| Chain sequence(s) |
A: ETSYIEDNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILLDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LV348A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.75382 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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] FoldX: Building mutant model (00:03:27)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:36)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:30)
[INFO] Main: Simulation completed successfully. (00:06:33)
|
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 | |
| 21 | E | A | -1.8305 | |
| 22 | T | A | -0.4042 | |
| 23 | S | A | -0.0281 | |
| 24 | Y | A | 0.2814 | |
| 25 | I | A | 0.1349 | |
| 26 | E | A | -1.7936 | |
| 27 | D | A | -0.8625 | |
| 28 | N | A | -1.3265 | |
| 31 | Q | A | -1.2971 | |
| 32 | N | A | -0.7707 | |
| 33 | G | A | -0.2417 | |
| 34 | A | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | I | A | 0.0000 | |
| 39 | F | A | 0.0000 | |
| 40 | S | A | -0.0754 | |
| 41 | L | A | 0.0000 | |
| 42 | K | A | -1.7395 | |
| 43 | E | A | -1.5271 | |
| 44 | E | A | -1.6615 | |
| 45 | V | A | 1.3894 | |
| 46 | G | A | 0.0634 | |
| 47 | A | A | 0.0000 | |
| 48 | L | A | 0.3864 | |
| 49 | A | A | -0.1972 | |
| 50 | K | A | -1.6577 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -0.1748 | |
| 53 | R | A | -1.9796 | |
| 54 | L | A | -0.1744 | |
| 55 | F | A | 0.0000 | |
| 56 | E | A | -2.3525 | |
| 57 | E | A | -2.1960 | |
| 58 | N | A | -0.8893 | |
| 59 | D | A | -1.7932 | |
| 60 | V | A | -0.3548 | |
| 61 | N | A | -1.0292 | |
| 62 | L | A | 0.8604 | |
| 63 | T | A | 0.0491 | |
| 64 | H | A | -0.4357 | |
| 65 | I | A | -0.0393 | |
| 66 | E | A | -0.7764 | |
| 67 | S | A | -0.4371 | |
| 68 | R | A | -1.4800 | |
| 69 | P | A | -0.4641 | |
| 70 | S | A | -0.3937 | |
| 71 | R | A | -1.7812 | |
| 72 | L | A | -0.0254 | |
| 73 | K | A | -0.5530 | |
| 74 | K | A | -1.8236 | |
| 75 | D | A | -0.7359 | |
| 76 | E | A | -0.4989 | |
| 77 | Y | A | 0.2937 | |
| 78 | E | A | -0.1443 | |
| 79 | F | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | T | A | 0.0000 | |
| 82 | H | A | -0.1789 | |
| 83 | L | A | 0.0200 | |
| 84 | D | A | -0.9852 | |
| 85 | K | A | -1.1764 | |
| 86 | R | A | -2.0050 | |
| 87 | S | A | -0.5523 | |
| 88 | L | A | 0.0000 | |
| 89 | P | A | -0.2507 | |
| 90 | A | A | -0.0240 | |
| 91 | L | A | 0.0000 | |
| 92 | T | A | -0.2529 | |
| 93 | N | A | -1.2766 | |
| 94 | I | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -1.5202 | |
| 97 | I | A | 0.2423 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -1.2101 | |
| 100 | H | A | -1.5058 | |
| 101 | D | A | -1.7801 | |
| 102 | I | A | 0.1963 | |
| 103 | G | A | -0.3535 | |
| 104 | A | A | -0.0893 | |
| 105 | T | A | -0.0691 | |
| 106 | V | A | 0.0000 | |
| 107 | H | A | -0.1821 | |
| 108 | E | A | -0.3016 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | R | A | 0.0000 | |
| 112 | D | A | -2.1006 | |
| 113 | K | A | -2.1641 | |
| 114 | K | A | -1.3680 | |
| 115 | K | A | -2.1643 | |
| 116 | D | A | -2.1025 | |
| 117 | T | A | -0.3050 | |
| 118 | V | A | 0.1750 | |
| 119 | P | A | -0.0082 | |
| 120 | W | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | -0.0248 | |
| 123 | R | A | 0.0000 | |
| 124 | T | A | -0.0293 | |
| 125 | I | A | -0.0023 | |
| 126 | Q | A | -1.1285 | |
| 127 | E | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -0.5447 | |
| 130 | R | A | -1.8364 | |
| 131 | F | A | -0.0881 | |
| 132 | A | A | 0.0000 | |
| 133 | N | A | -0.6806 | |
| 134 | Q | A | -0.4805 | |
| 135 | I | A | 0.5590 | |
| 136 | L | A | 1.6130 | |
| 142 | L | A | 1.2197 | |
| 143 | D | A | -1.4949 | |
| 144 | A | A | -0.5988 | |
| 145 | D | A | -1.8015 | |
| 146 | H | A | -0.4589 | |
| 147 | P | A | -0.0581 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | 1.6267 | |
| 150 | K | A | -1.3891 | |
| 151 | D | A | -0.6210 | |
| 152 | P | A | 0.0222 | |
| 153 | V | A | 1.7558 | |
| 154 | Y | A | 0.1498 | |
| 155 | R | A | -1.8036 | |
| 156 | A | A | -0.3189 | |
| 157 | R | A | -0.2533 | |
| 158 | R | A | -0.6973 | |
| 159 | K | A | -1.9254 | |
| 160 | Q | A | -1.1941 | |
| 161 | F | A | 0.0000 | |
| 162 | A | A | -0.4201 | |
| 163 | D | A | -1.2689 | |
| 164 | I | A | 0.0443 | |
| 165 | A | A | 0.0000 | |
| 166 | Y | A | 0.3662 | |
| 167 | N | A | -1.1635 | |
| 168 | Y | A | 0.0000 | |
| 169 | R | A | -0.9583 | |
| 170 | H | A | -0.4263 | |
| 171 | G | A | -0.6605 | |
| 172 | Q | A | -1.0141 | |
| 173 | P | A | -0.4157 | |
| 174 | I | A | 0.0000 | |
| 175 | P | A | -0.4678 | |
| 176 | R | A | -1.8674 | |
| 177 | V | A | 0.0000 | |
| 178 | E | A | -1.7960 | |
| 179 | Y | A | -0.1238 | |
| 180 | M | A | 0.1331 | |
| 181 | E | A | -2.1205 | |
| 182 | E | A | -2.1547 | |
| 183 | E | A | 0.0000 | |
| 184 | K | A | -0.9724 | |
| 185 | K | A | -1.7872 | |
| 186 | T | A | 0.0000 | |
| 187 | W | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | T | A | -0.0286 | |
| 190 | V | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | K | A | -1.2945 | |
| 193 | T | A | -0.2626 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -0.8419 | |
| 196 | S | A | -0.3303 | |
| 197 | L | A | 0.1251 | |
| 198 | Y | A | 0.0000 | |
| 199 | K | A | -1.7129 | |
| 200 | T | A | -0.3996 | |
| 201 | H | A | -0.1134 | |
| 202 | A | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | Y | A | 1.2164 | |
| 205 | E | A | -0.3955 | |
| 206 | Y | A | 0.0000 | |
| 207 | N | A | -0.4076 | |
| 208 | H | A | -1.0855 | |
| 209 | I | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | 0.0013 | |
| 212 | L | A | 0.4831 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -1.6344 | |
| 215 | K | A | -1.7011 | |
| 216 | Y | A | 1.0046 | |
| 217 | C | A | 0.0000 | |
| 218 | G | A | -0.1371 | |
| 219 | F | A | 0.0000 | |
| 220 | H | A | -1.1083 | |
| 221 | E | A | -1.1484 | |
| 222 | D | A | -1.9851 | |
| 223 | N | A | -0.7599 | |
| 224 | I | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | Q | A | -0.2007 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -0.5303 | |
| 229 | D | A | -1.8264 | |
| 230 | V | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | Q | A | -1.1633 | |
| 233 | F | A | -0.0289 | |
| 234 | L | A | 0.0000 | |
| 235 | Q | A | -1.2356 | |
| 236 | T | A | -0.2710 | |
| 237 | C | A | 0.0964 | |
| 238 | T | A | 0.0000 | |
| 239 | G | A | -0.3575 | |
| 240 | F | A | 0.0000 | |
| 241 | R | A | -0.2430 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | -0.0050 | |
| 247 | G | A | 0.0365 | |
| 248 | L | A | 0.5677 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | R | A | 0.0000 | |
| 253 | D | A | -0.1822 | |
| 254 | F | A | 0.2228 | |
| 255 | L | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | R | A | -0.4310 | |
| 262 | V | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | H | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | H | A | -0.2174 | |
| 272 | G | A | -0.4971 | |
| 273 | S | A | -0.5382 | |
| 274 | K | A | -1.7356 | |
| 275 | P | A | -0.2041 | |
| 276 | M | A | 1.0783 | |
| 277 | Y | A | 1.4677 | |
| 278 | T | A | 0.1891 | |
| 279 | P | A | -0.2947 | |
| 280 | E | A | -0.3988 | |
| 281 | P | A | -0.1082 | |
| 282 | D | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | H | A | -0.1182 | |
| 286 | E | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | D | A | -0.7592 | |
| 297 | R | A | -1.9294 | |
| 298 | S | A | -0.3821 | |
| 299 | F | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | Q | A | -0.4840 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | Q | A | 0.0000 | |
| 305 | E | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | P | A | -0.1102 | |
| 315 | D | A | -0.6644 | |
| 316 | E | A | -1.8390 | |
| 317 | Y | A | -0.1608 | |
| 318 | I | A | 0.0000 | |
| 319 | E | A | -1.1251 | |
| 320 | K | A | -0.5608 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | Y | A | 0.1482 | |
| 326 | W | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -0.1807 | |
| 331 | F | A | 0.1546 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | K | A | -1.3058 | |
| 336 | Q | A | -0.8954 | |
| 337 | G | A | -0.9053 | |
| 338 | D | A | -1.8887 | |
| 339 | S | A | -0.3051 | |
| 340 | I | A | 0.2716 | |
| 341 | K | A | -0.1802 | |
| 342 | A | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | G | A | -0.0714 | |
| 347 | L | A | 0.0000 | |
| 348 | V | A | 0.0000 | mutated: LV348A |
| 349 | S | A | -0.0334 | |
| 350 | S | A | 0.1835 | |
| 351 | F | A | 1.2201 | |
| 352 | G | A | -0.0368 | |
| 353 | E | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.9775 | |
| 356 | Y | A | 0.0144 | |
| 357 | C | A | 0.0000 | |
| 358 | L | A | 0.5117 | |
| 359 | S | A | -0.3049 | |
| 360 | E | A | -2.1416 | |
| 361 | K | A | -2.0360 | |
| 362 | P | A | -0.6484 | |
| 363 | K | A | -1.5654 | |
| 364 | L | A | 0.4942 | |
| 365 | L | A | 0.3545 | |
| 366 | P | A | -0.2067 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | -1.4025 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -1.9757 | |
| 371 | K | A | -1.1836 | |
| 372 | T | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | I | A | 1.9772 | |
| 375 | Q | A | -0.0613 | |
| 376 | N | A | -1.3088 | |
| 377 | Y | A | 0.0000 | |
| 378 | T | A | 0.1761 | |
| 379 | V | A | 0.9900 | |
| 380 | T | A | -0.2219 | |
| 381 | E | A | -1.6768 | |
| 382 | F | A | 0.5065 | |
| 383 | Q | A | 0.0000 | |
| 384 | P | A | -0.2549 | |
| 385 | L | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | E | A | -1.8330 | |
| 391 | S | A | -0.4046 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -1.5663 | |
| 394 | D | A | -1.6945 | |
| 395 | A | A | 0.0000 | |
| 396 | K | A | -0.7082 | |
| 397 | E | A | -2.1361 | |
| 398 | K | A | -0.9793 | |
| 399 | V | A | 0.0000 | |
| 400 | R | A | -1.7942 | |
| 401 | N | A | -1.5226 | |
| 402 | F | A | 0.0000 | |
| 403 | A | A | -0.1203 | |
| 404 | A | A | 0.0498 | |
| 405 | T | A | -0.0459 | |
| 406 | I | A | 0.0000 | |
| 407 | P | A | -0.3056 | |
| 408 | R | A | -0.3612 | |
| 409 | P | A | -0.2638 | |
| 410 | F | A | 0.0000 | |
| 411 | S | A | -0.1649 | |
| 412 | V | A | 0.0000 | |
| 413 | R | A | -0.5636 | |
| 414 | Y | A | 0.0778 | |
| 415 | D | A | 0.0000 | |
| 416 | P | A | -0.0801 | |
| 417 | Y | A | 1.2644 | |
| 418 | T | A | 0.1185 | |
| 419 | Q | A | -0.6584 | |
| 420 | R | A | -0.5390 | |
| 421 | I | A | 0.0000 | |
| 422 | E | A | -0.3905 | |
| 423 | V | A | 0.1526 | |
| 424 | L | A | -0.0563 | |
| 425 | D | A | -1.5734 | |
| 426 | N | A | -1.4551 | |
| 427 | T | A | -0.3925 | |
| 428 | Q | A | -0.5881 | |
| 429 | Q | A | -0.0089 | |
| 430 | L | A | 0.9232 | |
| 431 | K | A | -1.3698 | |
| 432 | I | A | 0.3620 | |
| 433 | L | A | 0.7221 | |
| 434 | A | A | -0.2185 | |
| 435 | D | A | -1.8032 | |
| 436 | S | A | -0.0601 | |
| 437 | I | A | 1.5481 | |
| 438 | N | A | -0.9415 | |
| 439 | S | A | -0.7788 | |
| 440 | E | A | -1.2565 | |
| 441 | I | A | 1.5931 | |
| 442 | G | A | 0.2799 | |
| 443 | I | A | 2.2130 | |
| 444 | L | A | 2.0537 | |
| 445 | C | A | 0.9747 | |
| 446 | S | A | -0.0801 |
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