| Chain sequence(s) |
A: MTSCSSFSGGKACRPADDSALTPLVADKAAAHPCYSRHGHHRFARMHLPVAPACNLQCNYCNRKFDCSNESRPGVSSTLLTPEQAVVKVRQVAQAIPQLSVVGIAGPGDPLANIARTFRTLELIREQLPDLKLCLSTNGLMLPDAVDRLLDVGVDHVTVTINTLDAEIAAQIYAWLWLDGERYSGREAGEILIARQLEGVRRLTAKGVLVKINSVLIPGINDSGMADVSRALRASGAFIHNIMPLIARPEHGTVFGLNGQPEPDAETLAATRSRCGEVMPQMTHCHQCRADAIGMLGEDISQQFTQLPAPESLPAWLPILHQRAQLHASIATRGESEADDACLVAVASSRGDVIDCHFGHADRFYIYSLSAAGMVLVNERFTPKYCQGRDDCEPQDNAARFAAILELLADVKAVFCVRIGHTPWQQLEQEGIEPCVDGAWRPVSEVLPAWWQQRRGSWPAALPHKGVA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VH254A,VR375A,LI79A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.603047 kcal/mol |
| 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 (00:02:47)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:23)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:06)
[INFO] Main: Simulation completed successfully. (00:06:10)
|
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 | -0.1799 | |
| 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 | -2.0008 | |
| 12 | A | A | -1.6308 | |
| 13 | C | A | -1.1933 | |
| 14 | R | A | -2.1529 | |
| 15 | P | A | -1.6038 | |
| 16 | A | A | 0.0000 | |
| 17 | D | A | -1.7805 | |
| 18 | D | A | -1.7548 | |
| 19 | S | A | -0.9487 | |
| 20 | A | A | -0.4153 | |
| 21 | L | A | -0.2057 | |
| 22 | T | A | -0.0692 | |
| 23 | P | A | -0.1610 | |
| 24 | L | A | -0.1249 | |
| 25 | V | A | 0.1381 | |
| 26 | A | A | -0.1781 | |
| 27 | D | A | -0.2490 | |
| 28 | K | A | -0.3293 | |
| 29 | A | A | 0.0000 | |
| 30 | A | A | -0.6973 | |
| 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 | -1.7102 | |
| 37 | R | A | -2.9583 | |
| 38 | H | A | -2.1586 | |
| 39 | G | A | 0.0000 | |
| 40 | H | A | -1.6180 | |
| 41 | H | A | -2.1213 | |
| 42 | R | A | -1.6530 | |
| 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 | 0.0752 | |
| 53 | A | A | 0.0671 | |
| 54 | C | A | 0.2639 | |
| 55 | N | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | Q | A | 0.0453 | |
| 58 | C | A | 0.0000 | |
| 59 | N | A | 0.0000 | |
| 60 | Y | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | N | A | -0.6975 | |
| 63 | R | A | -1.1797 | |
| 64 | K | A | -1.8006 | |
| 65 | F | A | -0.9997 | |
| 66 | D | A | -2.0925 | |
| 67 | C | A | -1.6637 | |
| 68 | S | A | -1.6841 | |
| 69 | N | A | -1.9234 | |
| 70 | E | A | -1.4573 | |
| 71 | S | A | -1.0310 | |
| 72 | R | A | -0.8331 | |
| 73 | P | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | S | A | -1.0605 | |
| 78 | T | A | -0.0971 | |
| 79 | I | A | 0.5659 | mutated: LI79A |
| 80 | L | A | 0.0000 | |
| 81 | T | A | -0.9384 | |
| 82 | P | A | 0.0000 | |
| 83 | E | A | -2.3235 | |
| 84 | Q | A | -1.2224 | |
| 85 | A | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | V | A | -0.7847 | |
| 88 | K | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | R | A | -0.5141 | |
| 91 | Q | A | -0.5066 | |
| 92 | V | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | Q | A | -0.7888 | |
| 95 | A | A | -0.3740 | |
| 96 | I | A | -0.0178 | |
| 97 | P | A | -0.3984 | |
| 98 | Q | A | -0.4579 | |
| 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 | A | A | 0.3211 | |
| 113 | N | A | 0.0000 | |
| 114 | I | A | 0.0281 | |
| 115 | A | A | -0.3592 | |
| 116 | R | A | -1.0844 | |
| 117 | T | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | R | A | -2.6762 | |
| 120 | T | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | E | A | -3.1332 | |
| 123 | L | A | -2.2065 | |
| 124 | I | A | 0.0000 | |
| 125 | R | A | 0.0000 | |
| 126 | E | A | -2.6887 | |
| 127 | Q | A | -1.7100 | |
| 128 | L | A | 0.0000 | |
| 129 | P | A | 0.0000 | |
| 130 | D | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | K | A | -0.3398 | |
| 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 | -0.3990 | |
| 142 | L | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | D | A | -2.3402 | |
| 145 | A | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | D | A | -3.2344 | |
| 148 | R | A | -2.6481 | |
| 149 | L | A | 0.0000 | |
| 150 | L | A | -1.7859 | |
| 151 | D | A | -2.6157 | |
| 152 | V | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -0.3970 | |
| 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 | -0.8888 | |
| 165 | D | A | -2.0586 | |
| 166 | A | A | 0.0000 | |
| 167 | E | A | -3.2109 | |
| 168 | I | A | -1.3780 | |
| 169 | A | A | 0.0000 | |
| 170 | A | A | -2.2617 | |
| 171 | Q | A | -1.5366 | |
| 172 | I | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | A | A | -0.2633 | |
| 175 | W | A | -0.3508 | |
| 176 | L | A | 0.0000 | |
| 177 | W | A | -1.0016 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | -2.6822 | |
| 180 | G | A | -2.4294 | |
| 181 | E | A | -3.2221 | |
| 182 | R | A | -2.7023 | |
| 183 | Y | A | -1.6906 | |
| 184 | S | A | -1.5845 | |
| 185 | G | A | -2.3326 | |
| 186 | R | A | -3.9674 | |
| 187 | E | A | -3.4817 | |
| 188 | A | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | E | A | -3.1340 | |
| 191 | I | A | -1.2705 | |
| 192 | L | A | 0.0000 | |
| 193 | I | A | -0.6238 | |
| 194 | A | A | -0.6962 | |
| 195 | R | A | -1.2421 | |
| 196 | Q | A | 0.0000 | |
| 197 | L | A | -1.1046 | |
| 198 | E | A | -2.5047 | |
| 199 | G | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | R | A | -2.7770 | |
| 202 | R | A | -2.9724 | |
| 203 | L | A | 0.0000 | |
| 204 | T | A | -1.6369 | |
| 205 | A | A | -1.7722 | |
| 206 | K | A | -2.7162 | |
| 207 | G | A | -1.7460 | |
| 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 | -1.7950 | |
| 232 | L | A | 0.0000 | |
| 233 | R | A | -2.4177 | |
| 234 | A | A | -1.4600 | |
| 235 | S | A | 0.0000 | |
| 236 | G | A | -1.3619 | |
| 237 | A | A | 0.0000 | |
| 238 | F | A | -0.2879 | |
| 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 | -1.8782 | |
| 252 | G | A | -1.2660 | |
| 253 | T | A | 0.0000 | |
| 254 | H | A | -0.6855 | mutated: VH254A |
| 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 | -1.4379 | |
| 263 | P | A | -1.6070 | |
| 264 | D | A | -2.5085 | |
| 265 | A | A | -1.9363 | |
| 266 | E | A | -2.3352 | |
| 267 | T | A | -1.5947 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.0232 | |
| 270 | A | A | -0.8710 | |
| 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 | -1.1374 | |
| 287 | Q | A | -0.7061 | |
| 288 | C | A | 0.0000 | |
| 289 | R | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | D | A | 0.0000 | |
| 292 | A | A | -0.6933 | |
| 293 | I | A | 0.0000 | |
| 294 | G | A | -1.0235 | |
| 295 | M | A | -1.2925 | |
| 296 | L | A | -1.2874 | |
| 297 | G | A | -1.7300 | |
| 298 | E | A | -2.5596 | |
| 299 | D | A | -2.5829 | |
| 300 | I | A | -1.6218 | |
| 301 | S | A | -1.5569 | |
| 302 | Q | A | -2.3118 | |
| 303 | Q | A | -2.1005 | |
| 304 | F | A | 0.0000 | |
| 305 | T | A | -1.2581 | |
| 306 | Q | A | -1.4043 | |
| 307 | L | A | -0.3123 | |
| 308 | P | A | -0.5705 | |
| 309 | A | A | -0.7339 | |
| 310 | P | A | -1.3725 | |
| 311 | E | A | -1.9834 | |
| 312 | S | A | -1.1463 | |
| 313 | L | A | -0.8031 | |
| 314 | P | A | -0.5420 | |
| 315 | A | A | -0.2331 | |
| 316 | W | A | 0.0000 | |
| 317 | L | A | -0.3073 | |
| 318 | P | A | -0.6603 | |
| 319 | I | A | -0.5323 | |
| 320 | L | A | 0.0000 | |
| 321 | H | A | -1.0740 | |
| 322 | Q | A | -1.4869 | |
| 323 | R | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | Q | A | -1.1526 | |
| 326 | L | A | -0.5289 | |
| 327 | H | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | S | A | -1.2363 | |
| 330 | I | A | -0.8294 | |
| 331 | A | A | -0.9320 | |
| 332 | T | A | 0.0000 | |
| 333 | R | A | -2.3558 | |
| 334 | G | A | -2.0533 | |
| 335 | E | A | -2.4255 | |
| 336 | S | A | 0.0000 | |
| 337 | E | A | -2.9340 | |
| 338 | A | A | -2.1891 | |
| 339 | D | A | -2.8291 | |
| 340 | D | A | -2.4607 | |
| 341 | A | A | -1.7954 | |
| 342 | C | A | -1.1773 | |
| 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 | -1.3768 | |
| 350 | R | A | -2.2475 | |
| 351 | G | A | 0.0000 | |
| 352 | D | A | -1.1490 | |
| 353 | V | A | -0.7484 | |
| 354 | I | A | 0.0000 | |
| 355 | D | A | -0.7723 | |
| 356 | C | A | -1.0116 | |
| 357 | H | A | -1.4288 | |
| 358 | F | A | 0.0000 | |
| 359 | G | A | -1.1144 | |
| 360 | H | A | -1.6533 | |
| 361 | A | A | 0.0000 | |
| 362 | D | A | -1.9677 | |
| 363 | R | A | -1.4862 | |
| 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 | -0.5592 | |
| 372 | A | A | -0.6554 | |
| 373 | G | A | -0.2901 | |
| 374 | M | A | -0.1019 | |
| 375 | R | A | -0.3978 | mutated: VR375A |
| 376 | L | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | N | A | 0.0000 | |
| 379 | E | A | -0.3397 | |
| 380 | R | A | 0.0000 | |
| 381 | F | A | -1.0001 | |
| 382 | T | A | 0.0000 | |
| 383 | P | A | -1.5764 | |
| 384 | K | A | -2.4808 | |
| 385 | Y | A | -1.5438 | |
| 386 | C | A | 0.0000 | |
| 387 | Q | A | -2.4690 | |
| 388 | G | A | -2.2971 | |
| 389 | R | A | -2.8953 | |
| 390 | D | A | -3.1217 | |
| 391 | D | A | -3.2096 | |
| 392 | C | A | -2.2640 | |
| 393 | E | A | -1.9153 | |
| 394 | P | A | -1.7091 | |
| 395 | Q | A | -1.8409 | |
| 396 | D | A | -1.6388 | |
| 397 | N | A | -1.4063 | |
| 398 | A | A | -0.7899 | |
| 399 | A | A | -0.4423 | |
| 400 | R | A | 0.0000 | |
| 401 | F | A | -0.2973 | |
| 402 | A | A | -0.3402 | |
| 403 | A | A | -0.3867 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | -0.9659 | |
| 406 | E | A | -1.6884 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | A | A | -1.2396 | |
| 410 | D | A | -1.3810 | |
| 411 | V | A | 0.0000 | |
| 412 | K | A | -1.0752 | |
| 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 | -1.3535 | |
| 422 | T | A | -0.9468 | |
| 423 | P | A | -1.0205 | |
| 424 | W | A | 0.0000 | |
| 425 | Q | A | -2.7509 | |
| 426 | Q | A | -2.2209 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -2.5577 | |
| 429 | Q | A | -2.9269 | |
| 430 | E | A | -3.3483 | |
| 431 | G | A | -2.2373 | |
| 432 | I | A | 0.0000 | |
| 433 | E | A | -1.0698 | |
| 434 | P | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | V | A | -0.7994 | |
| 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 | -1.3526 | |
| 445 | E | A | -2.2296 | |
| 446 | V | A | -1.2444 | |
| 447 | L | A | 0.0000 | |
| 448 | P | A | -0.8880 | |
| 449 | A | A | -1.0776 | |
| 450 | W | A | 0.0000 | |
| 451 | W | A | -1.5522 | |
| 452 | Q | A | -2.3332 | |
| 453 | Q | A | -2.3476 | |
| 454 | R | A | -2.1728 | |
| 455 | R | A | -2.9347 | |
| 456 | G | A | -2.1544 | |
| 457 | S | A | -1.3591 | |
| 458 | W | A | -0.7244 | |
| 459 | P | A | -0.1491 | |
| 460 | A | A | -0.1633 | |
| 461 | A | A | -0.2785 | |
| 462 | L | A | -0.6764 | |
| 463 | P | A | -0.9775 | |
| 464 | H | A | -1.8920 | |
| 465 | K | A | -2.4173 | |
| 466 | G | A | -1.4916 | |
| 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