| Chain sequence(s) |
A: MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | HS276A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.159119 kcal/mol |
| 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 (00:09:54)
[INFO] FoldX: Starting FoldX energy minimalization (00:10:04)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:23)
[INFO] Main: Simulation completed successfully. (00:14:27)
|
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 | 0.7251 | |
| 2 | D | A | -1.6343 | |
| 3 | S | A | -0.2545 | |
| 4 | L | A | 1.6791 | |
| 5 | V | A | 1.4846 | |
| 6 | V | A | 1.7959 | |
| 7 | L | A | 1.6902 | |
| 8 | V | A | 2.0334 | |
| 9 | L | A | 1.6688 | |
| 10 | C | A | 1.0062 | |
| 11 | L | A | 1.5059 | |
| 12 | S | A | 0.3362 | |
| 13 | C | A | 0.7995 | |
| 14 | L | A | 1.7877 | |
| 15 | L | A | 1.1652 | |
| 16 | L | A | 0.8777 | |
| 17 | L | A | 0.7433 | |
| 18 | S | A | 0.1865 | |
| 19 | L | A | 0.9124 | |
| 20 | W | A | 1.0294 | |
| 21 | R | A | -1.6602 | |
| 22 | Q | A | -0.4597 | |
| 23 | S | A | -0.2783 | |
| 24 | S | A | -0.3228 | |
| 25 | G | A | -0.5445 | |
| 26 | R | A | -0.7392 | |
| 27 | G | A | -0.8631 | |
| 28 | K | A | -1.6927 | |
| 29 | L | A | -0.1356 | |
| 30 | P | A | 0.0000 | |
| 31 | P | A | -0.1309 | |
| 32 | G | A | 0.0000 | |
| 33 | P | A | 0.0000 | |
| 34 | T | A | -0.0709 | |
| 35 | P | A | 0.0000 | |
| 36 | L | A | 0.5312 | |
| 37 | P | A | 0.3145 | |
| 38 | V | A | 1.8601 | |
| 39 | I | A | 0.8986 | |
| 40 | G | A | 0.0000 | |
| 41 | N | A | 0.0000 | |
| 42 | I | A | 0.5967 | |
| 43 | L | A | 1.5014 | |
| 44 | Q | A | -0.3007 | |
| 45 | I | A | 0.0000 | |
| 46 | G | A | -0.2134 | |
| 47 | I | A | 0.0593 | |
| 48 | K | A | -1.7241 | |
| 49 | D | A | -0.8481 | |
| 50 | I | A | 0.0000 | |
| 51 | S | A | -0.3418 | |
| 52 | K | A | -1.7107 | |
| 53 | S | A | -0.3332 | |
| 54 | L | A | 0.0000 | |
| 55 | T | A | -0.2019 | |
| 56 | N | A | -0.8447 | |
| 57 | L | A | 0.0005 | |
| 58 | S | A | -0.3146 | |
| 59 | K | A | -1.3877 | |
| 60 | V | A | 1.5289 | |
| 61 | Y | A | 0.6270 | |
| 62 | G | A | -0.0954 | |
| 63 | P | A | -0.1632 | |
| 64 | V | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | Y | A | 0.1210 | |
| 69 | F | A | 0.0000 | |
| 70 | G | A | 0.3187 | |
| 71 | L | A | 1.4720 | |
| 72 | K | A | -0.1131 | |
| 73 | P | A | -0.1205 | |
| 74 | I | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | H | A | -0.1460 | |
| 79 | G | A | -0.0958 | |
| 80 | Y | A | 0.0000 | |
| 81 | E | A | -1.8199 | |
| 82 | A | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | K | A | -0.7365 | |
| 85 | E | A | -1.1907 | |
| 86 | A | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | I | A | 0.7724 | |
| 89 | D | A | -1.6210 | |
| 90 | L | A | 0.0098 | |
| 91 | G | A | -0.1902 | |
| 92 | E | A | -1.9275 | |
| 93 | E | A | -0.8703 | |
| 94 | F | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | R | A | -0.1778 | |
| 98 | G | A | 0.0000 | |
| 99 | I | A | 1.2257 | |
| 100 | F | A | 0.4177 | |
| 101 | P | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | A | A | -0.2674 | |
| 104 | E | A | -1.7614 | |
| 105 | R | A | -0.6338 | |
| 106 | A | A | -0.0584 | |
| 107 | N | A | 0.0000 | |
| 108 | R | A | -2.0266 | |
| 109 | G | A | -0.4375 | |
| 110 | F | A | 0.2664 | |
| 111 | G | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | V | A | 0.3870 | |
| 114 | F | A | 0.3527 | |
| 115 | S | A | 0.0000 | |
| 116 | N | A | -1.0356 | |
| 117 | G | A | -0.9194 | |
| 118 | K | A | -1.8318 | |
| 119 | K | A | -0.5982 | |
| 120 | W | A | 0.0000 | |
| 121 | K | A | -1.6774 | |
| 122 | E | A | -0.9108 | |
| 123 | I | A | 0.0000 | |
| 124 | R | A | 0.0000 | |
| 125 | R | A | -1.8441 | |
| 126 | F | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | L | A | 0.9421 | |
| 129 | M | A | 0.4687 | |
| 130 | T | A | 0.0000 | |
| 131 | L | A | -0.1720 | |
| 132 | R | A | -1.9264 | |
| 133 | N | A | -0.9467 | |
| 134 | F | A | 0.0000 | |
| 135 | G | A | -0.0413 | |
| 136 | M | A | 0.9326 | |
| 137 | G | A | -0.5808 | |
| 138 | K | A | -2.1099 | |
| 139 | R | A | -2.1567 | |
| 140 | S | A | -0.3894 | |
| 141 | I | A | 0.1867 | |
| 142 | E | A | -0.4102 | |
| 143 | D | A | -1.0030 | |
| 144 | R | A | -0.3448 | |
| 145 | V | A | 0.0000 | |
| 146 | Q | A | -0.5095 | |
| 147 | E | A | -1.8526 | |
| 148 | E | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | R | A | -1.7929 | |
| 151 | C | A | -0.0559 | |
| 152 | L | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | E | A | -1.9943 | |
| 155 | E | A | -0.7978 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.8953 | |
| 158 | K | A | -1.9525 | |
| 159 | T | A | -0.6124 | |
| 160 | K | A | -1.6976 | |
| 161 | A | A | -0.2190 | |
| 162 | S | A | -0.1784 | |
| 163 | P | A | -0.2616 | |
| 164 | C | A | -0.1366 | |
| 165 | D | A | -1.0944 | |
| 166 | P | A | 0.0000 | |
| 167 | T | A | 0.0908 | |
| 168 | F | A | 0.5837 | |
| 169 | I | A | 0.3246 | |
| 170 | L | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | P | A | 0.0000 | |
| 175 | C | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | C | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | H | A | -1.1897 | |
| 185 | K | A | -1.3606 | |
| 186 | R | A | -0.5769 | |
| 187 | F | A | 0.0000 | |
| 188 | D | A | -1.7894 | |
| 189 | Y | A | 0.0000 | |
| 190 | K | A | -1.8168 | |
| 191 | D | A | -1.1729 | |
| 192 | Q | A | -1.3960 | |
| 193 | Q | A | -0.6572 | |
| 194 | F | A | 0.0000 | |
| 195 | L | A | 0.1904 | |
| 196 | N | A | -0.4583 | |
| 197 | L | A | 0.0000 | |
| 198 | M | A | 0.0000 | |
| 199 | E | A | -1.8656 | |
| 200 | K | A | -0.6195 | |
| 201 | L | A | 0.0000 | |
| 202 | N | A | 0.0000 | |
| 203 | E | A | -0.4088 | |
| 204 | N | A | 0.0000 | |
| 205 | I | A | -0.0560 | |
| 206 | K | A | -1.4177 | |
| 207 | I | A | 0.0000 | |
| 208 | L | A | 0.2716 | |
| 209 | S | A | 0.0000 | |
| 210 | S | A | -0.0468 | |
| 211 | P | A | -0.0014 | |
| 212 | W | A | 0.3368 | |
| 213 | I | A | 0.0000 | |
| 214 | Q | A | -0.1812 | |
| 215 | I | A | 0.3887 | |
| 216 | C | A | 0.0000 | |
| 217 | N | A | -0.1731 | |
| 218 | N | A | -0.1158 | |
| 219 | F | A | 0.2373 | |
| 220 | S | A | -0.0757 | |
| 221 | P | A | -0.2179 | |
| 222 | I | A | 0.2412 | |
| 223 | I | A | 0.0000 | |
| 224 | D | A | -1.5513 | |
| 225 | Y | A | 1.3080 | |
| 226 | F | A | 1.9487 | |
| 227 | P | A | 0.0236 | |
| 228 | G | A | -0.2775 | |
| 229 | T | A | -0.0827 | |
| 230 | H | A | 0.0000 | |
| 231 | N | A | -0.9109 | |
| 232 | K | A | -1.4925 | |
| 233 | L | A | 0.0000 | |
| 234 | L | A | 0.0031 | |
| 235 | K | A | -1.6454 | |
| 236 | N | A | 0.0000 | |
| 237 | V | A | 0.1833 | |
| 238 | A | A | 0.1898 | |
| 239 | F | A | 0.7088 | |
| 240 | M | A | 0.0000 | |
| 241 | K | A | -0.2256 | |
| 242 | S | A | -0.1694 | |
| 243 | Y | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | L | A | -0.0384 | |
| 246 | E | A | -1.8119 | |
| 247 | K | A | -0.5723 | |
| 248 | V | A | 0.0000 | |
| 249 | K | A | -1.7513 | |
| 250 | E | A | -2.0845 | |
| 251 | H | A | -0.5621 | |
| 252 | Q | A | -1.1440 | |
| 253 | E | A | -1.9757 | |
| 254 | S | A | -0.4934 | |
| 255 | M | A | -0.0089 | |
| 256 | D | A | -1.0183 | |
| 257 | M | A | -0.0743 | |
| 258 | N | A | -1.3339 | |
| 259 | N | A | -0.9378 | |
| 260 | P | A | -0.3253 | |
| 261 | Q | A | -0.6222 | |
| 262 | D | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | D | A | 0.0000 | |
| 266 | C | A | 0.1104 | |
| 267 | F | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | M | A | 0.0433 | |
| 270 | K | A | -0.3966 | |
| 271 | M | A | -0.1252 | |
| 272 | E | A | -1.4859 | |
| 273 | K | A | -1.9575 | |
| 274 | E | A | -0.8299 | |
| 275 | K | A | -1.7779 | |
| 276 | S | A | -0.7448 | mutated: HS276A |
| 277 | N | A | -1.5262 | |
| 278 | Q | A | -1.4981 | |
| 279 | P | A | -0.5973 | |
| 280 | S | A | -0.1553 | |
| 281 | E | A | -0.3402 | |
| 282 | F | A | 0.0000 | |
| 283 | T | A | 0.0758 | |
| 284 | I | A | 0.2527 | |
| 285 | E | A | -1.4291 | |
| 286 | S | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | E | A | -0.2526 | |
| 289 | N | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | D | A | -0.1914 | |
| 294 | L | A | 0.0000 | |
| 295 | F | A | 0.0000 | |
| 296 | G | A | -0.0656 | |
| 297 | A | A | 0.0067 | |
| 298 | G | A | -0.0773 | |
| 299 | T | A | 0.0000 | |
| 300 | E | A | 0.0000 | |
| 301 | T | A | -0.0347 | |
| 302 | T | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | T | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | R | A | -0.1796 | |
| 308 | Y | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -0.4473 | |
| 316 | H | A | -0.2822 | |
| 317 | P | A | -0.4815 | |
| 318 | E | A | -1.5183 | |
| 319 | V | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | A | A | -0.1338 | |
| 322 | K | A | -0.9279 | |
| 323 | V | A | 0.0000 | |
| 324 | Q | A | -0.4958 | |
| 325 | E | A | -1.8505 | |
| 326 | E | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | E | A | -1.7517 | |
| 329 | R | A | -2.0387 | |
| 330 | V | A | 0.0011 | |
| 331 | I | A | 0.0000 | |
| 332 | G | A | -0.4874 | |
| 333 | R | A | -1.4128 | |
| 334 | N | A | -1.6322 | |
| 335 | R | A | -1.0654 | |
| 336 | S | A | -0.1929 | |
| 337 | P | A | 0.0000 | |
| 338 | C | A | 0.1570 | |
| 339 | M | A | -0.0111 | |
| 340 | Q | A | -1.1650 | |
| 341 | D | A | 0.0000 | |
| 342 | R | A | -0.8148 | |
| 343 | S | A | -0.5295 | |
| 344 | H | A | -1.0282 | |
| 345 | M | A | 0.0000 | |
| 346 | P | A | 0.0185 | |
| 347 | Y | A | 0.1417 | |
| 348 | T | A | 0.0000 | |
| 349 | D | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | H | A | 0.0000 | |
| 354 | E | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | Q | A | 0.0000 | |
| 357 | R | A | 0.0000 | |
| 358 | Y | A | 0.2214 | |
| 359 | I | A | 0.0000 | |
| 360 | D | A | 0.0000 | |
| 361 | L | A | 0.2337 | |
| 362 | L | A | 0.2486 | |
| 363 | P | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | S | A | 0.0000 | |
| 366 | L | A | 0.2337 | |
| 367 | P | A | 0.0162 | |
| 368 | H | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | T | A | 0.0243 | |
| 372 | C | A | -0.2588 | |
| 373 | D | A | -1.9636 | |
| 374 | I | A | 0.0000 | |
| 375 | K | A | -1.6617 | |
| 376 | F | A | 0.0000 | |
| 377 | R | A | -2.0717 | |
| 378 | N | A | -1.5580 | |
| 379 | Y | A | 0.0776 | |
| 380 | L | A | 0.1444 | |
| 381 | I | A | 0.0000 | |
| 382 | P | A | -0.6466 | |
| 383 | K | A | -1.9875 | |
| 384 | G | A | -0.7759 | |
| 385 | T | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | I | A | 0.0000 | |
| 388 | L | A | 0.1936 | |
| 389 | I | A | 0.0000 | |
| 390 | S | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | T | A | -0.0119 | |
| 393 | S | A | -0.0219 | |
| 394 | V | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | H | A | -0.3397 | |
| 397 | D | A | -0.6315 | |
| 398 | N | A | -1.6661 | |
| 399 | K | A | -2.0354 | |
| 400 | E | A | -0.9091 | |
| 401 | F | A | 0.0000 | |
| 402 | P | A | -0.5787 | |
| 403 | N | A | -1.0900 | |
| 404 | P | A | 0.0000 | |
| 405 | E | A | -1.6605 | |
| 406 | M | A | 0.5537 | |
| 407 | F | A | 0.0000 | |
| 408 | D | A | -0.6969 | |
| 409 | P | A | 0.0000 | |
| 410 | H | A | -0.9883 | |
| 411 | H | A | -0.2947 | |
| 412 | F | A | 0.0000 | |
| 413 | L | A | 0.0531 | |
| 414 | D | A | -0.7203 | |
| 415 | E | A | -1.9803 | |
| 416 | G | A | -0.8381 | |
| 417 | G | A | -0.5748 | |
| 418 | N | A | -1.2492 | |
| 419 | F | A | -0.1413 | |
| 420 | K | A | -1.9048 | |
| 421 | K | A | -1.8212 | |
| 422 | S | A | -0.6034 | |
| 423 | K | A | -1.7041 | |
| 424 | Y | A | 0.0000 | |
| 425 | F | A | 0.2154 | |
| 426 | M | A | 0.0000 | |
| 427 | P | A | 0.0113 | |
| 428 | F | A | 0.2980 | |
| 429 | S | A | 0.0322 | |
| 430 | A | A | 0.0000 | |
| 431 | G | A | -0.2000 | |
| 432 | K | A | -1.0123 | |
| 433 | R | A | 0.0000 | |
| 434 | I | A | 0.8641 | |
| 435 | C | A | 0.4831 | |
| 436 | V | A | 0.3317 | |
| 437 | G | A | -0.2198 | |
| 438 | E | A | -1.0958 | |
| 439 | A | A | -0.1075 | |
| 440 | L | A | 0.1860 | |
| 441 | A | A | 0.0104 | |
| 442 | G | A | -0.1229 | |
| 443 | M | A | 0.1253 | |
| 444 | E | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | F | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | T | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | Q | A | 0.0000 | |
| 455 | N | A | -0.2492 | |
| 456 | F | A | 0.0000 | |
| 457 | N | A | -0.6892 | |
| 458 | L | A | -0.2088 | |
| 459 | K | A | -1.4925 | |
| 460 | S | A | -0.1078 | |
| 461 | L | A | 1.2653 | |
| 462 | V | A | 1.0009 | |
| 463 | D | A | -1.1419 | |
| 464 | P | A | -0.6491 | |
| 465 | K | A | -1.9401 | |
| 466 | N | A | -1.5795 | |
| 467 | L | A | 0.0000 | |
| 468 | D | A | -1.7907 | |
| 469 | T | A | -0.3409 | |
| 470 | T | A | -0.0830 | |
| 471 | P | A | 0.2433 | |
| 472 | V | A | 1.8393 | |
| 473 | V | A | 0.6889 | |
| 474 | N | A | -0.2561 | |
| 475 | G | A | -0.0409 | |
| 476 | F | A | 0.3395 | |
| 477 | A | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | P | A | 0.0000 | |
| 481 | P | A | 0.3331 | |
| 482 | F | A | 1.9356 | |
| 483 | Y | A | 0.0000 | |
| 484 | Q | A | -0.7025 | |
| 485 | L | A | 0.0000 | |
| 486 | C | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | I | A | 0.7864 | |
| 489 | P | A | 0.2819 | |
| 490 | V | A | 1.7394 |
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