Project name: 48f65347221f784 [mutate: LP139A, LP139B]
Status: done
Started: 2025-05-11 07:09:51
| 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 | LP139A,LP139B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 5.36103 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:14:25)
[INFO] CABS: Running CABS flex simulation (00:14:36)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:25:42)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:25:47)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:25:53)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:25:58)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:26:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:26:09)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:26:15)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:26:20)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:26:26)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:26:32)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:26:37)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:26:43)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:26:49)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:27:03)
[INFO] Main: Simulation completed successfully. (02:27:08)
|
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
- -4.1927
- Maximal score value
- 1.7728
- Average score
- -0.6827
- Total score value
- -535.2528
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 | 0.7585 | |
| 2 | A | A | 0.2347 | |
| 3 | A | A | 0.0734 | |
| 4 | L | A | 0.4252 | |
| 5 | R | A | -0.3842 | |
| 6 | Q | A | -1.0297 | |
| 7 | P | A | 0.0000 | |
| 8 | Q | A | -1.2744 | |
| 9 | V | A | 0.0000 | |
| 10 | A | A | -0.7382 | |
| 11 | E | A | -2.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | A | A | -1.5443 | |
| 15 | E | A | -1.8868 | |
| 16 | A | A | 0.0000 | |
| 17 | R | A | -2.7179 | |
| 18 | R | A | -3.0679 | |
| 19 | A | A | -1.8100 | |
| 20 | F | A | -1.7623 | |
| 21 | R | A | -3.6020 | |
| 22 | E | A | -3.2307 | |
| 23 | E | A | -2.5331 | |
| 24 | F | A | -1.8868 | |
| 25 | G | A | -0.9858 | |
| 26 | A | A | -1.1997 | |
| 27 | E | A | -1.5722 | |
| 28 | P | A | -0.6419 | |
| 29 | E | A | 0.0000 | |
| 30 | L | A | 0.5924 | |
| 31 | A | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | S | A | -0.2075 | |
| 34 | A | A | 0.0000 | |
| 35 | P | A | -0.2340 | |
| 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 | 0.0000 | |
| 48 | N | A | 0.0000 | |
| 49 | Q | A | -1.6372 | |
| 50 | G | A | 0.0000 | |
| 51 | L | A | -0.5186 | |
| 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 | -0.7097 | |
| 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 | -2.8762 | |
| 69 | K | A | -3.0256 | |
| 70 | D | A | -1.9029 | |
| 71 | G | A | -1.1632 | |
| 72 | L | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | S | A | -1.2727 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | -0.3792 | |
| 77 | T | A | 0.0000 | |
| 78 | T | A | -1.1790 | |
| 79 | S | A | -1.2769 | |
| 80 | E | A | -1.5671 | |
| 81 | G | A | -1.4429 | |
| 82 | A | A | -1.5339 | |
| 83 | D | A | -2.6254 | |
| 84 | E | A | -2.3866 | |
| 85 | P | A | -1.6262 | |
| 86 | Q | A | -1.7339 | |
| 87 | R | A | -2.5459 | |
| 88 | L | A | 0.0000 | |
| 89 | Q | A | -2.0108 | |
| 90 | F | A | 0.0000 | |
| 91 | P | A | -1.4262 | |
| 92 | L | A | -1.1081 | |
| 93 | P | A | -0.9869 | |
| 94 | T | A | -1.0114 | |
| 95 | A | A | -1.0673 | |
| 96 | Q | A | -1.8867 | |
| 97 | R | A | -2.1445 | |
| 98 | S | A | -1.6736 | |
| 99 | L | A | -1.6204 | |
| 100 | E | A | -2.5735 | |
| 101 | P | A | -1.9490 | |
| 102 | G | A | -1.5842 | |
| 103 | T | A | -1.2492 | |
| 104 | P | A | -0.6444 | |
| 105 | R | A | -0.4288 | |
| 106 | W | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | N | A | -0.7279 | |
| 109 | Y | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | K | A | -0.3800 | |
| 112 | G | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | Q | A | -0.3842 | |
| 116 | Y | A | -0.0897 | |
| 117 | Y | A | -0.1325 | |
| 118 | P | A | -0.1042 | |
| 119 | A | A | 0.1031 | |
| 120 | A | A | 0.2778 | |
| 121 | P | A | 0.5375 | |
| 122 | L | A | 0.7748 | |
| 123 | P | A | -0.4296 | |
| 124 | G | A | -1.2132 | |
| 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 | -0.5323 | |
| 135 | L | A | 0.0594 | |
| 136 | G | A | -0.1565 | |
| 137 | G | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | P | A | 0.0000 | mutated: LP139A |
| 140 | S | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 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 | 0.0000 | |
| 155 | Q | A | 0.0043 | |
| 156 | L | A | 0.4917 | |
| 157 | C | A | 0.2448 | |
| 158 | P | A | -0.1959 | |
| 159 | D | A | 0.0000 | |
| 160 | S | A | -0.4065 | |
| 161 | G | A | 0.0000 | |
| 162 | T | A | -0.3715 | |
| 163 | I | A | 0.0000 | |
| 164 | A | A | -0.5643 | |
| 165 | A | A | -0.7758 | |
| 166 | R | A | -0.9260 | |
| 167 | A | A | 0.0000 | |
| 168 | Q | A | -1.4024 | |
| 169 | V | A | -0.9350 | |
| 170 | C | A | 0.0000 | |
| 171 | Q | A | -1.0762 | |
| 172 | Q | A | -1.4439 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | H | A | -1.1472 | |
| 176 | S | A | -0.6639 | |
| 177 | F | A | -0.3740 | |
| 178 | A | A | -0.1638 | |
| 179 | G | A | 0.0000 | |
| 180 | M | A | 0.2018 | |
| 181 | P | A | 0.0000 | |
| 182 | C | A | 0.0031 | |
| 183 | G | A | 0.0000 | |
| 184 | I | A | 0.0611 | |
| 185 | M | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | Q | A | 0.0000 | |
| 188 | F | A | -0.0360 | |
| 189 | I | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | G | A | -0.2740 | |
| 194 | Q | A | 0.0000 | |
| 195 | K | A | -0.4351 | |
| 196 | G | A | 0.0000 | |
| 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 | -0.7900 | |
| 203 | C | A | -0.5100 | |
| 204 | R | A | -1.0635 | |
| 205 | S | A | -0.8188 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -0.7587 | |
| 208 | T | A | 0.0000 | |
| 209 | S | A | -0.2399 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | S | A | -1.7074 | |
| 215 | D | A | -3.0944 | |
| 216 | P | A | 0.0000 | |
| 217 | K | A | -2.3040 | |
| 218 | L | A | 0.0000 | |
| 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 | 0.2732 | |
| 227 | V | A | 1.3431 | |
| 228 | R | A | 0.0000 | |
| 229 | H | A | 0.0457 | |
| 230 | S | A | 0.6601 | |
| 231 | L | A | 1.1232 | |
| 232 | A | A | 0.5419 | |
| 233 | S | A | 0.0000 | |
| 234 | S | A | 0.2438 | |
| 235 | E | A | -0.4867 | |
| 236 | Y | A | 0.0000 | |
| 237 | P | A | -0.4497 | |
| 238 | V | A | -0.1699 | |
| 239 | R | A | 0.0000 | |
| 240 | R | A | -2.0561 | |
| 241 | R | A | -2.6726 | |
| 242 | Q | A | -2.1735 | |
| 243 | C | A | 0.0000 | |
| 244 | E | A | -3.1838 | |
| 245 | E | A | -2.6506 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | R | A | -2.9847 | |
| 249 | A | A | -1.2121 | |
| 250 | L | A | -1.1690 | |
| 251 | G | A | -1.6862 | |
| 252 | K | A | 0.0000 | |
| 253 | E | A | -3.2011 | |
| 254 | S | A | -2.6992 | |
| 255 | L | A | 0.0000 | |
| 256 | R | A | -3.1464 | |
| 257 | E | A | -3.0462 | |
| 258 | V | A | 0.0000 | |
| 259 | Q | A | -3.6526 | |
| 260 | L | A | -3.2326 | |
| 261 | E | A | -3.9388 | |
| 262 | E | A | -3.7404 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | -3.9550 | |
| 265 | A | A | -2.3638 | |
| 266 | A | A | -1.8786 | |
| 267 | R | A | -3.5185 | |
| 268 | D | A | -2.5200 | |
| 269 | L | A | -0.5028 | |
| 270 | V | A | 0.0000 | |
| 271 | S | A | -2.0726 | |
| 272 | K | A | -3.5573 | |
| 273 | E | A | -2.9734 | |
| 274 | G | A | 0.0000 | |
| 275 | F | A | -2.3587 | |
| 276 | R | A | -2.3033 | |
| 277 | R | A | -1.7625 | |
| 278 | A | A | 0.0000 | |
| 279 | R | A | -2.0694 | |
| 280 | H | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | G | A | -1.6248 | |
| 284 | E | A | 0.0000 | |
| 285 | I | A | -1.4367 | |
| 286 | R | A | -2.2632 | |
| 287 | R | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | -0.9535 | |
| 290 | Q | A | -1.4070 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | -1.1661 | |
| 294 | A | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | R | A | -2.4337 | |
| 297 | R | A | -3.2889 | |
| 298 | G | A | -2.8089 | |
| 299 | D | A | -3.0824 | |
| 300 | Y | A | 0.0000 | |
| 301 | R | A | -2.6905 | |
| 302 | A | A | -2.0938 | |
| 303 | F | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | R | A | -2.5918 | |
| 306 | L | A | 0.0000 | |
| 307 | M | A | 0.0000 | |
| 308 | V | A | -1.0140 | |
| 309 | E | A | -2.5035 | |
| 310 | S | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | R | A | -2.7595 | |
| 313 | S | A | -2.1699 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -1.8211 | |
| 316 | D | A | -2.2907 | |
| 317 | D | A | 0.0000 | |
| 318 | Y | A | 0.0000 | |
| 319 | E | A | -1.1710 | |
| 320 | V | A | 0.5434 | |
| 321 | S | A | -0.6792 | |
| 322 | C | A | -0.4528 | |
| 323 | P | A | -1.0266 | |
| 324 | E | A | -1.9854 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | -2.0706 | |
| 327 | Q | A | -2.4842 | |
| 328 | L | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -2.0488 | |
| 331 | A | A | -1.1492 | |
| 332 | A | A | 0.0000 | |
| 333 | L | A | 0.3012 | |
| 334 | A | A | 0.0320 | |
| 335 | V | A | 0.0000 | |
| 336 | P | A | -0.2986 | |
| 337 | G | A | -0.1336 | |
| 338 | V | A | 0.1814 | |
| 339 | Y | A | -0.1920 | |
| 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 | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | G | A | 0.2873 | |
| 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 | L | A | 0.0000 | |
| 357 | E | A | -0.8366 | |
| 358 | A | A | -0.6192 | |
| 359 | S | A | -0.4301 | |
| 360 | A | A | -0.1406 | |
| 361 | A | A | -0.6511 | |
| 362 | P | A | -0.9726 | |
| 363 | H | A | -1.8618 | |
| 364 | A | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | R | A | -3.0237 | |
| 367 | H | A | -2.5578 | |
| 368 | I | A | 0.0000 | |
| 369 | Q | A | -2.5536 | |
| 370 | E | A | -2.9903 | |
| 371 | H | A | -2.2448 | |
| 372 | Y | A | -1.7959 | |
| 373 | G | A | -1.4315 | |
| 374 | G | A | -1.1837 | |
| 375 | T | A | -0.7150 | |
| 376 | A | A | -0.8106 | |
| 377 | T | A | 0.0000 | |
| 378 | F | A | 0.0000 | |
| 379 | Y | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | S | A | -0.3608 | |
| 382 | Q | A | -0.3926 | |
| 383 | A | A | -0.4591 | |
| 384 | A | A | 0.0000 | |
| 385 | D | A | -0.7879 | |
| 386 | G | A | -0.5994 | |
| 387 | A | A | -0.1622 | |
| 388 | K | A | -0.2959 | |
| 389 | V | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | C | A | 1.1913 | |
| 392 | L | A | 1.6631 | |
| 1 | M | B | 0.9181 | |
| 2 | A | B | 0.4389 | |
| 3 | A | B | 0.6210 | |
| 4 | L | B | 0.4690 | |
| 5 | R | B | -1.3937 | |
| 6 | Q | B | -1.4301 | |
| 7 | P | B | -1.5801 | |
| 8 | Q | B | -1.9261 | |
| 9 | V | B | -0.9420 | |
| 10 | A | B | -1.0750 | |
| 11 | E | B | -2.1433 | |
| 12 | L | B | 0.0000 | |
| 13 | L | B | -1.1813 | |
| 14 | A | B | -1.5985 | |
| 15 | E | B | -2.0779 | |
| 16 | A | B | 0.0000 | |
| 17 | R | B | -2.8130 | |
| 18 | R | B | -3.7273 | |
| 19 | A | B | -3.0275 | |
| 20 | F | B | 0.0000 | |
| 21 | R | B | -4.1927 | |
| 22 | E | B | -4.0348 | |
| 23 | E | B | -3.0887 | |
| 24 | F | B | -1.6188 | |
| 25 | G | B | -1.7134 | |
| 26 | A | B | -1.9133 | |
| 27 | E | B | -1.3888 | |
| 28 | P | B | -0.5511 | |
| 29 | E | B | 0.0000 | |
| 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 | 0.0304 | |
| 48 | N | B | -1.2282 | |
| 49 | Q | B | 0.0000 | |
| 50 | G | B | -0.4753 | |
| 51 | L | B | -0.1809 | |
| 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 | -1.0227 | |
| 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 | -1.6532 | |
| 68 | R | B | -3.3731 | |
| 69 | K | B | -3.3785 | |
| 70 | D | B | -2.9724 | |
| 71 | G | B | -1.7644 | |
| 72 | L | B | -0.8309 | |
| 73 | V | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | -0.5890 | |
| 77 | T | B | 0.0000 | |
| 78 | T | B | -0.7338 | |
| 79 | S | B | -0.8491 | |
| 80 | E | B | -1.2002 | |
| 81 | G | B | -1.2261 | |
| 82 | A | B | -1.2744 | |
| 83 | D | B | -2.2273 | |
| 84 | E | B | -1.6046 | |
| 85 | P | B | -1.2121 | |
| 86 | Q | B | -1.1503 | |
| 87 | R | B | -1.6084 | |
| 88 | L | B | 0.0000 | |
| 89 | Q | B | -0.7686 | |
| 90 | F | B | 0.0000 | |
| 91 | P | B | -0.8296 | |
| 92 | L | B | 0.0000 | |
| 93 | P | B | -1.2612 | |
| 94 | T | B | -0.9596 | |
| 95 | A | B | -0.9668 | |
| 96 | Q | B | -1.7308 | |
| 97 | R | B | -1.6426 | |
| 98 | S | B | -0.7624 | |
| 99 | L | B | 0.0064 | |
| 100 | E | B | -1.4512 | |
| 101 | P | B | -1.0592 | |
| 102 | G | B | -1.0776 | |
| 103 | T | B | -1.0605 | |
| 104 | P | B | -0.8894 | |
| 105 | R | B | -1.2609 | |
| 106 | W | B | -0.5507 | |
| 107 | A | B | 0.0000 | |
| 108 | N | B | -0.5728 | |
| 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 | 0.2615 | |
| 116 | Y | B | 1.4035 | |
| 117 | Y | B | 1.3134 | |
| 118 | P | B | 0.3367 | |
| 119 | A | B | 0.0000 | |
| 120 | A | B | -0.1659 | |
| 121 | P | B | 0.2484 | |
| 122 | L | B | 0.0617 | |
| 123 | P | B | -0.8932 | |
| 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 | -0.0839 | |
| 134 | P | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | G | B | -0.4892 | |
| 137 | G | B | 0.0000 | |
| 138 | G | B | 0.0000 | |
| 139 | P | B | 0.0000 | mutated: LP139B |
| 140 | S | B | 0.0000 | |
| 141 | S | B | 0.0000 | |
| 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 | 0.4256 | |
| 154 | Q | B | 0.0000 | |
| 155 | Q | B | 0.0000 | |
| 156 | L | B | 1.1382 | |
| 157 | C | B | 0.8349 | |
| 158 | P | B | 0.1310 | |
| 159 | D | B | -0.4885 | |
| 160 | S | B | -0.5848 | |
| 161 | G | B | 0.0000 | |
| 162 | T | B | -0.3226 | |
| 163 | I | B | 0.0000 | |
| 164 | A | B | 0.0000 | |
| 165 | A | B | -0.5900 | |
| 166 | R | B | -0.6578 | |
| 167 | A | B | 0.0000 | |
| 168 | Q | B | -1.0168 | |
| 169 | V | B | -0.1991 | |
| 170 | C | B | 0.0000 | |
| 171 | Q | B | -0.8448 | |
| 172 | Q | B | -0.8747 | |
| 173 | A | B | 0.0000 | |
| 174 | E | B | 0.0000 | |
| 175 | H | B | -0.7131 | |
| 176 | S | B | -0.2721 | |
| 177 | F | B | -0.1018 | |
| 178 | A | B | -0.1959 | |
| 179 | G | B | 0.0000 | |
| 180 | M | B | 0.0000 | |
| 181 | P | B | 0.0000 | |
| 182 | C | B | 0.0000 | |
| 183 | G | B | 0.0000 | |
| 184 | I | B | 0.0000 | |
| 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 | 0.0000 | |
| 193 | G | B | -0.1136 | |
| 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 | 0.1816 | |
| 201 | I | B | 0.0000 | |
| 202 | D | B | -0.6642 | |
| 203 | C | B | -0.9000 | |
| 204 | R | B | -2.4303 | |
| 205 | S | B | -1.7229 | |
| 206 | L | B | 0.0000 | |
| 207 | E | B | 0.0000 | |
| 208 | T | B | 0.0000 | |
| 209 | S | B | -0.0776 | |
| 210 | L | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | P | B | 0.0000 | |
| 213 | L | B | 0.0000 | |
| 214 | S | B | -1.0136 | |
| 215 | D | B | -1.0948 | |
| 216 | P | B | -1.5328 | |
| 217 | K | B | -2.4151 | |
| 218 | L | B | 0.0000 | |
| 219 | A | B | -1.0263 | |
| 220 | V | B | 0.0000 | |
| 221 | L | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | T | B | 0.0000 | |
| 224 | N | B | -0.5803 | |
| 225 | S | B | 0.0000 | |
| 226 | N | B | -1.5910 | |
| 227 | V | B | -0.8363 | |
| 228 | R | B | -1.2170 | |
| 229 | H | B | 0.0000 | |
| 230 | S | B | -0.1743 | |
| 231 | L | B | 0.6006 | |
| 232 | A | B | 0.0000 | |
| 233 | S | B | 0.0000 | |
| 234 | S | B | 0.2598 | |
| 235 | E | B | -0.1891 | |
| 236 | Y | B | 0.0000 | |
| 237 | P | B | 0.0500 | |
| 238 | V | B | 0.5329 | |
| 239 | R | B | 0.0000 | |
| 240 | R | B | -1.1422 | |
| 241 | R | B | -2.0670 | |
| 242 | Q | B | -2.0592 | |
| 243 | C | B | 0.0000 | |
| 244 | E | B | -3.1093 | |
| 245 | E | B | -3.4034 | |
| 246 | V | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | R | B | -3.6750 | |
| 249 | A | B | -1.6450 | |
| 250 | L | B | -1.5528 | |
| 251 | G | B | -2.4621 | |
| 252 | K | B | -2.9386 | |
| 253 | E | B | -3.5435 | |
| 254 | S | B | -2.5944 | |
| 255 | L | B | 0.0000 | |
| 256 | R | B | -2.9355 | |
| 257 | E | B | -2.7364 | |
| 258 | V | B | 0.0000 | |
| 259 | Q | B | -2.5433 | |
| 260 | L | B | -2.2042 | |
| 261 | E | B | -2.8234 | |
| 262 | E | B | -2.1496 | |
| 263 | L | B | 0.0000 | |
| 264 | E | B | -2.5636 | |
| 265 | A | B | -1.6550 | |
| 266 | A | B | -1.4367 | |
| 267 | R | B | -3.0496 | |
| 268 | D | B | -2.3317 | |
| 269 | L | B | -0.1392 | |
| 270 | V | B | 0.0000 | |
| 271 | S | B | -2.4628 | |
| 272 | K | B | -3.7943 | |
| 273 | E | B | -3.1930 | |
| 274 | G | B | -2.4933 | |
| 275 | F | B | -3.0441 | |
| 276 | R | B | -3.8176 | |
| 277 | R | B | 0.0000 | |
| 278 | A | B | 0.0000 | |
| 279 | R | B | -2.6745 | |
| 280 | H | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | G | B | 0.0000 | |
| 284 | E | B | 0.0000 | |
| 285 | I | B | 0.0000 | |
| 286 | R | B | -2.0934 | |
| 287 | R | B | -1.1750 | |
| 288 | T | B | 0.0000 | |
| 289 | A | B | -0.7831 | |
| 290 | Q | B | -1.1449 | |
| 291 | A | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | A | B | -1.2710 | |
| 294 | A | B | 0.0000 | |
| 295 | L | B | 0.0000 | |
| 296 | R | B | -2.3275 | |
| 297 | R | B | -2.6732 | |
| 298 | G | B | -2.1396 | |
| 299 | D | B | -2.2578 | |
| 300 | Y | B | -2.0403 | |
| 301 | R | B | -2.8135 | |
| 302 | A | B | -2.1143 | |
| 303 | F | B | 0.0000 | |
| 304 | G | B | 0.0000 | |
| 305 | R | B | -2.5213 | |
| 306 | L | B | 0.0000 | |
| 307 | M | B | 0.0000 | |
| 308 | V | B | -1.1799 | |
| 309 | E | B | -1.3244 | |
| 310 | S | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | R | B | -3.4069 | |
| 313 | S | B | -2.6001 | |
| 314 | L | B | 0.0000 | |
| 315 | R | B | -3.8775 | |
| 316 | D | B | -4.1371 | |
| 317 | D | B | -3.5480 | |
| 318 | Y | B | 0.0000 | |
| 319 | E | B | -2.6687 | |
| 320 | V | B | -0.9513 | |
| 321 | S | B | -1.6107 | |
| 322 | C | B | 0.0000 | |
| 323 | P | B | -0.9020 | |
| 324 | E | B | -0.8426 | |
| 325 | L | B | 0.0000 | |
| 326 | D | B | -1.8004 | |
| 327 | Q | B | -1.1753 | |
| 328 | L | B | 0.0000 | |
| 329 | V | B | 0.0000 | |
| 330 | E | B | -1.9946 | |
| 331 | A | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | L | B | -0.1696 | |
| 334 | A | B | -0.0767 | |
| 335 | V | B | 0.6345 | |
| 336 | P | B | -0.3969 | |
| 337 | G | B | -1.1119 | |
| 338 | V | B | -0.5175 | |
| 339 | Y | B | 0.0000 | |
| 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 | L | B | -1.1760 | |
| 357 | E | B | -2.4703 | |
| 358 | A | B | -1.2330 | |
| 359 | S | B | -0.3604 | |
| 360 | A | B | -0.1759 | |
| 361 | A | B | 0.0000 | |
| 362 | P | B | -0.8694 | |
| 363 | H | B | -1.4732 | |
| 364 | A | B | 0.0000 | |
| 365 | M | B | -1.7783 | |
| 366 | R | B | -3.2685 | |
| 367 | H | B | -2.6581 | |
| 368 | I | B | 0.0000 | |
| 369 | Q | B | -2.9549 | |
| 370 | E | B | -3.1500 | |
| 371 | H | B | -1.9141 | |
| 372 | Y | B | -0.3660 | |
| 373 | G | B | -1.4188 | |
| 374 | G | B | -1.6482 | |
| 375 | T | B | -0.8468 | |
| 376 | A | B | -1.1444 | |
| 377 | T | B | -0.4450 | |
| 378 | F | B | 0.0000 | |
| 379 | Y | B | 0.0000 | |
| 380 | L | B | -0.1042 | |
| 381 | S | B | 0.0000 | |
| 382 | Q | B | -1.0906 | |
| 383 | A | B | 0.0000 | |
| 384 | A | B | -0.4200 | |
| 385 | D | B | 0.0000 | |
| 386 | G | B | 0.0000 | |
| 387 | A | B | -0.1266 | |
| 388 | K | B | -0.1449 | |
| 389 | V | B | 0.0000 | |
| 390 | L | B | 0.6289 | |
| 391 | C | B | 1.2503 | |
| 392 | L | B | 1.7728 |
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, -0.6827 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_3 | -0.6827 | View | CSV | PDB |
| model_4 | -0.6839 | View | CSV | PDB |
| model_6 | -0.6922 | View | CSV | PDB |
| model_9 | -0.6983 | View | CSV | PDB |
| model_10 | -0.7074 | View | CSV | PDB |
| model_2 | -0.7088 | View | CSV | PDB |
| CABS_average | -0.7136 | View | CSV | PDB |
| model_5 | -0.7159 | View | CSV | PDB |
| model_1 | -0.7206 | View | CSV | PDB |
| input | -0.7247 | View | CSV | PDB |
| model_7 | -0.731 | View | CSV | PDB |
| model_11 | -0.7336 | View | CSV | PDB |
| model_0 | -0.7421 | View | CSV | PDB |
| model_8 | -0.7466 | 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