2732 | |
| 250 | L | B | -1.5643 | |
| 251 | G | B | -2.0997 | |
| 252 | K | B | -2.5062 | |
| 253 | E | B | -3.1309 | |
| 254 | S | B | -2.2798 | |
| 255 | L | B | 0.0000 | |
| 256 | R | B | -2.6950 | |
| 257 | E | B | -2.6263 | |
| 258 | V | B | 0.0000 | |
| 259 | Q | B | -2.0300 | |
| 260 | L | B | -1.2534 | |
| 261 | E | B | -2.5907 | |
| 262 | E | B | -2.4354 | |
| 263 | L | B | 0.0000 | |
| 264 | E | B | -3.5037 | |
| 265 | A | B | -2.0486 | |
| 266 | A | B | -1.8159 | |
| 267 | R | B | -3.3857 | |
| 268 | D | B | -2.4047 | |
| 269 | L | B | 0.0305 | |
| 270 | V | B | -0.9068 | |
| 271 | S | B | -1.7334 | |
| 272 | K | B | -3.1016 | |
| 273 | E | B | -2.4381 | |
| 274 | G | B | 0.0000 | |
| 275 | F | B | -1.6731 | |
| 276 | R | B | -1.7301 | |
| 277 | R | B | 0.0000 | |
| 278 | A | B | 0.0000 | |
| 279 | R | B | -1.2758 | |
| 280 | H | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | G | B | -0.8557 | |
| 284 | E | B | 0.0000 | |
| 285 | I | B | 0.0000 | |
| 286 | R | B | -1.6067 | |
| 287 | R | B | -1.1120 | |
| 288 | T | B | 0.0000 | |
| 289 | A | B | -0.7905 | |
| 290 | Q | B | -1.3783 | |
| 291 | A | B | 0.0000 | |
| 292 | A | B | -0.9914 | |
| 293 | A | B | -1.6950 | |
| 294 | A | B | 0.0000 | |
| 295 | L | B | 0.0000 | |
| 296 | R | B | -3.1714 | |
| 297 | R | B | -3.6555 | |
| 298 | G | B | -2.9234 | |
| 299 | D | B | -2.8287 | |
| 300 | Y | B | 0.0000 | |
| 301 | R | B | -2.8532 | |
| 302 | A | B | -1.8888 | |
| 303 | F | B | 0.0000 | |
| 304 | G | B | 0.0000 | |
| 305 | R | B | -2.2400 | |
| 306 | L | B | 0.0000 | |
| 307 | M | B | 0.0000 | |
| 308 | V | B | -0.7307 | |
| 309 | E | B | -1.5658 | |
| 310 | S | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | R | B | -2.6895 | |
| 313 | S | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | R | B | -2.6140 | |
| 316 | D | B | -2.2314 | |
| 317 | D | B | 0.0000 | |
| 318 | Y | B | -0.6484 | |
| 319 | E | B | -0.8855 | |
| 320 | V | B | -0.0373 | |
| 321 | S | B | 0.0000 | |
| 322 | C | B | -0.6489 | |
| 323 | P | B | -0.7764 | |
| 324 | E | B | -0.9264 | |
| 325 | L | B | 0.0000 | |
| 326 | D | B | -1.6827 | |
| 327 | Q | B | -1.4674 | |
| 328 | L | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | E | B | -1.8798 | |
| 331 | A | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | L | B | 0.2451 | |
| 334 | A | B | -0.0257 | |
| 335 | V | B | -0.3571 | |
| 336 | P | B | -0.2705 | |
| 337 | G | B | -0.3539 | |
| 338 | V | B | 0.0000 | |
| 339 | Y | B | -0.0966 | |
| 340 | G | B | 0.0000 | |
| 341 | S | B | 0.0000 | |
| 342 | R | B | 0.0000 | |
| 343 | M | B | 0.0000 | |
| 344 | T | B | 0.0000 | |
| 345 | G | B | 0.0000 | |
| 346 | G | B | 0.0000 | |
| 347 | G | B | 0.0000 | |
| 348 | F | B | 0.0000 | |
| 349 | G | B | 0.0000 | |
| 350 | G | B | 0.0000 | |
| 351 | C | B | 0.0000 | |
| 352 | T | B | 0.0000 | |
| 353 | V | B | 0.0000 | |
| 354 | T | B | 0.0000 | |
| 355 | L | B | 0.0000 | |
| 356 | P | B | 0.0000 | mutated: LP356B |
| 357 | E | B | -1.1851 | |
| 358 | A | B | -0.5653 | |
| 359 | S | B | -0.2083 | |
| 360 | A | B | -0.0531 | |
| 361 | A | B | 0.0000 | |
| 362 | P | B | -0.7914 | |
| 363 | H | B | -1.6067 | |
| 364 | A | B | 0.0000 | |
| 365 | M | B | 0.0000 | |
| 366 | R | B | -3.4695 | |
| 367 | H | B | -2.8539 | |
| 368 | I | B | 0.0000 | |
| 369 | Q | B | -3.1306 | |
| 370 | E | B | -3.4884 | |
| 371 | H | B | -2.6840 | |
| 372 | Y | B | -0.8505 | |
| 373 | G | B | -1.3108 | |
| 374 | G | B | -1.6308 | |
| 375 | T | B | -0.7833 | |
| 376 | A | B | -0.6809 | |
| 377 | T | B | -0.1109 | |
| 378 | F | B | 0.0000 | |
| 379 | Y | B | 0.0000 | |
| 380 | L | B | -0.2101 | |
| 381 | S | B | -0.8590 | |
| 382 | Q | B | -1.6386 | |
| 383 | A | B | -0.9100 | |
| 384 | A | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | G | B | 0.0000 | |
| 387 | A | B | 0.0000 | |
| 388 | K | B | 0.0498 | |
| 389 | V | B | 0.8133 | |
| 390 | L | B | 0.0000 | |
| 391 | C | B | 1.5708 | |
| 392 | L | B | 1.8989 |
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, -0.6846 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_6 | -0.6846 | View | CSV | PDB |
| model_2 | -0.688 | View | CSV | PDB |
| model_7 | -0.6938 | View | CSV | PDB |
| model_9 | -0.6981 | View | CSV | PDB |
| model_8 | -0.6995 | View | CSV | PDB |
| CABS_average | -0.7151 | View | CSV | PDB |
| model_10 | -0.7155 | View | CSV | PDB |
| model_1 | -0.716 | View | CSV | PDB |
| model_11 | -0.7255 | View | CSV | PDB |
| model_5 | -0.7276 | View | CSV | PDB |
| model_3 | -0.7335 | View | CSV | PDB |
| model_4 | -0.7482 | View | CSV | PDB |
| input | -0.7501 | View | CSV | PDB |
| model_0 | -0.7505 | 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