| Chain sequence(s) |
A: AESTLGAAAAQSGRYFGTAIASGKLGDSAYTTIASREFDSVTAENEMKIDATQPQRGQFNFTAGDRVYNWAVQNGKQVRGHTLAWHSQQPGWMQSLSGSTLRQAMIDHINGVMGHYKGKITQWDVVNEAFADGSSGARRDSNLQRTGNDWIEVAFRTARAADPAAKLCYNDYNVENWTWAKTQAMYTMVKDFKQRGVPIDCVGFQAHFNSGSPYNSNFRTTLQNFAALGVDVAVTELDIQGAPASTYAAVTNDCLAVPRCLGITVWGVRDTDSWRSGDTPLLFNGDGSKKAAYTAVLDALNGGSTTPPPAGGGSIKGVGSGRCLDVPNSSTTDGTQLQLWDCSGGTNQQWSYTAAGELRVYGDKCLDAGGTGNGARVQIYSCWGADNQKWRLNSDGSIVGVQSGLCLDAVGSGSANGTLIQLYSCSDGSNQRWTRT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | WW274A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.47793e-12 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 (00:01:27)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:31)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:53)
[INFO] Main: Simulation completed successfully. (00:02:56)
|
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 | -0.8837 | |
| 2 | E | A | -1.3284 | |
| 3 | S | A | -0.9286 | |
| 4 | T | A | -0.7896 | |
| 5 | L | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | A | A | -0.9644 | |
| 8 | A | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | A | A | -1.0303 | |
| 11 | Q | A | -1.6658 | |
| 12 | S | A | -1.0230 | |
| 13 | G | A | -0.9508 | |
| 14 | R | A | -0.7158 | |
| 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 | -0.7078 | |
| 22 | S | A | -0.9357 | |
| 23 | G | A | -1.0627 | |
| 24 | K | A | -1.2221 | |
| 25 | L | A | -0.9172 | |
| 26 | G | A | -1.0810 | |
| 27 | D | A | -1.2308 | |
| 28 | S | A | -0.7009 | |
| 29 | A | A | -0.6939 | |
| 30 | Y | A | 0.0000 | |
| 31 | T | A | -0.7146 | |
| 32 | T | A | -0.6347 | |
| 33 | I | A | -0.5605 | |
| 34 | A | A | 0.0000 | |
| 35 | S | A | -1.3186 | |
| 36 | R | A | -1.9902 | |
| 37 | E | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | D | A | -0.9121 | |
| 40 | S | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | E | A | -0.4476 | |
| 45 | N | A | -1.0271 | |
| 46 | E | A | 0.0000 | |
| 47 | M | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | D | A | -2.2733 | |
| 51 | A | A | -1.1290 | |
| 52 | T | A | 0.0000 | |
| 53 | Q | A | 0.0000 | |
| 54 | P | A | -2.0392 | |
| 55 | Q | A | -2.9114 | |
| 56 | R | A | -3.2758 | |
| 57 | G | A | -2.4370 | |
| 58 | Q | A | -2.2975 | |
| 59 | F | A | -1.1510 | |
| 60 | N | A | -1.0619 | |
| 61 | F | A | -0.3867 | |
| 62 | T | A | -0.5900 | |
| 63 | A | A | -0.8238 | |
| 64 | G | A | 0.0000 | |
| 65 | D | A | -1.4836 | |
| 66 | R | A | -1.8231 | |
| 67 | V | A | 0.0000 | |
| 68 | Y | A | -1.0164 | |
| 69 | N | A | -1.5629 | |
| 70 | W | A | -0.9944 | |
| 71 | A | A | 0.0000 | |
| 72 | V | A | -0.3528 | |
| 73 | Q | A | -1.2798 | |
| 74 | N | A | -1.3955 | |
| 75 | G | A | -0.9560 | |
| 76 | K | A | 0.0000 | |
| 77 | Q | A | -0.5033 | |
| 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 | -1.0665 | |
| 87 | S | A | -0.9034 | |
| 88 | Q | A | -1.4751 | |
| 89 | Q | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | G | A | -1.5502 | |
| 92 | W | A | -1.3247 | |
| 93 | M | A | 0.0000 | |
| 94 | Q | A | -1.5702 | |
| 95 | S | A | -0.8298 | |
| 96 | L | A | -0.5465 | |
| 97 | S | A | -1.1183 | |
| 98 | G | A | -1.0779 | |
| 99 | S | A | -0.9598 | |
| 100 | T | A | -0.7001 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -1.2719 | |
| 103 | Q | A | -1.6362 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | I | A | -1.1355 | |
| 107 | D | A | -2.2103 | |
| 108 | H | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | N | A | -1.6277 | |
| 111 | G | A | -1.3089 | |
| 112 | V | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | G | A | -1.4380 | |
| 115 | H | A | -1.3005 | |
| 116 | Y | A | 0.0000 | |
| 117 | K | A | -2.4181 | |
| 118 | G | A | -1.8207 | |
| 119 | K | A | -1.7101 | |
| 120 | I | A | 0.0000 | |
| 121 | T | A | -0.5715 | |
| 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 | -0.5129 | |
| 129 | A | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | A | A | -1.5709 | |
| 132 | D | A | -1.9624 | |
| 133 | G | A | -1.3652 | |
| 134 | S | A | -0.8111 | |
| 135 | S | A | -0.7515 | |
| 136 | G | A | -0.7617 | |
| 137 | A | A | -0.9177 | |
| 138 | R | A | -1.4432 | |
| 139 | R | A | -1.9397 | |
| 140 | D | A | -2.5406 | |
| 141 | S | A | -1.9240 | |
| 142 | N | A | -1.7506 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | -2.4985 | |
| 145 | R | A | -2.8407 | |
| 146 | T | A | -1.7940 | |
| 147 | G | A | -2.0142 | |
| 148 | N | A | -2.5056 | |
| 149 | D | A | -2.1274 | |
| 150 | W | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | E | A | -1.2434 | |
| 153 | V | A | -0.9945 | |
| 154 | A | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | R | A | -1.9525 | |
| 157 | T | A | -1.2157 | |
| 158 | A | A | 0.0000 | |
| 159 | R | A | -1.2172 | |
| 160 | A | A | -0.8188 | |
| 161 | A | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | P | A | -0.7385 | |
| 164 | A | A | -0.8046 | |
| 165 | A | A | 0.0000 | |
| 166 | K | A | -0.7642 | |
| 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 | -0.1787 | |
| 173 | N | A | -0.5337 | |
| 174 | V | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | N | A | -0.4863 | |
| 177 | W | A | -0.2437 | |
| 178 | T | A | -0.0267 | |
| 179 | W | A | -0.1313 | |
| 180 | A | A | -0.4484 | |
| 181 | K | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | Q | A | -0.3122 | |
| 184 | A | A | -0.4040 | |
| 185 | M | A | 0.0000 | |
| 186 | Y | A | -0.6073 | |
| 187 | T | A | -0.9199 | |
| 188 | M | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | K | A | -2.8249 | |
| 191 | D | A | -2.7281 | |
| 192 | F | A | 0.0000 | |
| 193 | K | A | -2.7194 | |
| 194 | Q | A | -3.1048 | |
| 195 | R | A | -3.0599 | |
| 196 | G | A | -2.3033 | |
| 197 | V | A | 0.0000 | |
| 198 | P | A | -1.2513 | |
| 199 | I | A | 0.0000 | |
| 200 | D | A | -0.7225 | |
| 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 | -0.3663 | |
| 208 | F | A | 0.0000 | |
| 209 | N | A | -0.9573 | |
| 210 | S | A | -0.8026 | |
| 211 | G | A | -0.7218 | |
| 212 | S | A | -0.6604 | |
| 213 | P | A | -0.7823 | |
| 214 | Y | A | -0.5488 | |
| 215 | N | A | -1.0263 | |
| 216 | S | A | -0.9014 | |
| 217 | N | A | -0.9928 | |
| 218 | F | A | 0.0000 | |
| 219 | R | A | -1.5121 | |
| 220 | T | A | -1.0554 | |
| 221 | T | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | -1.3355 | |
| 224 | N | A | -0.7671 | |
| 225 | F | A | 0.0000 | |
| 226 | A | A | -0.6874 | |
| 227 | A | A | -0.5725 | |
| 228 | L | A | -0.9046 | |
| 229 | G | A | -0.7649 | |
| 230 | V | A | 0.0000 | |
| 231 | D | A | -0.7207 | |
| 232 | V | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | V | 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 | -1.2892 | |
| 241 | G | A | -0.9621 | |
| 242 | A | A | 0.0000 | |
| 243 | P | A | -0.3490 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -0.2785 | |
| 246 | T | A | -0.2334 | |
| 247 | Y | A | 0.0000 | |
| 248 | A | A | -0.2357 | |
| 249 | A | A | -0.3502 | |
| 250 | V | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | N | A | -0.3095 | |
| 253 | D | A | 0.0000 | |
| 254 | C | A | 0.0000 | |
| 255 | L | A | -0.0698 | |
| 256 | A | A | -0.3185 | |
| 257 | V | A | 0.0000 | |
| 258 | P | A | -0.7211 | |
| 259 | R | A | -1.0197 | |
| 260 | C | A | 0.0000 | |
| 261 | L | A | -0.1589 | |
| 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 | -0.6545 | |
| 272 | D | A | -0.3583 | |
| 273 | S | A | 0.0000 | |
| 274 | W | A | 0.5792 | mutated: WW274A |
| 275 | R | A | -0.6428 | |
| 276 | S | A | -0.6836 | |
| 277 | G | A | -0.8640 | |
| 278 | D | A | -0.9980 | |
| 279 | T | A | -0.7879 | |
| 280 | P | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | N | A | -1.2922 | |
| 285 | G | A | -1.4509 | |
| 286 | D | A | -2.2089 | |
| 287 | G | A | -1.3159 | |
| 288 | S | A | -1.2870 | |
| 289 | K | A | -1.1100 | |
| 290 | K | A | -0.7195 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | A | A | -0.2789 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | -0.4592 | |
| 298 | D | A | -0.9484 | |
| 299 | A | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | N | A | -1.2075 | |
| 302 | G | A | -0.9626 | |
| 303 | G | A | -0.7611 | |
| 304 | S | A | -0.6623 | |
| 305 | T | A | -0.5138 | |
| 306 | T | A | -0.4175 | |
| 307 | P | A | -0.5467 | |
| 308 | P | A | -0.6526 | |
| 309 | P | A | -0.5969 | |
| 310 | A | A | -0.3337 | |
| 311 | G | A | -0.5808 | |
| 312 | G | A | -0.8857 | |
| 313 | G | A | -0.8758 | |
| 314 | S | A | -0.8328 | |
| 315 | I | A | 0.0000 | |
| 316 | K | A | -0.7823 | |
| 317 | G | A | 0.0000 | |
| 318 | V | A | 0.4323 | |
| 319 | G | A | -0.3345 | |
| 320 | S | A | -0.5425 | |
| 321 | G | A | -0.3731 | |
| 322 | R | A | -0.7964 | |
| 323 | C | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | D | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | P | A | -0.7090 | |
| 328 | N | A | -1.4399 | |
| 329 | S | A | -0.9212 | |
| 330 | S | A | -0.7858 | |
| 331 | T | A | -0.6811 | |
| 332 | T | A | -0.5594 | |
| 333 | D | A | -0.8174 | |
| 334 | G | A | -0.8388 | |
| 335 | T | A | -0.7842 | |
| 336 | Q | A | -0.6886 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | 0.0977 | |
| 339 | L | A | 0.0000 | |
| 340 | W | A | -0.3582 | |
| 341 | D | A | -1.2292 | |
| 342 | C | A | -0.5057 | |
| 343 | S | A | -0.6565 | |
| 344 | G | A | -0.8889 | |
| 345 | G | A | -0.6539 | |
| 346 | T | A | -0.6297 | |
| 347 | N | A | -0.7711 | |
| 348 | Q | A | 0.0000 | |
| 349 | Q | A | -1.2287 | |
| 350 | W | A | 0.0000 | |
| 351 | S | A | -0.5643 | |
| 352 | Y | A | -0.0946 | |
| 353 | T | A | -0.1125 | |
| 354 | A | A | -0.0577 | |
| 355 | A | A | -0.2254 | |
| 356 | G | A | 0.0000 | |
| 357 | E | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | R | A | -1.0626 | |
| 360 | V | A | 0.0000 | |
| 361 | Y | A | -0.7651 | |
| 362 | G | A | -1.4413 | |
| 363 | D | A | -1.8726 | |
| 364 | K | A | -1.0430 | |
| 365 | C | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | D | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | G | A | -1.0204 | |
| 370 | G | A | -1.1498 | |
| 371 | T | A | -1.0137 | |
| 372 | G | A | -1.2685 | |
| 373 | N | A | -1.5270 | |
| 374 | G | A | -1.3838 | |
| 375 | A | A | -1.4885 | |
| 376 | R | A | -1.8715 | |
| 377 | V | A | 0.0000 | |
| 378 | Q | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | Y | A | -0.0541 | |
| 381 | S | A | -0.3518 | |
| 382 | C | A | -0.0336 | |
| 383 | W | A | 0.8940 | |
| 384 | G | A | 0.1683 | |
| 385 | A | A | -0.1828 | |
| 386 | D | A | -0.8257 | |
| 387 | N | A | -0.8261 | |
| 388 | Q | A | 0.0000 | |
| 389 | K | A | -0.7474 | |
| 390 | W | A | 0.0000 | |
| 391 | R | A | -0.3985 | |
| 392 | L | A | -0.2897 | |
| 393 | N | A | -0.8830 | |
| 394 | S | A | -1.0849 | |
| 395 | D | A | -1.8034 | |
| 396 | G | A | -1.2275 | |
| 397 | S | A | -1.0791 | |
| 398 | I | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | Q | A | -1.4403 | |
| 403 | S | A | -0.8577 | |
| 404 | G | A | -0.5956 | |
| 405 | L | A | -0.1039 | |
| 406 | C | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | V | A | 0.1555 | |
| 411 | G | A | -0.3400 | |
| 412 | S | A | -0.4634 | |
| 413 | G | A | -0.3659 | |
| 414 | S | A | -0.2796 | |
| 415 | A | A | -0.4584 | |
| 416 | N | A | -0.7134 | |
| 417 | G | A | -0.3373 | |
| 418 | T | A | 0.0478 | |
| 419 | L | A | 0.2990 | |
| 420 | I | A | 0.0000 | |
| 421 | Q | A | -0.8185 | |
| 422 | L | A | 0.0000 | |
| 423 | Y | A | 0.0135 | |
| 424 | S | A | -0.1250 | |
| 425 | C | A | -0.0687 | |
| 426 | S | A | -0.8338 | |
| 427 | D | A | -2.1956 | |
| 428 | G | A | -1.1927 | |
| 429 | S | A | -0.8334 | |
| 430 | N | A | -0.8126 | |
| 431 | Q | A | 0.0000 | |
| 432 | R | A | -1.2832 | |
| 433 | W | A | 0.0000 | |
| 434 | T | A | -0.5518 | |
| 435 | R | A | -0.8556 | |
| 436 | T | A | -0.6137 |
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