| Chain sequence(s) |
A: AESTLGAAAAQSGRYFGTAIASGKLGDSAYTTIASREFNMVTAENEMKIDATEPQRGQFNFTAGDRIYNWAVQNGKQVRGHTLAWHSQQPGWMQSLSGSTLRQAMINHINGVMGHYKGKIYQWDVVNEAFADGSSGARRDSNLQRTGNDWIEVAFRTARAADPAAKLCYNDYNIENWTWAKTQAMYNMVRDFKQRGVPIDCVGFQAHFNSGSPYPSNFRTTLQNFAALGVDVAITELDIQGAPASTYANVVNDCLAVPRCLGITVWGVRDTDSWRSGDTPLLFNGDGSKKAAYTAVLNALNGGSTTPPPAGGGSIKGVGSGRCLDVPNSSTTDGTQLQLWDCSGGTNQQWTYTAAGELRVYGDKCLDAGGTGNGARVQIYSCSGADNQKWRLNSDGSIVGVQSGLCLDAVGSGTANGTLIQLYSCSGGSNQRWTRT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VS318A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.11364 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 (00:01:16)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:22)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:37)
[INFO] Main: Simulation completed successfully. (00:02:39)
|
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 | A | A | -0.8870 | |
| 2 | E | A | -1.3435 | |
| 3 | S | A | -0.9250 | |
| 4 | T | A | -0.7933 | |
| 5 | L | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | A | A | -0.9631 | |
| 8 | A | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | A | A | -1.0291 | |
| 11 | Q | A | -1.6831 | |
| 12 | S | A | -1.0413 | |
| 13 | G | A | -0.9659 | |
| 14 | R | A | -0.7599 | |
| 15 | Y | A | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | G | A | 0.0000 | |
| 18 | T | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | I | A | 0.0000 | |
| 21 | A | A | -0.7647 | |
| 22 | S | A | -1.0496 | |
| 23 | G | A | -1.0896 | |
| 24 | K | A | -1.1232 | |
| 25 | L | A | -0.8519 | |
| 26 | G | A | -1.0221 | |
| 27 | D | A | -1.2075 | |
| 28 | S | A | -0.6846 | |
| 29 | A | A | -0.6798 | |
| 30 | Y | A | 0.0000 | |
| 31 | T | A | -0.6287 | |
| 32 | T | A | -0.6218 | |
| 33 | I | A | -0.5527 | |
| 34 | A | A | 0.0000 | |
| 35 | S | A | -1.2886 | |
| 36 | R | A | -1.9649 | |
| 37 | E | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | N | A | -0.9105 | |
| 40 | M | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | E | A | -0.5102 | |
| 45 | N | A | -1.1714 | |
| 46 | E | A | -1.1807 | |
| 47 | M | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | D | A | -2.3231 | |
| 51 | A | A | -1.1983 | |
| 52 | T | A | 0.0000 | |
| 53 | E | A | 0.0000 | |
| 54 | P | A | -1.9833 | |
| 55 | Q | A | -2.8413 | |
| 56 | R | A | -3.1750 | |
| 57 | G | A | -2.2710 | |
| 58 | Q | A | -2.1097 | |
| 59 | F | A | -1.0959 | |
| 60 | N | A | -0.9931 | |
| 61 | F | A | -0.4525 | |
| 62 | T | A | -0.7276 | |
| 63 | A | A | -1.0516 | |
| 64 | G | A | 0.0000 | |
| 65 | D | A | -1.7246 | |
| 66 | R | A | -2.3793 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | -1.3083 | |
| 69 | N | A | -1.8172 | |
| 70 | W | A | -1.1534 | |
| 71 | A | A | 0.0000 | |
| 72 | V | A | -0.4948 | |
| 73 | Q | A | -1.2951 | |
| 74 | N | A | -1.4360 | |
| 75 | G | A | -1.0382 | |
| 76 | K | A | 0.0000 | |
| 77 | Q | A | -0.9354 | |
| 78 | V | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | H | A | 0.0000 | |
| 82 | T | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | W | A | 0.0000 | |
| 86 | H | A | -1.0770 | |
| 87 | S | A | -0.9194 | |
| 88 | Q | A | -1.5251 | |
| 89 | Q | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | G | A | -1.5618 | |
| 92 | W | A | -1.3380 | |
| 93 | M | A | 0.0000 | |
| 94 | Q | A | -1.5932 | |
| 95 | S | A | -0.8422 | |
| 96 | L | A | -0.5549 | |
| 97 | S | A | -1.1349 | |
| 98 | G | A | -1.0854 | |
| 99 | S | A | -0.9617 | |
| 100 | T | A | -0.7078 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -1.1999 | |
| 103 | Q | A | -1.5442 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | I | A | -0.8978 | |
| 107 | N | A | -1.7624 | |
| 108 | H | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | N | A | -1.4900 | |
| 111 | G | A | -1.1857 | |
| 112 | V | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | G | A | -1.4792 | |
| 115 | H | A | -1.3080 | |
| 116 | Y | A | 0.0000 | |
| 117 | K | A | -2.5908 | |
| 118 | G | A | -1.8564 | |
| 119 | K | A | -1.7929 | |
| 120 | I | A | 0.0000 | |
| 121 | Y | A | -0.3018 | |
| 122 | Q | A | 0.0000 | |
| 123 | W | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | N | A | 0.0000 | |
| 128 | E | A | -0.4960 | |
| 129 | A | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | A | A | -1.5672 | |
| 132 | D | A | -1.9217 | |
| 133 | G | A | -1.3363 | |
| 134 | S | A | -0.7952 | |
| 135 | S | A | -0.7457 | |
| 136 | G | A | -0.7394 | |
| 137 | A | A | -0.9339 | |
| 138 | R | A | -1.4899 | |
| 139 | R | A | -1.9668 | |
| 140 | D | A | -2.5689 | |
| 141 | S | A | -1.9699 | |
| 142 | N | A | -1.8194 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | -2.5376 | |
| 145 | R | A | -2.8548 | |
| 146 | T | A | -1.8146 | |
| 147 | G | A | -2.0399 | |
| 148 | N | A | -2.5499 | |
| 149 | D | A | -2.2197 | |
| 150 | W | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | E | A | -1.2223 | |
| 153 | V | A | -0.9268 | |
| 154 | A | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | R | A | -1.9142 | |
| 157 | T | A | -1.1293 | |
| 158 | A | A | 0.0000 | |
| 159 | R | A | -1.1876 | |
| 160 | A | A | -0.8242 | |
| 161 | A | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | P | A | -0.7386 | |
| 164 | A | A | -0.7408 | |
| 165 | A | A | 0.0000 | |
| 166 | K | A | -0.4782 | |
| 167 | L | A | 0.0000 | |
| 168 | C | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | N | A | 0.0000 | |
| 171 | D | A | 0.0000 | |
| 172 | Y | A | -0.1446 | |
| 173 | N | A | -0.4759 | |
| 174 | I | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | N | A | -0.2853 | |
| 177 | W | A | -0.1281 | |
| 178 | T | A | 0.0607 | |
| 179 | W | A | -0.0867 | |
| 180 | A | A | -0.4015 | |
| 181 | K | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | Q | A | -0.4038 | |
| 184 | A | A | -0.5226 | |
| 185 | M | A | 0.0000 | |
| 186 | Y | A | -0.6671 | |
| 187 | N | A | -1.3584 | |
| 188 | M | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | R | A | -2.1770 | |
| 191 | D | A | -2.3869 | |
| 192 | F | A | 0.0000 | |
| 193 | K | A | -2.5134 | |
| 194 | Q | A | -2.8807 | |
| 195 | R | A | -3.0294 | |
| 196 | G | A | -2.2587 | |
| 197 | V | A | 0.0000 | |
| 198 | P | A | -1.2426 | |
| 199 | I | A | 0.0000 | |
| 200 | D | A | -0.6658 | |
| 201 | C | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | Q | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | H | A | -0.4856 | |
| 208 | F | A | 0.0000 | |
| 209 | N | A | -1.1797 | |
| 210 | S | A | -0.9069 | |
| 211 | G | A | -0.8041 | |
| 212 | S | A | -0.6569 | |
| 213 | P | A | -0.7153 | |
| 214 | Y | A | -0.3378 | |
| 215 | P | A | -0.3437 | |
| 216 | S | A | -0.6263 | |
| 217 | N | A | -0.7524 | |
| 218 | F | A | 0.0000 | |
| 219 | R | A | -1.4045 | |
| 220 | T | A | -0.9327 | |
| 221 | T | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | -1.2593 | |
| 224 | N | A | -0.7222 | |
| 225 | F | A | 0.0000 | |
| 226 | A | A | -0.7062 | |
| 227 | A | A | -0.4806 | |
| 228 | L | A | -0.6158 | |
| 229 | G | A | -0.7438 | |
| 230 | V | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | E | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | Q | A | -1.3970 | |
| 241 | G | A | -0.9636 | |
| 242 | A | A | 0.0000 | |
| 243 | P | A | -0.3073 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -0.3868 | |
| 246 | T | A | -0.3355 | |
| 247 | Y | A | 0.0000 | |
| 248 | A | A | -0.5075 | |
| 249 | N | A | -0.8809 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | N | A | -0.5032 | |
| 253 | D | A | 0.0000 | |
| 254 | C | A | 0.0000 | |
| 255 | L | A | -0.1484 | |
| 256 | A | A | -0.3093 | |
| 257 | V | A | 0.0000 | |
| 258 | P | A | -0.8455 | |
| 259 | R | A | -1.2911 | |
| 260 | C | A | 0.0000 | |
| 261 | L | A | -0.2793 | |
| 262 | G | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | W | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | R | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | T | A | -0.7447 | |
| 272 | D | A | -0.4129 | |
| 273 | S | A | 0.0000 | |
| 274 | W | A | 0.2381 | |
| 275 | R | A | -1.3688 | |
| 276 | S | A | -1.0344 | |
| 277 | G | A | -1.1014 | |
| 278 | D | A | -1.2378 | |
| 279 | T | A | -1.0309 | |
| 280 | P | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | N | A | -1.2876 | |
| 285 | G | A | -1.4360 | |
| 286 | D | A | -2.2088 | |
| 287 | G | A | -1.2413 | |
| 288 | S | A | -1.2430 | |
| 289 | K | A | -1.0588 | |
| 290 | K | A | -0.7117 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | A | A | -0.3020 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | -0.3983 | |
| 298 | N | A | -0.7530 | |
| 299 | A | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | N | A | -1.1851 | |
| 302 | G | A | -0.9414 | |
| 303 | G | A | -0.7538 | |
| 304 | S | A | -0.6436 | |
| 305 | T | A | -0.6147 | |
| 306 | T | A | -0.4939 | |
| 307 | P | A | -0.5655 | |
| 308 | P | A | -0.5984 | |
| 309 | P | A | -0.5617 | |
| 310 | A | A | -0.3287 | |
| 311 | G | A | -0.5562 | |
| 312 | G | A | -0.8572 | |
| 313 | G | A | 0.0000 | |
| 314 | S | A | -0.8085 | |
| 315 | I | A | 0.0000 | |
| 316 | K | A | -1.2982 | |
| 317 | G | A | 0.0000 | |
| 318 | S | A | -1.1299 | mutated: VS318A |
| 319 | G | A | -1.0279 | |
| 320 | S | A | -0.9896 | |
| 321 | G | A | -0.8851 | |
| 322 | R | A | -1.1245 | |
| 323 | C | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | D | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | P | A | -0.6706 | |
| 328 | N | A | -1.4063 | |
| 329 | S | A | -0.8477 | |
| 330 | S | A | -0.7418 | |
| 331 | T | A | -0.6251 | |
| 332 | T | A | -0.4963 | |
| 333 | D | A | -0.7232 | |
| 334 | G | A | -0.7471 | |
| 335 | T | A | -0.7090 | |
| 336 | Q | A | -0.6867 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | W | A | -0.4315 | |
| 341 | D | A | -1.3943 | |
| 342 | C | A | -0.5956 | |
| 343 | S | A | -0.6900 | |
| 344 | G | A | -0.8918 | |
| 345 | G | A | -0.6240 | |
| 346 | T | A | -0.5978 | |
| 347 | N | A | -0.7246 | |
| 348 | Q | A | 0.0000 | |
| 349 | Q | A | -1.0757 | |
| 350 | W | A | 0.0000 | |
| 351 | T | A | -0.4665 | |
| 352 | Y | A | -0.1292 | |
| 353 | T | A | -0.0634 | |
| 354 | A | A | -0.0511 | |
| 355 | A | A | -0.2065 | |
| 356 | G | A | 0.0000 | |
| 357 | E | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | R | A | -0.9082 | |
| 360 | V | A | 0.0000 | |
| 361 | Y | A | -0.7053 | |
| 362 | G | A | -1.3954 | |
| 363 | D | A | -1.9912 | |
| 364 | K | A | -1.1282 | |
| 365 | C | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | D | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | G | A | -1.2052 | |
| 370 | G | A | -1.2858 | |
| 371 | T | A | -1.0730 | |
| 372 | G | A | -1.2832 | |
| 373 | N | A | -1.5484 | |
| 374 | G | A | -1.4094 | |
| 375 | A | A | -1.5826 | |
| 376 | R | A | -2.0193 | |
| 377 | V | A | 0.0000 | |
| 378 | Q | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | Y | A | -0.0798 | |
| 381 | S | A | -0.6047 | |
| 382 | C | A | -0.5776 | |
| 383 | S | A | -0.4963 | |
| 384 | G | A | -0.5067 | |
| 385 | A | A | -0.6148 | |
| 386 | D | A | -1.0822 | |
| 387 | N | A | -1.1596 | |
| 388 | Q | A | 0.0000 | |
| 389 | K | A | -0.8029 | |
| 390 | W | A | 0.0000 | |
| 391 | R | A | -0.3215 | |
| 392 | L | A | -0.2782 | |
| 393 | N | A | -1.0972 | |
| 394 | S | A | -1.4235 | |
| 395 | D | A | -2.2790 | |
| 396 | G | A | -1.6911 | |
| 397 | S | A | 0.0000 | |
| 398 | I | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | Q | A | -1.4949 | |
| 403 | S | A | -0.8432 | |
| 404 | G | A | -0.4426 | |
| 405 | L | A | -0.0772 | |
| 406 | C | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | V | A | 0.1681 | |
| 411 | G | A | -0.3283 | |
| 412 | S | A | -0.4357 | |
| 413 | G | A | -0.3206 | |
| 414 | T | A | -0.3683 | |
| 415 | A | A | -0.4437 | |
| 416 | N | A | -0.7179 | |
| 417 | G | A | -0.3235 | |
| 418 | T | A | 0.0760 | |
| 419 | L | A | 0.2903 | |
| 420 | I | A | 0.0000 | |
| 421 | Q | A | -0.8776 | |
| 422 | L | A | 0.0000 | |
| 423 | Y | A | 0.0202 | |
| 424 | S | A | 0.0484 | |
| 425 | C | A | 0.2689 | |
| 426 | S | A | -0.2394 | |
| 427 | G | A | -1.0614 | |
| 428 | G | A | -0.8132 | |
| 429 | S | A | -1.0598 | |
| 430 | N | A | -0.9603 | |
| 431 | Q | A | 0.0000 | |
| 432 | R | A | -1.8940 | |
| 433 | W | A | 0.0000 | |
| 434 | T | A | -1.0062 | |
| 435 | R | A | -0.7419 | |
| 436 | T | A | -0.5909 |
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