Project name: 48f65347221f784 [mutate: LP356B, LP356A]
Status: done
Started: 2025-05-11 07:10:44
| 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) | 6.7577 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 (00:14:31)
[INFO] CABS: Running CABS flex simulation (00:14:40)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:25:17)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:25:22)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:25:28)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:25:33)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:25:38)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:25:44)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:25:49)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:25:54)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:26:00)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:26:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:26:11)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:26:17)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:26:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:26:35)
[INFO] Main: Simulation completed successfully. (02:26:41)
|
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
- -3.7971
- Maximal score value
- 1.8989
- Average score
- -0.6383
- Total score value
- -500.4328
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 | 0.9585 | |
| 2 | A | A | 0.2296 | |
| 3 | A | A | 0.0598 | |
| 4 | L | A | 0.3635 | |
| 5 | R | A | -0.6296 | |
| 6 | Q | A | -1.2862 | |
| 7 | P | A | -1.3962 | |
| 8 | Q | A | -1.8328 | |
| 9 | V | A | 0.0000 | |
| 10 | A | A | -0.9271 | |
| 11 | E | A | -2.2387 | |
| 12 | L | A | 0.0000 | |
| 13 | L | A | -1.2988 | |
| 14 | A | A | -1.7274 | |
| 15 | E | A | -2.2490 | |
| 16 | A | A | 0.0000 | |
| 17 | R | A | -2.6468 | |
| 18 | R | A | -2.6731 | |
| 19 | A | A | -1.4015 | |
| 20 | F | A | -0.3958 | |
| 21 | R | A | -1.1995 | |
| 22 | E | A | -2.5128 | |
| 23 | E | A | -1.7093 | |
| 24 | F | A | 0.2726 | |
| 25 | G | A | 0.0000 | |
| 26 | A | A | -0.2440 | |
| 27 | E | A | -1.0765 | |
| 28 | P | A | -0.4829 | |
| 29 | E | A | -0.4259 | |
| 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 | 0.0000 | |
| 47 | Y | A | 0.0550 | |
| 48 | N | A | 0.0000 | |
| 49 | Q | A | -1.0996 | |
| 50 | G | A | 0.0000 | |
| 51 | L | A | -0.3921 | |
| 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 | -0.9656 | |
| 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 | 0.0000 | |
| 69 | K | A | -2.2884 | |
| 70 | D | A | -1.9276 | |
| 71 | G | A | -1.2344 | |
| 72 | L | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | -0.7570 | |
| 77 | T | A | 0.0000 | |
| 78 | T | A | -1.0325 | |
| 79 | S | A | -1.1211 | |
| 80 | E | A | -1.5430 | |
| 81 | G | A | -1.0739 | |
| 82 | A | A | -1.2936 | |
| 83 | D | A | -2.2777 | |
| 84 | E | A | -1.8127 | |
| 85 | P | A | -1.3157 | |
| 86 | Q | A | 0.0000 | |
| 87 | R | A | -2.2377 | |
| 88 | L | A | -1.5036 | |
| 89 | Q | A | -1.9927 | |
| 90 | F | A | 0.0000 | |
| 91 | P | A | -1.1576 | |
| 92 | L | A | 0.0000 | |
| 93 | P | A | -1.3425 | |
| 94 | T | A | -1.0886 | |
| 95 | A | A | -1.1402 | |
| 96 | Q | A | -2.1543 | |
| 97 | R | A | -2.5570 | |
| 98 | S | A | -1.4291 | |
| 99 | L | A | -1.0314 | |
| 100 | E | A | -1.2157 | |
| 101 | P | A | -0.9818 | |
| 102 | G | A | -0.9671 | |
| 103 | T | A | -1.0172 | |
| 104 | P | A | -1.3775 | |
| 105 | R | A | -1.9670 | |
| 106 | W | A | -0.8729 | |
| 107 | A | A | 0.0000 | |
| 108 | N | A | 0.0000 | |
| 109 | Y | A | 0.0000 | |
| 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 | 0.1593 | |
| 116 | Y | A | 0.8076 | |
| 117 | Y | A | 0.5296 | |
| 118 | P | A | 0.0845 | |
| 119 | A | A | -0.1619 | |
| 120 | A | A | -0.0549 | |
| 121 | P | A | -0.2035 | |
| 122 | L | A | -0.3908 | |
| 123 | P | A | -0.7413 | |
| 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 | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | P | A | -0.0571 | |
| 135 | L | A | 0.7361 | |
| 136 | G | A | -0.0893 | |
| 137 | G | A | -0.4330 | |
| 138 | G | A | 0.1327 | |
| 139 | L | A | 0.1614 | |
| 140 | S | A | 0.0000 | |
| 141 | S | A | -0.0493 | |
| 142 | S | A | -0.1613 | |
| 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 | 0.2789 | |
| 151 | T | A | -0.1129 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -0.3509 | |
| 155 | Q | A | -0.2304 | |
| 156 | L | A | -0.0194 | |
| 157 | C | A | 0.0000 | |
| 158 | P | A | -0.5986 | |
| 159 | D | A | -0.7721 | |
| 160 | S | A | -0.6345 | |
| 161 | G | A | 0.0000 | |
| 162 | T | A | -0.1878 | |
| 163 | I | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | A | A | -0.2220 | |
| 166 | R | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | Q | A | -0.6878 | |
| 169 | V | A | -0.0012 | |
| 170 | C | A | 0.0000 | |
| 171 | Q | A | -0.5394 | |
| 172 | Q | A | -0.9829 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | H | A | -1.0832 | |
| 176 | S | A | -0.7721 | |
| 177 | F | A | 0.0000 | |
| 178 | A | A | -0.6928 | |
| 179 | G | A | -0.3486 | |
| 180 | M | A | 0.2117 | |
| 181 | P | A | 0.1877 | |
| 182 | C | A | 0.1936 | |
| 183 | G | A | 0.0000 | |
| 184 | I | A | 0.1973 | |
| 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 | 0.0890 | |
| 192 | M | A | 0.0000 | |
| 193 | G | A | -0.0783 | |
| 194 | Q | A | 0.0000 | |
| 195 | K | A | 0.0000 | |
| 196 | G | A | -0.4569 | |
| 197 | H | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | D | A | -0.6265 | |
| 203 | C | A | -0.5671 | |
| 204 | R | A | -1.1712 | |
| 205 | S | A | -0.7102 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -0.9440 | |
| 208 | T | A | 0.0000 | |
| 209 | S | A | -0.3353 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | S | A | -1.1618 | |
| 215 | D | A | -1.4824 | |
| 216 | P | A | 0.0000 | |
| 217 | K | A | -2.3489 | |
| 218 | L | A | -1.3102 | |
| 219 | A | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | T | A | 0.0000 | |
| 224 | N | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | N | A | -1.4871 | |
| 227 | V | A | 0.0000 | |
| 228 | R | A | -2.6848 | |
| 229 | H | A | -1.8140 | |
| 230 | S | A | -0.9633 | |
| 231 | L | A | -0.4804 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | -0.3706 | |
| 234 | S | A | -0.0716 | |
| 235 | E | A | -0.6246 | |
| 236 | Y | A | 0.0000 | |
| 237 | P | A | -0.5761 | |
| 238 | V | A | -0.4672 | |
| 239 | R | A | 0.0000 | |
| 240 | R | A | -1.7373 | |
| 241 | R | A | -2.3620 | |
| 242 | Q | A | -1.3778 | |
| 243 | C | A | 0.0000 | |
| 244 | E | A | -2.4230 | |
| 245 | E | A | -1.7051 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | R | A | -2.3312 | |
| 249 | A | A | -0.7028 | |
| 250 | L | A | -1.0183 | |
| 251 | G | A | -1.7947 | |
| 252 | K | A | -2.6921 | |
| 253 | E | A | -2.9482 | |
| 254 | S | A | -2.6598 | |
| 255 | L | A | -2.5983 | |
| 256 | R | A | -3.1916 | |
| 257 | E | A | -3.4407 | |
| 258 | V | A | 0.0000 | |
| 259 | Q | A | -3.0442 | |
| 260 | L | A | -2.7517 | |
| 261 | E | A | -3.4366 | |
| 262 | E | A | -3.4565 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | -3.7971 | |
| 265 | A | A | -2.3476 | |
| 266 | A | A | -2.1625 | |
| 267 | R | A | -3.5563 | |
| 268 | D | A | -2.9916 | |
| 269 | L | A | -1.1720 | |
| 270 | V | A | 0.5222 | |
| 271 | S | A | -0.9838 | |
| 272 | K | A | -2.5638 | |
| 273 | E | A | -1.9062 | |
| 274 | G | A | 0.0000 | |
| 275 | F | A | -1.8854 | |
| 276 | R | A | -2.6658 | |
| 277 | R | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | R | A | -2.0464 | |
| 280 | H | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | E | A | 0.0000 | |
| 285 | I | A | -1.3595 | |
| 286 | R | A | -1.8620 | |
| 287 | R | A | -1.5080 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | -0.8648 | |
| 290 | Q | A | -1.5907 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | -0.9012 | |
| 293 | A | A | -1.1991 | |
| 294 | A | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | R | A | -2.2941 | |
| 297 | R | A | -2.3036 | |
| 298 | G | A | -2.5450 | |
| 299 | D | A | -2.6754 | |
| 300 | Y | A | 0.0000 | |
| 301 | R | A | -2.5900 | |
| 302 | A | A | -1.8149 | |
| 303 | F | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | R | A | -2.2535 | |
| 306 | L | A | 0.0000 | |
| 307 | M | A | 0.0000 | |
| 308 | V | A | -0.7511 | |
| 309 | E | A | -2.0015 | |
| 310 | S | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | R | A | -3.2017 | |
| 313 | S | A | -2.5071 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -3.7868 | |
| 316 | D | A | -3.4704 | |
| 317 | D | A | -2.6759 | |
| 318 | Y | A | 0.0000 | |
| 319 | E | A | -2.2697 | |
| 320 | V | A | -1.4195 | |
| 321 | S | A | -1.7203 | |
| 322 | C | A | 0.0000 | |
| 323 | P | A | -1.8094 | |
| 324 | E | A | -2.8650 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | -2.6093 | |
| 327 | Q | A | -2.6846 | |
| 328 | L | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -2.2988 | |
| 331 | A | A | -1.4963 | |
| 332 | A | A | 0.0000 | |
| 333 | L | A | 0.0035 | |
| 334 | A | A | -0.3206 | |
| 335 | V | A | 0.0000 | |
| 336 | P | A | -0.3698 | |
| 337 | G | A | -0.3445 | |
| 338 | V | A | 0.2007 | |
| 339 | Y | A | -0.1485 | |
| 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 | 0.0000 | |
| 346 | G | A | -0.4114 | |
| 347 | G | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | G | A | -1.2312 | |
| 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 | -1.0350 | |
| 358 | A | A | -0.8953 | |
| 359 | S | A | -0.4109 | |
| 360 | A | A | -0.5235 | |
| 361 | A | A | -0.6979 | |
| 362 | P | A | -1.0409 | |
| 363 | H | A | -1.6856 | |
| 364 | A | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | R | A | -3.1708 | |
| 367 | H | A | -2.5173 | |
| 368 | I | A | 0.0000 | |
| 369 | Q | A | -2.3196 | |
| 370 | E | A | -3.0523 | |
| 371 | H | A | -2.3070 | |
| 372 | Y | A | -0.5996 | |
| 373 | G | A | -1.1271 | |
| 374 | G | A | -0.8663 | |
| 375 | T | A | -0.4617 | |
| 376 | A | A | 0.0000 | |
| 377 | T | A | 0.1131 | |
| 378 | F | A | 0.0000 | |
| 379 | Y | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | S | A | 0.0000 | |
| 382 | Q | A | -1.3961 | |
| 383 | A | A | -1.0312 | |
| 384 | A | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | K | A | -0.0688 | |
| 389 | V | A | 0.6270 | |
| 390 | L | A | 0.0000 | |
| 391 | C | A | 0.8148 | |
| 392 | L | A | 1.4870 | |
| 1 | M | B | 0.4920 | |
| 2 | A | B | 0.6218 | |
| 3 | A | B | 0.6315 | |
| 4 | L | B | 0.7878 | |
| 5 | R | B | -1.1392 | |
| 6 | Q | B | -1.1020 | |
| 7 | P | B | 0.0000 | |
| 8 | Q | B | -1.2419 | |
| 9 | V | B | -0.5745 | |
| 10 | A | B | -0.8589 | |
| 11 | E | B | -2.0254 | |
| 12 | L | B | 0.0000 | |
| 13 | L | B | -0.9968 | |
| 14 | A | B | -1.5662 | |
| 15 | E | B | -2.2300 | |
| 16 | A | B | 0.0000 | |
| 17 | R | B | -3.4769 | |
| 18 | R | B | -3.7947 | |
| 19 | A | B | -2.5216 | |
| 20 | F | B | 0.0000 | |
| 21 | R | B | -3.6982 | |
| 22 | E | B | -3.1859 | |
| 23 | E | B | -1.4831 | |
| 24 | F | B | 0.0871 | |
| 25 | G | B | -1.2080 | |
| 26 | A | B | -2.3876 | |
| 27 | E | B | -2.8122 | |
| 28 | P | B | -1.8937 | |
| 29 | E | B | -1.8296 | |
| 30 | L | B | 0.0000 | |
| 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 | 0.1999 | |
| 48 | N | B | 0.0000 | |
| 49 | Q | B | -0.8786 | |
| 50 | G | B | 0.0000 | |
| 51 | L | B | -0.5040 | |
| 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 | -1.9376 | |
| 68 | R | B | -2.6261 | |
| 69 | K | B | -2.3676 | |
| 70 | D | B | -2.5852 | |
| 71 | G | B | -1.3292 | |
| 72 | L | B | -1.1494 | |
| 73 | V | B | 0.0000 | |
| 74 | S | B | -0.7864 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | -0.7025 | |
| 77 | T | B | 0.0000 | |
| 78 | T | B | -1.4272 | |
| 79 | S | B | 0.0000 | |
| 80 | E | B | -2.5349 | |
| 81 | G | B | -1.7026 | |
| 82 | A | B | -1.8877 | |
| 83 | D | B | -2.8961 | |
| 84 | E | B | -2.6216 | |
| 85 | P | B | -1.9045 | |
| 86 | Q | B | -1.8049 | |
| 87 | R | B | -2.2328 | |
| 88 | L | B | 0.0000 | |
| 89 | Q | B | -1.3472 | |
| 90 | F | B | 0.0000 | |
| 91 | P | B | 0.0000 | |
| 92 | L | B | 0.6586 | |
| 93 | P | B | 0.3250 | |
| 94 | T | B | -0.3725 | |
| 95 | A | B | -0.5599 | |
| 96 | Q | B | -1.7842 | |
| 97 | R | B | -2.2729 | |
| 98 | S | B | -1.8312 | |
| 99 | L | B | -1.4030 | |
| 100 | E | B | -1.4763 | |
| 101 | P | B | -0.8268 | |
| 102 | G | B | -0.7668 | |
| 103 | T | B | -0.4889 | |
| 104 | P | B | 0.0000 | |
| 105 | R | B | -0.4625 | |
| 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 | -0.2132 | |
| 112 | G | B | -0.0088 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | Q | B | 0.6804 | |
| 116 | Y | B | 1.7427 | |
| 117 | Y | B | 1.8989 | |
| 118 | P | B | 0.9433 | |
| 119 | A | B | 0.0000 | |
| 120 | A | B | 0.6214 | |
| 121 | P | B | 0.1805 | |
| 122 | L | B | 0.7367 | |
| 123 | P | B | -0.1706 | |
| 124 | G | B | -1.1168 | |
| 125 | F | B | 0.0000 | |
| 126 | S | B | -0.7574 | |
| 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 | -1.0519 | |
| 133 | V | B | -0.8928 | |
| 134 | P | B | 0.0000 | |
| 135 | L | B | 0.1416 | |
| 136 | G | B | 0.0000 | |
| 137 | G | B | 0.0000 | |
| 138 | G | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | S | B | 0.0000 | |
| 141 | S | B | -0.1171 | |
| 142 | S | B | 0.0000 | |
| 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 | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | Q | B | 0.0000 | |
| 155 | Q | B | -0.2541 | |
| 156 | L | B | 0.2512 | |
| 157 | C | B | 0.0000 | |
| 158 | P | B | -0.6209 | |
| 159 | D | B | -0.8078 | |
| 160 | S | B | -0.5178 | |
| 161 | G | B | -0.4662 | |
| 162 | T | B | -0.4804 | |
| 163 | I | B | 0.0000 | |
| 164 | A | B | -0.3495 | |
| 165 | A | B | -0.2873 | |
| 166 | R | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | Q | B | -0.9124 | |
| 169 | V | B | -0.1776 | |
| 170 | C | B | 0.0000 | |
| 171 | Q | B | -0.8674 | |
| 172 | Q | B | -1.4226 | |
| 173 | A | B | 0.0000 | |
| 174 | E | B | 0.0000 | |
| 175 | H | B | -1.1645 | |
| 176 | S | B | -0.8212 | |
| 177 | F | B | -0.4700 | |
| 178 | A | B | -0.4914 | |
| 179 | G | B | -0.5149 | |
| 180 | M | B | 0.0000 | |
| 181 | P | B | 0.0000 | |
| 182 | C | B | -0.2041 | |
| 183 | G | B | 0.0004 | |
| 184 | I | B | 0.1457 | |
| 185 | M | B | 0.0000 | |
| 186 | D | B | 0.0000 | |
| 187 | Q | B | 0.0000 | |
| 188 | F | B | 0.0000 | |
| 189 | I | B | 0.0000 | |
| 190 | S | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | M | B | 0.0700 | |
| 193 | G | B | 0.0000 | |
| 194 | Q | B | 0.0000 | |
| 195 | K | B | -0.3042 | |
| 196 | G | B | 0.0000 | |
| 197 | H | B | 0.0000 | |
| 198 | A | B | 0.0694 | |
| 199 | L | B | 0.0000 | |
| 200 | L | B | 0.0000 | |
| 201 | I | B | 0.0000 | |
| 202 | D | B | -0.4907 | |
| 203 | C | B | -0.5769 | |
| 204 | R | B | -1.6858 | |
| 205 | S | B | -1.3366 | |
| 206 | L | B | 0.0000 | |
| 207 | E | B | 0.0000 | |
| 208 | T | B | 0.0000 | |
| 209 | S | B | -0.1975 | |
| 210 | L | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | P | B | 0.0000 | |
| 213 | L | B | -0.6369 | |
| 214 | S | B | -0.8173 | |
| 215 | D | B | -1.5265 | |
| 216 | P | B | 0.0000 | |
| 217 | K | B | -2.1086 | |
| 218 | L | B | -1.0712 | |
| 219 | A | B | -0.4177 | |
| 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 | -0.4267 | |
| 226 | N | B | -0.3714 | |
| 227 | V | B | 0.2256 | |
| 228 | R | B | 0.0699 | |
| 229 | H | B | 0.0000 | |
| 230 | S | B | 0.5128 | |
| 231 | L | B | 1.4211 | |
| 232 | A | B | 0.0000 | |
| 233 | S | B | 0.0000 | |
| 234 | S | B | 0.2750 | |
| 235 | E | B | -0.0364 | |
| 236 | Y | B | 0.0000 | |
| 237 | P | B | 0.0000 | |
| 238 | V | B | -0.0703 | |
| 239 | R | B | 0.0000 | |
| 240 | R | B | -0.7139 | |
| 241 | R | B | -1.2434 | |
| 242 | Q | B | -1.6228 | |
| 243 | C | B | 0.0000 | |
| 244 | E | B | -1.8941 | |
| 245 | E | B | -2.0357 | |
| 246 | V | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | R | B | -2.9375 | |
| 249 | A | B | -1.2570 | |
| 250 | L | B | -1.2340 | |
| 251 | G | B | -1.9519 | |
| 252 | K | B | -3.0356 | |
| 253 | E | B | -3.4159 | |
| 254 | S | B | -2.3457 | |
| 255 | L | B | 0.0000 | |
| 256 | R | B | -2.7285 | |
| 257 | E | B | -3.3139 | |
| 258 | V | B | 0.0000 | |
| 259 | Q | B | -2.6133 | |
| 260 | L | B | -2.3346 | |
| 261 | E | B | -2.6448 | |
| 262 | E | B | -2.0561 | |
| 263 | L | B | 0.0000 | |
| 264 | E | B | -2.4866 | |
| 265 | A | B | -1.4123 | |
| 266 | A | B | -1.6013 | |
| 267 | R | B | -3.5248 | |
| 268 | D | B | -2.6438 | |
| 269 | L | B | -0.2104 | |
| 270 | V | B | 0.0000 | |
| 271 | S | B | -2.3972 | |
| 272 | K | B | -3.7596 | |
| 273 | E | B | -3.6511 | |
| 274 | G | B | 0.0000 | |
| 275 | F | B | 0.0000 | |
| 276 | R | B | -2.9426 | |
| 277 | R | B | 0.0000 | |
| 278 | A | B | 0.0000 | |
| 279 | R | B | -1.7395 | |
| 280 | H | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | G | B | -1.5376 | |
| 284 | E | B | 0.0000 | |
| 285 | I | B | -1.5739 | |
| 286 | R | B | -2.5415 | |
| 287 | R | B | -1.6247 | |
| 288 | T | B | 0.0000 | |
| 289 | A | B | -1.0456 | |
| 290 | Q | B | -1.3589 | |
| 291 | A | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | A | B | -1.0749 | |
| 294 | A | B | 0.0000 | |
| 295 | L | B | 0.0000 | |
| 296 | R | B | -1.6830 | |
| 297 | R | B | -2.3155 | |
| 298 | G | B | -2.4707 | |
| 299 | D | B | -2.8979 | |
| 300 | Y | B | 0.0000 | |
| 301 | R | B | -2.7358 | |
| 302 | A | B | -1.9952 | |
| 303 | F | B | 0.0000 | |
| 304 | G | B | 0.0000 | |
| 305 | R | B | -2.2253 | |
| 306 | L | B | 0.0000 | |
| 307 | M | B | 0.0000 | |
| 308 | V | B | -0.7941 | |
| 309 | E | B | -1.6460 | |
| 310 | S | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | R | B | -1.9969 | |
| 313 | S | B | -1.7710 | |
| 314 | L | B | 0.0000 | |
| 315 | R | B | -2.4699 | |
| 316 | D | B | -2.3316 | |
| 317 | D | B | -2.1234 | |
| 318 | Y | B | 0.0000 | |
| 319 | E | B | -1.0879 | |
| 320 | V | B | 0.0000 | |
| 321 | S | B | -0.9899 | |
| 322 | C | B | -0.5918 | |
| 323 | P | B | -1.1001 | |
| 324 | E | B | -1.5019 | |
| 325 | L | B | 0.0000 | |
| 326 | D | B | -1.6255 | |
| 327 | Q | B | -1.3730 | |
| 328 | L | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | E | B | -1.2078 | |
| 331 | A | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | L | B | 0.8885 | |
| 334 | A | B | 0.1246 | |
| 335 | V | B | 0.0000 | |
| 336 | P | B | -0.3146 | |
| 337 | G | B | -0.5752 | |
| 338 | V | B | 0.1012 | |
| 339 | Y | B | -0.3056 | |
| 340 | G | B | -0.2766 | |
| 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 | -0.0243 | |
| 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 | -1.5637 | |
| 358 | A | B | -0.5058 | |
| 359 | S | B | -0.1361 | |
| 360 | A | B | 0.0215 | |
| 361 | A | B | 0.0000 | |
| 362 | P | B | -0.6627 | |
| 363 | H | B | -1.2899 | |
| 364 | A | B | 0.0000 | |
| 365 | M | B | -1.1140 | |
| 366 | R | B | -2.9001 | |
| 367 | H | B | -2.2468 | |
| 368 | I | B | 0.0000 | |
| 369 | Q | B | -2.8519 | |
| 370 | E | B | -3.0412 | |
| 371 | H | B | -2.0923 | |
| 372 | Y | B | -0.9786 | |
| 373 | G | B | -1.3926 | |
| 374 | G | B | -1.4465 | |
| 375 | T | B | -0.7193 | |
| 376 | A | B | -0.2102 | |
| 377 | T | B | -0.0593 | |
| 378 | F | B | 0.0000 | |
| 379 | Y | B | 0.0000 | |
| 380 | L | B | 0.2777 | |
| 381 | S | B | 0.0000 | |
| 382 | Q | B | -0.9118 | |
| 383 | A | B | -0.4192 | |
| 384 | A | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | G | B | 0.0000 | |
| 387 | A | B | 0.0000 | |
| 388 | K | B | -0.0957 | |
| 389 | V | B | 0.0000 | |
| 390 | L | B | 0.4828 | |
| 391 | C | B | 0.5931 | |
| 392 | L | B | 1.0616 |
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, -0.6383 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_11 | -0.6383 | View | CSV | PDB |
| model_0 | -0.6858 | View | CSV | PDB |
| model_1 | -0.6921 | View | CSV | PDB |
| model_8 | -0.7112 | View | CSV | PDB |
| model_4 | -0.7206 | View | CSV | PDB |
| CABS_average | -0.7215 | View | CSV | PDB |
| input | -0.7236 | View | CSV | PDB |
| model_7 | -0.7285 | View | CSV | PDB |
| model_3 | -0.7312 | View | CSV | PDB |
| model_10 | -0.7329 | View | CSV | PDB |
| model_2 | -0.7415 | View | CSV | PDB |
| model_5 | -0.7517 | View | CSV | PDB |
| model_6 | -0.7622 | View | CSV | PDB |
| model_9 | -0.7624 | 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