| Chain sequence(s) |
A: MTSCSSFSGGKACRPADDSALTPLVADKAAAHPCYSRHGHHRFARMHLPVAPACNLQCNYCNRKFDCSNESRPGVSSTILTPEQAVVKVRQVAQAIPQLSVVGIAGPGDPLANIARTFRTLELIREQLPDLKLCLSTNGLMLPDAVDRLLDVGVDHVTVTINTLDAEIAAQIYAWLWLDGERYSGREAGEILIARQLEGVRRLTAKGVLVKINSVLIPGINDSGMADVSRALRASGAFIHNIMPLIARPEHGTHFGLNGQPEPDAETLAATRSRCGEVMPQMTHCHQCRADAIGMLGEDISQQFTQLPAPESLPAWLPILHQRAQLHASIATRGESEADDACLVAVASSRGDVIDCHFGHADRFYIYSLSAAGMRLVNERFTPKYCQGRDDCEPQDNAARFAAILELLADVKAVFCVRIGHTPWQQLEQEGIEPCVDGAWRPVSEVLPAWWQQRRGSWPAALPHKGVA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | AS112A,IC79A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.14663 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 (00:02:30)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:42)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:10)
[INFO] Main: Simulation completed successfully. (00:05:14)
|
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 | -0.1843 | |
| 2 | T | A | 0.0000 | |
| 3 | S | A | 0.0000 | |
| 4 | C | A | 0.0000 | |
| 5 | S | A | 0.0000 | |
| 6 | S | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | S | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | K | A | -2.0134 | |
| 12 | A | A | -1.6500 | |
| 13 | C | A | -1.2305 | |
| 14 | R | A | -2.2227 | |
| 15 | P | A | -1.6366 | |
| 16 | A | A | 0.0000 | |
| 17 | D | A | -1.7792 | |
| 18 | D | A | -1.7532 | |
| 19 | S | A | -0.9484 | |
| 20 | A | A | -0.4148 | |
| 21 | L | A | -0.2049 | |
| 22 | T | A | -0.0689 | |
| 23 | P | A | -0.1593 | |
| 24 | L | A | -0.1236 | |
| 25 | V | A | 0.1386 | |
| 26 | A | A | -0.1775 | |
| 27 | D | A | -0.2444 | |
| 28 | K | A | -0.3223 | |
| 29 | A | A | 0.0000 | |
| 30 | A | A | -0.6932 | |
| 31 | A | A | 0.0000 | |
| 32 | H | A | 0.0000 | |
| 33 | P | A | 0.0000 | |
| 34 | C | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | S | A | -1.7049 | |
| 37 | R | A | -2.9589 | |
| 38 | H | A | -2.1538 | |
| 39 | G | A | 0.0000 | |
| 40 | H | A | -1.6118 | |
| 41 | H | A | -2.1179 | |
| 42 | R | A | -1.6514 | |
| 43 | F | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | R | A | 0.0000 | |
| 46 | M | A | 0.0000 | |
| 47 | H | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | P | A | -0.0381 | |
| 53 | A | A | 0.0518 | |
| 54 | C | A | 0.2451 | |
| 55 | N | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | Q | A | 0.0452 | |
| 58 | C | A | 0.0000 | |
| 59 | N | A | 0.0000 | |
| 60 | Y | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | N | A | -0.7003 | |
| 63 | R | A | -1.1832 | |
| 64 | K | A | -1.7958 | |
| 65 | F | A | -1.0826 | |
| 66 | D | A | -2.1430 | |
| 67 | C | A | -1.6590 | |
| 68 | S | A | -1.6805 | |
| 69 | N | A | -1.9224 | |
| 70 | E | A | -1.4540 | |
| 71 | S | A | -1.0366 | |
| 72 | R | A | -0.8337 | |
| 73 | P | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | S | A | -1.1602 | |
| 78 | T | A | -0.3459 | |
| 79 | C | A | 0.0516 | mutated: IC79A |
| 80 | L | A | 0.0000 | |
| 81 | T | A | -1.0608 | |
| 82 | P | A | 0.0000 | |
| 83 | E | A | -2.3284 | |
| 84 | Q | A | -1.2900 | |
| 85 | A | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | V | A | -0.7841 | |
| 88 | K | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | R | A | -0.5097 | |
| 91 | Q | A | -0.5055 | |
| 92 | V | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | Q | A | -0.7929 | |
| 95 | A | A | -0.3766 | |
| 96 | I | A | -0.0193 | |
| 97 | P | A | -0.4001 | |
| 98 | Q | A | -0.4587 | |
| 99 | L | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | D | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | S | A | 0.2583 | mutated: AS112A |
| 113 | N | A | 0.0000 | |
| 114 | I | A | 0.0033 | |
| 115 | A | A | -0.3787 | |
| 116 | R | A | -1.1154 | |
| 117 | T | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | R | A | -2.6843 | |
| 120 | T | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | E | A | -3.1327 | |
| 123 | L | A | -2.2055 | |
| 124 | I | A | 0.0000 | |
| 125 | R | A | 0.0000 | |
| 126 | E | A | -2.6851 | |
| 127 | Q | A | -1.7057 | |
| 128 | L | A | 0.0000 | |
| 129 | P | A | 0.0000 | |
| 130 | D | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | K | A | -0.3277 | |
| 133 | L | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | M | A | -0.4123 | |
| 142 | L | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | D | A | -2.3419 | |
| 145 | A | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | D | A | -3.2455 | |
| 148 | R | A | -2.6500 | |
| 149 | L | A | 0.0000 | |
| 150 | L | A | -1.7907 | |
| 151 | D | A | -2.6185 | |
| 152 | V | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -0.3884 | |
| 156 | H | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | N | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | L | A | -0.8883 | |
| 165 | D | A | -2.0585 | |
| 166 | A | A | 0.0000 | |
| 167 | E | A | -3.2109 | |
| 168 | I | A | -1.3780 | |
| 169 | A | A | 0.0000 | |
| 170 | A | A | -2.2613 | |
| 171 | Q | A | -1.5364 | |
| 172 | I | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | A | A | -0.2624 | |
| 175 | W | A | -0.3492 | |
| 176 | L | A | 0.0000 | |
| 177 | W | A | -1.0085 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | -2.6822 | |
| 180 | G | A | -2.4294 | |
| 181 | E | A | -3.2221 | |
| 182 | R | A | -2.7018 | |
| 183 | Y | A | -1.6897 | |
| 184 | S | A | -1.5830 | |
| 185 | G | A | -2.3318 | |
| 186 | R | A | -3.9671 | |
| 187 | E | A | -3.4812 | |
| 188 | A | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | E | A | -3.1335 | |
| 191 | I | A | -1.2701 | |
| 192 | L | A | 0.0000 | |
| 193 | I | A | -0.6246 | |
| 194 | A | A | -0.6994 | |
| 195 | R | A | -1.2433 | |
| 196 | Q | A | 0.0000 | |
| 197 | L | A | -1.1112 | |
| 198 | E | A | -2.5269 | |
| 199 | G | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | R | A | -2.7817 | |
| 202 | R | A | -3.0309 | |
| 203 | L | A | 0.0000 | |
| 204 | T | A | -1.6469 | |
| 205 | A | A | -1.7865 | |
| 206 | K | A | -2.7289 | |
| 207 | G | A | -1.7547 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | K | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | P | A | -0.7078 | |
| 219 | G | A | -0.5007 | |
| 220 | I | A | -0.3508 | |
| 221 | N | A | 0.0000 | |
| 222 | D | A | -0.5753 | |
| 223 | S | A | -0.7503 | |
| 224 | G | A | -0.9774 | |
| 225 | M | A | 0.0000 | |
| 226 | A | A | -2.0423 | |
| 227 | D | A | -2.7042 | |
| 228 | V | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | R | A | -3.1546 | |
| 231 | A | A | -1.7947 | |
| 232 | L | A | 0.0000 | |
| 233 | R | A | -2.4177 | |
| 234 | A | A | -1.4552 | |
| 235 | S | A | 0.0000 | |
| 236 | G | A | -1.3617 | |
| 237 | A | A | 0.0000 | |
| 238 | F | A | -0.2877 | |
| 239 | I | A | 0.0000 | |
| 240 | H | A | 0.0000 | |
| 241 | N | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | M | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | R | A | -2.7226 | |
| 249 | P | A | -1.9622 | |
| 250 | E | A | -2.3822 | |
| 251 | H | A | -1.8788 | |
| 252 | G | A | -1.2672 | |
| 253 | T | A | 0.0000 | |
| 254 | H | A | -0.6858 | |
| 255 | F | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | L | A | -0.2454 | |
| 258 | N | A | -1.2324 | |
| 259 | G | A | -1.2577 | |
| 260 | Q | A | -1.1111 | |
| 261 | P | A | -1.4070 | |
| 262 | E | A | -1.4378 | |
| 263 | P | A | -1.6068 | |
| 264 | D | A | -2.5080 | |
| 265 | A | A | -1.9361 | |
| 266 | E | A | -2.3353 | |
| 267 | T | A | -1.5945 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.0239 | |
| 270 | A | A | -0.8709 | |
| 271 | T | A | 0.0000 | |
| 272 | R | A | 0.0000 | |
| 273 | S | A | -1.2498 | |
| 274 | R | A | -1.8894 | |
| 275 | C | A | 0.0000 | |
| 276 | G | A | -1.6522 | |
| 277 | E | A | -2.4505 | |
| 278 | V | A | -2.0606 | |
| 279 | M | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | Q | A | 0.0000 | |
| 282 | M | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | C | A | 0.0000 | |
| 286 | H | A | -1.1473 | |
| 287 | Q | A | -0.7069 | |
| 288 | C | A | 0.0000 | |
| 289 | R | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | D | A | 0.0000 | |
| 292 | A | A | -0.7047 | |
| 293 | I | A | 0.0000 | |
| 294 | G | A | -1.0403 | |
| 295 | M | A | -1.3030 | |
| 296 | L | A | -1.2966 | |
| 297 | G | A | -1.7420 | |
| 298 | E | A | -2.5821 | |
| 299 | D | A | -2.6293 | |
| 300 | I | A | -1.6444 | |
| 301 | S | A | -1.5701 | |
| 302 | Q | A | -2.3194 | |
| 303 | Q | A | -2.1060 | |
| 304 | F | A | 0.0000 | |
| 305 | T | A | -1.2582 | |
| 306 | Q | A | -1.4054 | |
| 307 | L | A | -0.3153 | |
| 308 | P | A | -0.5713 | |
| 309 | A | A | -0.7339 | |
| 310 | P | A | -1.3715 | |
| 311 | E | A | -1.9817 | |
| 312 | S | A | -1.1440 | |
| 313 | L | A | -0.7984 | |
| 314 | P | A | -0.5356 | |
| 315 | A | A | -0.2300 | |
| 316 | W | A | 0.0000 | |
| 317 | L | A | -0.3065 | |
| 318 | P | A | -0.6606 | |
| 319 | I | A | -0.5335 | |
| 320 | L | A | 0.0000 | |
| 321 | H | A | -1.0741 | |
| 322 | Q | A | -1.4875 | |
| 323 | R | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -1.1515 | |
| 326 | L | A | -0.5270 | |
| 327 | H | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | S | A | -1.2340 | |
| 330 | I | A | -0.8299 | |
| 331 | A | A | -0.9284 | |
| 332 | T | A | 0.0000 | |
| 333 | R | A | -2.3531 | |
| 334 | G | A | -2.0464 | |
| 335 | E | A | -2.4222 | |
| 336 | S | A | 0.0000 | |
| 337 | E | A | -2.9316 | |
| 338 | A | A | -2.1878 | |
| 339 | D | A | -2.8291 | |
| 340 | D | A | -2.4595 | |
| 341 | A | A | -1.7942 | |
| 342 | C | A | -1.1765 | |
| 343 | L | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | S | A | 0.0000 | |
| 349 | S | A | -1.3736 | |
| 350 | R | A | -2.2477 | |
| 351 | G | A | 0.0000 | |
| 352 | D | A | -1.1493 | |
| 353 | V | A | -0.7484 | |
| 354 | I | A | 0.0000 | |
| 355 | D | A | -0.7723 | |
| 356 | C | A | -1.0089 | |
| 357 | H | A | -1.4266 | |
| 358 | F | A | 0.0000 | |
| 359 | G | A | -1.1080 | |
| 360 | H | A | -1.6444 | |
| 361 | A | A | 0.0000 | |
| 362 | D | A | -1.9419 | |
| 363 | R | A | -1.4712 | |
| 364 | F | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | Y | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | A | A | -0.5583 | |
| 372 | A | A | -0.6515 | |
| 373 | G | A | -0.2856 | |
| 374 | M | A | -0.0936 | |
| 375 | R | A | -0.3807 | |
| 376 | L | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | N | A | 0.0000 | |
| 379 | E | A | -0.3249 | |
| 380 | R | A | 0.0000 | |
| 381 | F | A | -0.9883 | |
| 382 | T | A | 0.0000 | |
| 383 | P | A | -1.5621 | |
| 384 | K | A | -2.4557 | |
| 385 | Y | A | -1.5237 | |
| 386 | C | A | 0.0000 | |
| 387 | Q | A | -2.4590 | |
| 388 | G | A | -2.2899 | |
| 389 | R | A | -2.8912 | |
| 390 | D | A | -3.1203 | |
| 391 | D | A | -3.2045 | |
| 392 | C | A | -2.2544 | |
| 393 | E | A | -1.9021 | |
| 394 | P | A | -1.6994 | |
| 395 | Q | A | -1.8330 | |
| 396 | D | A | -1.6267 | |
| 397 | N | A | -1.3908 | |
| 398 | A | A | -0.7830 | |
| 399 | A | A | -0.4385 | |
| 400 | R | A | 0.0000 | |
| 401 | F | A | -0.2948 | |
| 402 | A | A | -0.3380 | |
| 403 | A | A | -0.3863 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | -0.9646 | |
| 406 | E | A | -1.6887 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | A | A | -1.2391 | |
| 410 | D | A | -1.3803 | |
| 411 | V | A | 0.0000 | |
| 412 | K | A | -1.0726 | |
| 413 | A | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | R | A | -1.6045 | |
| 419 | I | A | 0.0000 | |
| 420 | G | A | -0.8300 | |
| 421 | H | A | -1.3518 | |
| 422 | T | A | -0.9439 | |
| 423 | P | A | -1.0165 | |
| 424 | W | A | 0.0000 | |
| 425 | Q | A | -2.7451 | |
| 426 | Q | A | -2.2089 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -2.5542 | |
| 429 | Q | A | -2.9229 | |
| 430 | E | A | -3.3452 | |
| 431 | G | A | -2.2353 | |
| 432 | I | A | 0.0000 | |
| 433 | E | A | -1.0714 | |
| 434 | P | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | V | A | -0.7997 | |
| 437 | D | A | -1.8249 | |
| 438 | G | A | 0.0000 | |
| 439 | A | A | -0.7431 | |
| 440 | W | A | 0.0508 | |
| 441 | R | A | -1.9074 | |
| 442 | P | A | -1.2903 | |
| 443 | V | A | 0.0000 | |
| 444 | S | A | -1.3509 | |
| 445 | E | A | -2.2296 | |
| 446 | V | A | -1.2444 | |
| 447 | L | A | 0.0000 | |
| 448 | P | A | -0.8880 | |
| 449 | A | A | -1.0766 | |
| 450 | W | A | 0.0000 | |
| 451 | W | A | -1.5494 | |
| 452 | Q | A | -2.3309 | |
| 453 | Q | A | -2.3441 | |
| 454 | R | A | -2.1651 | |
| 455 | R | A | -2.9311 | |
| 456 | G | A | -2.1526 | |
| 457 | S | A | -1.3565 | |
| 458 | W | A | -0.7213 | |
| 459 | P | A | -0.1463 | |
| 460 | A | A | -0.1626 | |
| 461 | A | A | -0.2783 | |
| 462 | L | A | -0.6765 | |
| 463 | P | A | -0.9772 | |
| 464 | H | A | -1.8923 | |
| 465 | K | A | -2.4173 | |
| 466 | G | A | -1.4903 | |
| 467 | V | A | -0.1445 | |
| 468 | A | A | -0.1208 |
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