| Chain sequence(s) |
A: MALAAAATTFRPRLVVTAKADNTDTRRRHWKAGEFPFPTSSDTPRRSARTAERPPDKPRDEDGDSSRRTGRRHWKAGEFPGTQEDSRRPRRSPIKNVKKRLDARAEAKAWACTVTEALADRIDAKNWQEALQVFQMLKEQPFYHPKEGTFMKLLLLLGRSGQPSRARYLFDEMLQQGCQPTPELYTALIAAYCRNGLLDDAFRLLADMKASPVCQPDVYTYSTIIKACVDASRFDIVDAMYKDMADRSIAPNTVTQNIVLSGYGRAGRLDDMEKVLSAMLDSTTSKPDVWTMNIILSLFGNRGQIESMEKWYEKFRGYGIEPETRTLNILIGAYGKKRMYDKMSAVMEYMRKLAFPWTTATFNNVIEAFADAGDAKNMEHTFNQMRAEGMKPDTKTFCCLINGFGNAGLFHKVVGMVKLAERLGVPMDTTFHNAVLMTCVKAEDLMEMERVFMRMKQIQCIPDATTYSILVGAYRKEGMTDKIYVLQQENPTLVPTDLVHV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VQ15A,LV131A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.54991 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 (00:06:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:21)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:40)
[INFO] Main: Simulation completed successfully. (00:11:45)
|
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 | 1.4399 | |
| 2 | A | A | 1.4663 | |
| 3 | L | A | 1.8686 | |
| 4 | A | A | 0.8948 | |
| 5 | A | A | 0.4384 | |
| 6 | A | A | 0.2716 | |
| 7 | A | A | 0.2937 | |
| 8 | T | A | 0.2702 | |
| 9 | T | A | 0.3486 | |
| 10 | F | A | 0.7699 | |
| 11 | R | A | -1.3003 | |
| 12 | P | A | -1.1678 | |
| 13 | R | A | -1.5444 | |
| 14 | L | A | 0.2565 | |
| 15 | Q | A | -0.1221 | mutated: VQ15A |
| 16 | V | A | 1.1514 | |
| 17 | T | A | 0.2025 | |
| 18 | A | A | -0.6688 | |
| 19 | K | A | -2.0423 | |
| 20 | A | A | -1.9308 | |
| 21 | D | A | -3.0290 | |
| 22 | N | A | -2.7613 | |
| 23 | T | A | -2.2561 | |
| 24 | D | A | -3.1680 | |
| 25 | T | A | -2.8008 | |
| 26 | R | A | -3.9547 | |
| 27 | R | A | -4.1197 | |
| 28 | R | A | -3.7245 | |
| 29 | H | A | -2.8610 | |
| 30 | W | A | -1.7816 | |
| 31 | K | A | -2.3741 | |
| 32 | A | A | -1.5776 | |
| 33 | G | A | -1.1901 | |
| 34 | E | A | -1.2790 | |
| 35 | F | A | -0.2395 | |
| 36 | P | A | 0.3730 | |
| 37 | F | A | 1.3431 | |
| 38 | P | A | 0.2417 | |
| 39 | T | A | -0.6985 | |
| 40 | S | A | -0.6390 | |
| 41 | S | A | -1.2821 | |
| 42 | D | A | -2.2536 | |
| 43 | T | A | -1.7625 | |
| 44 | P | A | -2.1194 | |
| 45 | R | A | -3.1211 | |
| 46 | R | A | -2.8980 | |
| 47 | S | A | -2.0236 | |
| 48 | A | A | -1.5636 | |
| 49 | R | A | -1.8884 | |
| 50 | T | A | -1.3703 | |
| 51 | A | A | -1.7252 | |
| 52 | E | A | -2.7744 | |
| 53 | R | A | -3.0755 | |
| 54 | P | A | -2.0572 | |
| 55 | P | A | -2.2165 | |
| 56 | D | A | -3.0601 | |
| 57 | K | A | -3.1151 | |
| 58 | P | A | -2.7941 | |
| 59 | R | A | -3.8125 | |
| 60 | D | A | -4.0856 | |
| 61 | E | A | -4.2036 | |
| 62 | D | A | -3.8913 | |
| 63 | G | A | -2.6139 | |
| 64 | D | A | -2.5796 | |
| 65 | S | A | -1.6971 | |
| 66 | S | A | -2.0232 | |
| 67 | R | A | -2.9900 | |
| 68 | R | A | -3.1892 | |
| 69 | T | A | -2.2671 | |
| 70 | G | A | -2.7237 | |
| 71 | R | A | -3.2215 | |
| 72 | R | A | -3.2159 | |
| 73 | H | A | -2.1323 | |
| 74 | W | A | -1.2314 | |
| 75 | K | A | -1.9611 | |
| 76 | A | A | -0.7986 | |
| 77 | G | A | -0.6976 | |
| 78 | E | A | -0.6603 | |
| 79 | F | A | 0.8681 | |
| 80 | P | A | 0.0954 | |
| 81 | G | A | -0.6647 | |
| 82 | T | A | -1.2962 | |
| 83 | Q | A | -2.6851 | |
| 84 | E | A | -3.5804 | |
| 85 | D | A | -3.4606 | |
| 86 | S | A | -2.9322 | |
| 87 | R | A | -3.6419 | |
| 88 | R | A | -3.4845 | |
| 89 | P | A | -2.9082 | |
| 90 | R | A | -3.5763 | |
| 91 | R | A | -3.2852 | |
| 92 | S | A | -1.6495 | |
| 93 | P | A | -0.9668 | |
| 94 | I | A | -0.2080 | |
| 95 | K | A | -2.2101 | |
| 96 | N | A | -2.2811 | |
| 97 | V | A | -0.7131 | |
| 98 | K | A | -2.6801 | |
| 99 | K | A | -3.4423 | |
| 100 | R | A | -2.7662 | |
| 101 | L | A | -1.9586 | |
| 102 | D | A | -3.5141 | |
| 103 | A | A | -2.8689 | |
| 104 | R | A | -3.0877 | |
| 105 | A | A | -2.5213 | |
| 106 | E | A | -2.8938 | |
| 107 | A | A | -1.7850 | |
| 108 | K | A | -1.8171 | |
| 109 | A | A | -1.0902 | |
| 110 | W | A | -0.7776 | |
| 111 | A | A | -0.4783 | |
| 112 | C | A | -0.4844 | |
| 113 | T | A | -0.4550 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | -0.8532 | |
| 116 | E | A | -1.8906 | |
| 117 | A | A | -1.6821 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | -2.2517 | |
| 120 | D | A | -3.2141 | |
| 121 | R | A | -2.8926 | |
| 122 | I | A | -2.5478 | |
| 123 | D | A | -3.1427 | |
| 124 | A | A | -2.4340 | |
| 125 | K | A | -3.3048 | |
| 126 | N | A | -2.5109 | |
| 127 | W | A | -2.0776 | |
| 128 | Q | A | -2.1895 | |
| 129 | E | A | -2.3522 | |
| 130 | A | A | 0.0000 | |
| 131 | V | A | -1.1440 | mutated: LV131A |
| 132 | Q | A | -1.6340 | |
| 133 | V | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | Q | A | -1.2745 | |
| 136 | M | A | -0.7468 | |
| 137 | L | A | 0.0000 | |
| 138 | K | A | -1.4846 | |
| 139 | E | A | -2.0786 | |
| 140 | Q | A | -1.0862 | |
| 141 | P | A | -0.5695 | |
| 142 | F | A | -0.0013 | |
| 143 | Y | A | -0.5395 | |
| 144 | H | A | -1.5353 | |
| 145 | P | A | 0.0000 | |
| 146 | K | A | -1.7901 | |
| 147 | E | A | -1.9681 | |
| 148 | G | A | -1.3060 | |
| 149 | T | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | M | A | -1.0378 | |
| 152 | K | A | -1.2338 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | -0.3282 | |
| 156 | L | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | R | A | -2.5196 | |
| 160 | S | A | -1.8435 | |
| 161 | G | A | -1.5726 | |
| 162 | Q | A | -1.2640 | |
| 163 | P | A | -1.1958 | |
| 164 | S | A | -0.6921 | |
| 165 | R | A | -0.8532 | |
| 166 | A | A | 0.0000 | |
| 167 | R | A | -0.8571 | |
| 168 | Y | A | 0.2479 | |
| 169 | L | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | D | A | -1.0655 | |
| 172 | E | A | -1.0784 | |
| 173 | M | A | 0.0000 | |
| 174 | L | A | -0.9330 | |
| 175 | Q | A | -1.9983 | |
| 176 | Q | A | -2.0997 | |
| 177 | G | A | -1.4651 | |
| 178 | C | A | -1.6300 | |
| 179 | Q | A | -1.2626 | |
| 180 | P | A | -0.7390 | |
| 181 | T | A | -0.8843 | |
| 182 | P | A | -0.8548 | |
| 183 | E | A | -1.8074 | |
| 184 | L | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | T | A | -0.4203 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | C | A | -1.5116 | |
| 194 | R | A | -2.7280 | |
| 195 | N | A | -1.6568 | |
| 196 | G | A | -1.3885 | |
| 197 | L | A | -0.6610 | |
| 198 | L | A | -1.2149 | |
| 199 | D | A | -2.3258 | |
| 200 | D | A | -2.0453 | |
| 201 | A | A | 0.0000 | |
| 202 | F | A | -1.5714 | |
| 203 | R | A | -2.9666 | |
| 204 | L | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -1.7936 | |
| 207 | D | A | -2.4980 | |
| 208 | M | A | 0.0000 | |
| 209 | K | A | -1.6869 | |
| 210 | A | A | -0.8511 | |
| 211 | S | A | -0.3903 | |
| 212 | P | A | 0.3231 | |
| 213 | V | A | 1.2165 | |
| 214 | C | A | 0.0000 | |
| 215 | Q | A | -1.1160 | |
| 216 | P | A | 0.0000 | |
| 217 | D | A | -0.5826 | |
| 218 | V | A | 0.7927 | |
| 219 | Y | A | 1.1006 | |
| 220 | T | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | T | A | -0.1563 | |
| 224 | I | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | K | A | -1.8487 | |
| 227 | A | A | -1.7184 | |
| 228 | C | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | D | A | -2.7843 | |
| 231 | A | A | -1.5137 | |
| 232 | S | A | -1.8734 | |
| 233 | R | A | -2.3909 | |
| 234 | F | A | 0.0000 | |
| 235 | D | A | -2.5604 | |
| 236 | I | A | -1.6289 | |
| 237 | V | A | 0.0000 | |
| 238 | D | A | -2.6847 | |
| 239 | A | A | -1.6555 | |
| 240 | M | A | -1.3061 | |
| 241 | Y | A | -1.5684 | |
| 242 | K | A | -2.7969 | |
| 243 | D | A | -2.3098 | |
| 244 | M | A | 0.0000 | |
| 245 | A | A | -2.0022 | |
| 246 | D | A | -3.1603 | |
| 247 | R | A | -3.1891 | |
| 248 | S | A | -1.7385 | |
| 249 | I | A | -0.9250 | |
| 250 | A | A | -0.1743 | |
| 251 | P | A | 0.3178 | |
| 252 | N | A | 0.1344 | |
| 253 | T | A | 0.0843 | |
| 254 | V | A | 1.4474 | |
| 255 | T | A | 0.0000 | |
| 256 | Q | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | I | A | 0.0356 | |
| 259 | V | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | S | A | -0.7470 | |
| 262 | G | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | R | A | -2.3467 | |
| 266 | A | A | -1.4623 | |
| 267 | G | A | -1.5772 | |
| 268 | R | A | -2.0441 | |
| 269 | L | A | -1.7653 | |
| 270 | D | A | -2.7514 | |
| 271 | D | A | -2.1504 | |
| 272 | M | A | 0.0000 | |
| 273 | E | A | -2.2476 | |
| 274 | K | A | -2.4724 | |
| 275 | V | A | -1.3084 | |
| 276 | L | A | 0.0000 | |
| 277 | S | A | -1.3208 | |
| 278 | A | A | -1.3068 | |
| 279 | M | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | D | A | -2.0459 | |
| 282 | S | A | -1.2849 | |
| 283 | T | A | -0.8411 | |
| 284 | T | A | -0.7537 | |
| 285 | S | A | 0.0000 | |
| 286 | K | A | -1.8231 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -0.6274 | |
| 289 | V | A | -0.2980 | |
| 290 | W | A | 0.5976 | |
| 291 | T | A | 0.0000 | |
| 292 | M | A | 0.0000 | |
| 293 | N | A | -0.2277 | |
| 294 | I | A | 0.4834 | |
| 295 | I | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | S | A | -0.3917 | |
| 298 | L | A | -0.9187 | |
| 299 | F | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | N | A | -2.1586 | |
| 302 | R | A | -2.0103 | |
| 303 | G | A | 0.0000 | |
| 304 | Q | A | -1.9826 | |
| 305 | I | A | 0.0000 | |
| 306 | E | A | -2.6167 | |
| 307 | S | A | -2.0221 | |
| 308 | M | A | 0.0000 | |
| 309 | E | A | -2.1620 | |
| 310 | K | A | -3.1484 | |
| 311 | W | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | E | A | -3.0043 | |
| 314 | K | A | -2.1327 | |
| 315 | F | A | 0.0000 | |
| 316 | R | A | -1.8639 | |
| 317 | G | A | -1.2156 | |
| 318 | Y | A | -0.3705 | |
| 319 | G | A | -1.0089 | |
| 320 | I | A | -1.2698 | |
| 321 | E | A | -2.2284 | |
| 322 | P | A | 0.0000 | |
| 323 | E | A | -2.4377 | |
| 324 | T | A | -1.6035 | |
| 325 | R | A | -2.1715 | |
| 326 | T | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | I | A | -0.4494 | |
| 330 | L | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | G | A | -1.2638 | |
| 333 | A | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | K | A | -3.3252 | |
| 337 | K | A | -2.9319 | |
| 338 | R | A | -3.1048 | |
| 339 | M | A | -1.7075 | |
| 340 | Y | A | -1.3559 | |
| 341 | D | A | -1.9207 | |
| 342 | K | A | -0.9964 | |
| 343 | M | A | 0.0000 | |
| 344 | S | A | -1.0653 | |
| 345 | A | A | -1.0474 | |
| 346 | V | A | 0.0000 | |
| 347 | M | A | -1.5967 | |
| 348 | E | A | -2.6361 | |
| 349 | Y | A | 0.0000 | |
| 350 | M | A | 0.0000 | |
| 351 | R | A | -2.8056 | |
| 352 | K | A | -2.3839 | |
| 353 | L | A | -0.6386 | |
| 354 | A | A | -0.6634 | |
| 355 | F | A | -0.4630 | |
| 356 | P | A | -0.3798 | |
| 357 | W | A | -0.5671 | |
| 358 | T | A | -0.4264 | |
| 359 | T | A | -0.6786 | |
| 360 | A | A | -0.5591 | |
| 361 | T | A | 0.0000 | |
| 362 | F | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | N | A | -1.0772 | |
| 365 | V | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | -2.2857 | |
| 368 | A | A | 0.0000 | |
| 369 | F | A | -1.7664 | |
| 370 | A | A | 0.0000 | |
| 371 | D | A | -3.0907 | |
| 372 | A | A | -1.8877 | |
| 373 | G | A | -1.6495 | |
| 374 | D | A | -1.6679 | |
| 375 | A | A | -1.7369 | |
| 376 | K | A | -2.4359 | |
| 377 | N | A | -1.9138 | |
| 378 | M | A | 0.0000 | |
| 379 | E | A | -1.9628 | |
| 380 | H | A | -2.2495 | |
| 381 | T | A | 0.0000 | |
| 382 | F | A | 0.0000 | |
| 383 | N | A | -2.2644 | |
| 384 | Q | A | -2.0595 | |
| 385 | M | A | 0.0000 | |
| 386 | R | A | -2.3910 | |
| 387 | A | A | -1.7510 | |
| 388 | E | A | -2.5930 | |
| 389 | G | A | -1.9728 | |
| 390 | M | A | -1.7904 | |
| 391 | K | A | -2.2904 | |
| 392 | P | A | 0.0000 | |
| 393 | D | A | -1.6894 | |
| 394 | T | A | -1.2878 | |
| 395 | K | A | -1.7516 | |
| 396 | T | A | 0.0000 | |
| 397 | F | A | 0.0000 | |
| 398 | C | A | 0.0000 | |
| 399 | C | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | I | A | 0.0000 | |
| 402 | N | A | -1.2293 | |
| 403 | G | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | G | A | -0.9300 | |
| 406 | N | A | -1.6278 | |
| 407 | A | A | -1.0346 | |
| 408 | G | A | -0.8605 | |
| 409 | L | A | -0.0982 | |
| 410 | F | A | -0.4063 | |
| 411 | H | A | -0.7047 | |
| 412 | K | A | -0.6462 | |
| 413 | V | A | 0.0000 | |
| 414 | V | A | 0.3628 | |
| 415 | G | A | -0.4626 | |
| 416 | M | A | -0.7319 | |
| 417 | V | A | 0.0000 | |
| 418 | K | A | -2.2581 | |
| 419 | L | A | -1.5387 | |
| 420 | A | A | 0.0000 | |
| 421 | E | A | -3.1622 | |
| 422 | R | A | -2.9391 | |
| 423 | L | A | -1.7282 | |
| 424 | G | A | -1.5613 | |
| 425 | V | A | 0.0000 | |
| 426 | P | A | -1.1065 | |
| 427 | M | A | -0.7702 | |
| 428 | D | A | -0.6928 | |
| 429 | T | A | -0.2286 | |
| 430 | T | A | -0.7075 | |
| 431 | F | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | N | A | -0.3691 | |
| 434 | A | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | M | A | -0.2270 | |
| 438 | T | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | V | A | -1.1899 | |
| 441 | K | A | -1.9620 | |
| 442 | A | A | -1.6450 | |
| 443 | E | A | -2.6775 | |
| 444 | D | A | -1.4162 | |
| 445 | L | A | -0.9245 | |
| 446 | M | A | -0.1678 | |
| 447 | E | A | -1.0189 | |
| 448 | M | A | 0.0000 | |
| 449 | E | A | -0.9081 | |
| 450 | R | A | -1.7459 | |
| 451 | V | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | M | A | -0.5869 | |
| 454 | R | A | -1.0800 | |
| 455 | M | A | 0.0000 | |
| 456 | K | A | -0.5570 | |
| 457 | Q | A | -1.1048 | |
| 458 | I | A | 0.3419 | |
| 459 | Q | A | -0.5788 | |
| 460 | C | A | 0.1745 | |
| 461 | I | A | 1.4534 | |
| 462 | P | A | 0.1945 | |
| 463 | D | A | -0.2453 | |
| 464 | A | A | -0.3150 | |
| 465 | T | A | -0.2853 | |
| 466 | T | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | S | A | -0.1790 | |
| 469 | I | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | G | A | -1.1076 | |
| 473 | A | A | 0.0000 | |
| 474 | Y | A | 0.0000 | |
| 475 | R | A | -2.5902 | |
| 476 | K | A | -3.3814 | |
| 477 | E | A | -3.3390 | |
| 478 | G | A | -2.4727 | |
| 479 | M | A | -1.7984 | |
| 480 | T | A | -1.4149 | |
| 481 | D | A | -1.4637 | |
| 482 | K | A | -0.9137 | |
| 483 | I | A | 0.0000 | |
| 484 | Y | A | 0.6245 | |
| 485 | V | A | 0.7244 | |
| 486 | L | A | 0.0000 | |
| 487 | Q | A | -0.5698 | |
| 488 | Q | A | -1.2238 | |
| 489 | E | A | -1.4026 | |
| 490 | N | A | -1.1922 | |
| 491 | P | A | -0.8032 | |
| 492 | T | A | -0.4835 | |
| 493 | L | A | -0.2536 | |
| 494 | V | A | 0.0000 | |
| 495 | P | A | -0.7998 | |
| 496 | T | A | -0.7627 | |
| 497 | D | A | -1.5858 | |
| 498 | L | A | -0.4074 | |
| 499 | V | A | -0.4179 | |
| 500 | H | A | -0.5125 | |
| 501 | V | A | 0.9511 |