| Chain sequence(s) |
A: MENMFRLMDQDQDLTNNRCIWVNGPVIVGAGPSGLATAACLHEQNVPFVVLERADCIASLWQKRTYDRLKLHLPKQFCQLPKMPFPEDFPEYPTKRQFIDYLESYATRFEINPKFNECVQTARFDETSGLWRVKTVSKSESTQTEVEYICRWLVVATGENAERVMPEIDGLSEFSGEVIHACDYKSGEKFAGKKVLVVGCGNSGMEVSLDLANHFAKPSMVVRSSLHVMPREVMGKSTFELAMKMLRWFPLWLVDKILLVLSWMVLGNIEKYGLKRPEMGPMELKSVKGKTPVLDIGAIEKIRLGKINVVPGIKRFNGNKVELVNGEQLDVDSVVLATGYRSNVPYWLQENEFFAKNGFPKTVADNNGWKGRTGLYAVGFTRKGLSGASMDAVKIAQDIGSVWQLETKQPTKRSRGSLRRCISQQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FQ249A,VQ260A,WR252A,VR265A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.51978 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:05:10)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:35)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:15)
[INFO] Main: Simulation completed successfully. (00:11:19)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.3184 | |
| 2 | E | A | -1.4613 | |
| 3 | N | A | -1.0394 | |
| 4 | M | A | 1.0675 | |
| 5 | F | A | 1.3847 | |
| 6 | R | A | -0.7361 | |
| 7 | L | A | 0.7807 | |
| 8 | M | A | 0.1686 | |
| 9 | D | A | -2.4879 | |
| 10 | Q | A | -3.1656 | |
| 11 | D | A | -3.1791 | |
| 12 | Q | A | -3.0260 | |
| 13 | D | A | -2.7188 | |
| 14 | L | A | -0.6783 | |
| 15 | T | A | -1.6571 | |
| 16 | N | A | -2.5084 | |
| 17 | N | A | -2.8143 | |
| 18 | R | A | -2.4856 | |
| 19 | C | A | -0.5452 | |
| 20 | I | A | 0.8646 | |
| 21 | W | A | 1.1953 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -0.9487 | |
| 24 | G | A | 0.0000 | |
| 25 | P | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | G | A | -0.3862 | |
| 30 | A | A | 0.0000 | |
| 31 | G | A | -0.0131 | |
| 32 | P | A | -0.0316 | |
| 33 | S | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | T | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | C | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | H | A | -2.1943 | |
| 43 | E | A | -2.9436 | |
| 44 | Q | A | -2.6900 | |
| 45 | N | A | -2.4121 | |
| 46 | V | A | 0.0000 | |
| 47 | P | A | -0.7262 | |
| 48 | F | A | -0.1929 | |
| 49 | V | A | -0.0840 | |
| 50 | V | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | R | A | -2.4569 | |
| 54 | A | A | -1.9091 | |
| 55 | D | A | -2.1553 | |
| 56 | C | A | -1.4061 | |
| 57 | I | A | -0.7528 | |
| 58 | A | A | 0.0000 | |
| 59 | S | A | -1.1507 | |
| 60 | L | A | -0.6908 | |
| 61 | W | A | -0.8430 | |
| 62 | Q | A | -1.7263 | |
| 63 | K | A | -2.2379 | |
| 64 | R | A | -1.9262 | |
| 65 | T | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | D | A | -2.3907 | |
| 68 | R | A | -2.0156 | |
| 69 | L | A | 0.0000 | |
| 70 | K | A | -1.7098 | |
| 71 | L | A | 0.0000 | |
| 72 | H | A | -0.4599 | |
| 73 | L | A | -0.3536 | |
| 74 | P | A | 0.0000 | |
| 75 | K | A | -1.3245 | |
| 76 | Q | A | -1.1923 | |
| 77 | F | A | -0.4222 | |
| 78 | C | A | 0.0000 | |
| 79 | Q | A | -0.8813 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -0.6657 | |
| 82 | K | A | -1.9167 | |
| 83 | M | A | -1.1819 | |
| 84 | P | A | -1.1712 | |
| 85 | F | A | 0.0000 | |
| 86 | P | A | -1.6174 | |
| 87 | E | A | -2.9427 | |
| 88 | D | A | -2.8236 | |
| 89 | F | A | -1.7762 | |
| 90 | P | A | -1.6359 | |
| 91 | E | A | -2.4375 | |
| 92 | Y | A | -1.1354 | |
| 93 | P | A | 0.0000 | |
| 94 | T | A | -1.7113 | |
| 95 | K | A | 0.0000 | |
| 96 | R | A | -2.7354 | |
| 97 | Q | A | -1.9664 | |
| 98 | F | A | 0.0000 | |
| 99 | I | A | -1.9087 | |
| 100 | D | A | -2.8943 | |
| 101 | Y | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | E | A | -2.6622 | |
| 104 | S | A | -2.1326 | |
| 105 | Y | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | T | A | -2.3060 | |
| 108 | R | A | -2.6987 | |
| 109 | F | A | 0.0000 | |
| 110 | E | A | -2.8065 | |
| 111 | I | A | 0.0000 | |
| 112 | N | A | -1.7356 | |
| 113 | P | A | -1.3064 | |
| 114 | K | A | -1.2639 | |
| 115 | F | A | -1.2254 | |
| 116 | N | A | -2.1483 | |
| 117 | E | A | 0.0000 | |
| 118 | C | A | -1.4544 | |
| 119 | V | A | -0.9973 | |
| 120 | Q | A | -1.1824 | |
| 121 | T | A | -1.1799 | |
| 122 | A | A | 0.0000 | |
| 123 | R | A | -1.7575 | |
| 124 | F | A | -1.3460 | |
| 125 | D | A | -1.5765 | |
| 126 | E | A | -2.1958 | |
| 127 | T | A | -1.1509 | |
| 128 | S | A | -1.0015 | |
| 129 | G | A | -1.1796 | |
| 130 | L | A | -0.8663 | |
| 131 | W | A | 0.0000 | |
| 132 | R | A | -0.8514 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -1.9879 | |
| 135 | T | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | S | A | -1.8570 | |
| 138 | K | A | -3.1691 | |
| 139 | S | A | -2.4280 | |
| 140 | E | A | -2.6235 | |
| 141 | S | A | -1.7257 | |
| 142 | T | A | -1.9566 | |
| 143 | Q | A | -2.5954 | |
| 144 | T | A | -2.3334 | |
| 145 | E | A | -2.7745 | |
| 146 | V | A | 0.0000 | |
| 147 | E | A | -1.2789 | |
| 148 | Y | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | R | A | -0.7969 | |
| 152 | W | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | T | A | -0.5545 | |
| 158 | G | A | -0.8206 | |
| 159 | E | A | -1.3120 | |
| 160 | N | A | -1.3067 | |
| 161 | A | A | -1.0286 | |
| 162 | E | A | -1.3451 | |
| 163 | R | A | -1.3094 | |
| 164 | V | A | -0.3461 | |
| 165 | M | A | 0.0992 | |
| 166 | P | A | -0.7836 | |
| 167 | E | A | -1.9790 | |
| 168 | I | A | -1.9531 | |
| 169 | D | A | -3.1690 | |
| 170 | G | A | -2.5833 | |
| 171 | L | A | -1.8188 | |
| 172 | S | A | -1.6531 | |
| 173 | E | A | -2.6276 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | -1.6549 | |
| 176 | G | A | -1.5575 | |
| 177 | E | A | -1.5124 | |
| 178 | V | A | -0.3638 | |
| 179 | I | A | -0.1123 | |
| 180 | H | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | C | A | 0.0000 | |
| 183 | D | A | -1.6009 | |
| 184 | Y | A | 0.0000 | |
| 185 | K | A | -2.4161 | |
| 186 | S | A | -2.1402 | |
| 187 | G | A | 0.0000 | |
| 188 | E | A | -2.6993 | |
| 189 | K | A | -2.8327 | |
| 190 | F | A | 0.0000 | |
| 191 | A | A | -1.2374 | |
| 192 | G | A | -1.0998 | |
| 193 | K | A | -1.7931 | |
| 194 | K | A | -2.2449 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | V | A | -0.1418 | |
| 199 | G | A | -0.4814 | |
| 200 | C | A | -0.4152 | |
| 201 | G | A | -0.6025 | |
| 202 | N | A | -0.4211 | |
| 203 | S | A | -0.2741 | |
| 204 | G | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | E | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | D | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | A | A | -1.2436 | |
| 213 | N | A | -1.2845 | |
| 214 | H | A | -0.8964 | |
| 215 | F | A | 0.3261 | |
| 216 | A | A | 0.0000 | |
| 217 | K | A | -2.5890 | |
| 218 | P | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | M | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -2.0359 | |
| 224 | S | A | -1.4742 | |
| 225 | S | A | -1.6334 | |
| 226 | L | A | -1.1021 | |
| 227 | H | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | M | A | 0.0000 | |
| 230 | P | A | 0.0000 | |
| 231 | R | A | -0.6000 | |
| 232 | E | A | -0.8271 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.3314 | |
| 235 | G | A | -0.5313 | |
| 236 | K | A | -0.8476 | |
| 237 | S | A | -0.7103 | |
| 238 | T | A | 0.0000 | |
| 239 | F | A | 0.1910 | |
| 240 | E | A | -0.2357 | |
| 241 | L | A | -0.0328 | |
| 242 | A | A | 0.0000 | |
| 243 | M | A | -0.0120 | |
| 244 | K | A | -0.6254 | |
| 245 | M | A | 0.0209 | |
| 246 | L | A | -0.1837 | |
| 247 | R | A | -1.1940 | |
| 248 | W | A | 0.1869 | |
| 249 | Q | A | -0.4018 | mutated: FQ249A |
| 250 | P | A | -0.4022 | |
| 251 | L | A | -0.6253 | |
| 252 | R | A | -1.8281 | mutated: WR252A |
| 253 | L | A | -0.6916 | |
| 254 | V | A | 0.0000 | |
| 255 | D | A | 0.0000 | |
| 256 | K | A | -1.7402 | |
| 257 | I | A | -0.4201 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | -0.0023 | |
| 260 | Q | A | -0.5887 | mutated: VQ260A |
| 261 | L | A | 0.1260 | |
| 262 | S | A | 0.0000 | |
| 263 | W | A | 0.7952 | |
| 264 | M | A | 0.7033 | |
| 265 | R | A | -0.4375 | mutated: VR265A |
| 266 | L | A | 0.0000 | |
| 267 | G | A | -0.7321 | |
| 268 | N | A | -2.0271 | |
| 269 | I | A | 0.0000 | |
| 270 | E | A | -3.3955 | |
| 271 | K | A | -3.0366 | |
| 272 | Y | A | -1.8888 | |
| 273 | G | A | -1.8324 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.0738 | |
| 276 | R | A | -1.8177 | |
| 277 | P | A | -1.3610 | |
| 278 | E | A | -1.9626 | |
| 279 | M | A | -0.8880 | |
| 280 | G | A | -1.1787 | |
| 281 | P | A | 0.0000 | |
| 282 | M | A | -0.6421 | |
| 283 | E | A | -0.8876 | |
| 284 | L | A | -0.8537 | |
| 285 | K | A | -1.5212 | |
| 286 | S | A | -0.7496 | |
| 287 | V | A | 0.5445 | |
| 288 | K | A | -1.3874 | |
| 289 | G | A | -1.7785 | |
| 290 | K | A | -2.2469 | |
| 291 | T | A | -1.6995 | |
| 292 | P | A | -0.5754 | |
| 293 | V | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | D | A | -0.3733 | |
| 296 | I | A | 0.0553 | |
| 297 | G | A | -0.5785 | |
| 298 | A | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | E | A | -2.2809 | |
| 301 | K | A | -2.0834 | |
| 302 | I | A | 0.0000 | |
| 303 | R | A | -1.8270 | |
| 304 | L | A | -0.6095 | |
| 305 | G | A | -1.6511 | |
| 306 | K | A | -2.4869 | |
| 307 | I | A | 0.0000 | |
| 308 | N | A | -1.5332 | |
| 309 | V | A | -0.3532 | |
| 310 | V | A | 0.0000 | |
| 311 | P | A | -1.1830 | |
| 312 | G | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | K | A | -2.8318 | |
| 315 | R | A | -2.8213 | |
| 316 | F | A | 0.0000 | |
| 317 | N | A | -3.1449 | |
| 318 | G | A | -2.4077 | |
| 319 | N | A | -2.7133 | |
| 320 | K | A | -3.0562 | |
| 321 | V | A | 0.0000 | |
| 322 | E | A | -3.0738 | |
| 323 | L | A | 0.0000 | |
| 324 | V | A | -1.5543 | |
| 325 | N | A | -2.1741 | |
| 326 | G | A | -2.3756 | |
| 327 | E | A | -3.1277 | |
| 328 | Q | A | -3.3186 | |
| 329 | L | A | -2.3685 | |
| 330 | D | A | -3.0893 | |
| 331 | V | A | 0.0000 | |
| 332 | D | A | -2.5920 | |
| 333 | S | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | T | A | 0.0298 | |
| 339 | G | A | -0.4371 | |
| 340 | Y | A | -0.7870 | |
| 341 | R | A | -1.6392 | |
| 342 | S | A | 0.0000 | |
| 343 | N | A | -0.5684 | |
| 344 | V | A | 0.0000 | |
| 345 | P | A | -0.6596 | |
| 346 | Y | A | 0.6490 | |
| 347 | W | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | Q | A | -1.8121 | |
| 350 | E | A | -2.2227 | |
| 351 | N | A | -2.9524 | |
| 352 | E | A | -3.0771 | |
| 353 | F | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | A | A | -2.3472 | |
| 356 | K | A | -2.6060 | |
| 357 | N | A | -2.4693 | |
| 358 | G | A | 0.0000 | |
| 359 | F | A | -1.1614 | |
| 360 | P | A | 0.0000 | |
| 361 | K | A | -2.6550 | |
| 362 | T | A | -1.9303 | |
| 363 | V | A | -1.4840 | |
| 364 | A | A | -1.2528 | |
| 365 | D | A | -2.8610 | |
| 366 | N | A | -2.6176 | |
| 367 | N | A | -2.7361 | |
| 368 | G | A | 0.0000 | |
| 369 | W | A | -0.8989 | |
| 370 | K | A | -1.8708 | |
| 371 | G | A | -2.0571 | |
| 372 | R | A | -2.3946 | |
| 373 | T | A | -1.4651 | |
| 374 | G | A | -1.0167 | |
| 375 | L | A | 0.0000 | |
| 376 | Y | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | G | A | -0.6016 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | -1.2798 | |
| 382 | R | A | -2.3482 | |
| 383 | K | A | -2.3068 | |
| 384 | G | A | -1.4904 | |
| 385 | L | A | -0.4279 | |
| 386 | S | A | -0.5650 | |
| 387 | G | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | S | A | -0.0001 | |
| 390 | M | A | 0.7334 | |
| 391 | D | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | V | A | -0.0637 | |
| 394 | K | A | -1.0040 | |
| 395 | I | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | Q | A | -1.5930 | |
| 398 | D | A | -1.0945 | |
| 399 | I | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | S | A | -0.3763 | |
| 402 | V | A | 0.3802 | |
| 403 | W | A | -0.4736 | |
| 404 | Q | A | -1.0104 | |
| 405 | L | A | 0.1705 | |
| 406 | E | A | -1.0118 | |
| 407 | T | A | -1.3235 | |
| 408 | K | A | -2.2838 | |
| 409 | Q | A | -2.3756 | |
| 410 | P | A | -2.0183 | |
| 411 | T | A | -2.3166 | |
| 412 | K | A | -3.1356 | |
| 413 | R | A | -3.3719 | |
| 414 | S | A | -2.4398 | |
| 415 | R | A | -2.8335 | |
| 416 | G | A | -1.6946 | |
| 417 | S | A | -0.9843 | |
| 418 | L | A | -0.0714 | |
| 419 | R | A | -1.9328 | |
| 420 | R | A | -1.6962 | |
| 421 | C | A | 0.1074 | |
| 422 | I | A | 1.0033 | |
| 423 | S | A | -0.6684 | |
| 424 | Q | A | -1.3377 | |
| 425 | Q | A | -1.5441 |
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