| Chain sequence(s) |
A: AESTLGAAAAQSGRYFGTAIASGKLGDSAYTTIASREFNMVTAENEMKIDATEPQRGQFNFTAGDRIYNWAVQNGKQVRGHTLAWHSQQPGWMQSLSGSTLRQAMINHINGVMGHYKGKIYQWDVVNEAFADGSSGARRDSNLQRTGNDWIEVAFRTARAADPAAKLCYNDYNIENWTWAKTQAMYNMVRDFKQRGVPIDCVGFQAHFNSGSPYPSNFRTTLQNFAALGVDVAITELDIQGAPASTYANVVNDCLAVPRCLGITVWGVRDTDSWRSGDTPLLFNGDGSKKAAYTAVLNALNGGSTTPPPAGGGSIKGVGSGRCLDVPNSSTTDGTQLQLWDCSGGTNQQWTYTAAGELRVYGDKCLDAGGTGNGARVQIYSCWGADNQKWRLNSDGSIVGVQSGLCLDAVGSGTANGTLIQLYSCSGGSNQRWTRT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | WS383A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.246007 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 (00:01:29)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:34)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:51)
[INFO] Main: Simulation completed successfully. (00:02:53)
|
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 | -0.9632 | |
| 8 | A | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | A | A | -1.0292 | |
| 11 | Q | A | -1.6829 | |
| 12 | S | A | -1.0409 | |
| 13 | G | A | -0.9661 | |
| 14 | R | A | -0.7600 | |
| 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 | -0.7638 | |
| 22 | S | A | -1.0491 | |
| 23 | G | A | -1.0882 | |
| 24 | K | A | -1.1202 | |
| 25 | L | A | -0.8505 | |
| 26 | G | A | -1.0211 | |
| 27 | D | A | -1.2065 | |
| 28 | S | A | -0.6842 | |
| 29 | A | A | -0.6795 | |
| 30 | Y | A | 0.0000 | |
| 31 | T | A | -0.6281 | |
| 32 | T | A | -0.6218 | |
| 33 | I | A | -0.5545 | |
| 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 | -0.9112 | |
| 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 | -1.1740 | |
| 46 | E | A | -1.1824 | |
| 47 | M | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | D | A | -2.3342 | |
| 51 | A | A | -1.2037 | |
| 52 | T | A | 0.0000 | |
| 53 | E | A | 0.0000 | |
| 54 | P | A | -1.9851 | |
| 55 | Q | A | -2.8408 | |
| 56 | R | A | -3.1805 | |
| 57 | G | A | -2.2778 | |
| 58 | Q | A | -2.1046 | |
| 59 | F | A | -1.0947 | |
| 60 | N | A | -0.9931 | |
| 61 | F | A | -0.4540 | |
| 62 | T | A | -0.7287 | |
| 63 | A | A | -1.0527 | |
| 64 | G | A | 0.0000 | |
| 65 | D | A | -1.7265 | |
| 66 | R | A | -2.3792 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | -1.3174 | |
| 69 | N | A | -1.8148 | |
| 70 | W | A | -1.1532 | |
| 71 | A | A | 0.0000 | |
| 72 | V | A | -0.5055 | |
| 73 | Q | A | -1.2963 | |
| 74 | N | A | -1.4372 | |
| 75 | G | A | -1.0396 | |
| 76 | K | A | 0.0000 | |
| 77 | Q | A | -0.9453 | |
| 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 | -1.0848 | |
| 87 | S | A | -0.9294 | |
| 88 | Q | A | -1.5400 | |
| 89 | Q | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | G | A | -1.5649 | |
| 92 | W | A | -1.3396 | |
| 93 | M | A | 0.0000 | |
| 94 | Q | A | -1.5940 | |
| 95 | S | A | -0.8418 | |
| 96 | L | A | -0.5556 | |
| 97 | S | A | -1.1228 | |
| 98 | G | A | -1.0713 | |
| 99 | S | A | -0.9365 | |
| 100 | T | A | -0.6764 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -1.1630 | |
| 103 | Q | A | -1.4679 | |
| 104 | A | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | I | A | -0.9029 | |
| 107 | N | A | -1.7966 | |
| 108 | H | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | N | A | -1.5126 | |
| 111 | G | A | -1.2028 | |
| 112 | V | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | G | A | -1.4809 | |
| 115 | H | A | -1.3194 | |
| 116 | Y | A | 0.0000 | |
| 117 | K | A | -2.6104 | |
| 118 | G | A | -1.8852 | |
| 119 | K | A | -1.8532 | |
| 120 | I | A | 0.0000 | |
| 121 | Y | A | -0.3156 | |
| 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 | -0.4945 | |
| 129 | A | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | A | A | -1.5491 | |
| 132 | D | A | -1.8880 | |
| 133 | G | A | -1.3193 | |
| 134 | S | A | -0.7862 | |
| 135 | S | A | -0.7360 | |
| 136 | G | A | -0.7279 | |
| 137 | A | A | -0.9206 | |
| 138 | R | A | -1.4690 | |
| 139 | R | A | -1.9587 | |
| 140 | D | A | -2.5655 | |
| 141 | S | A | -1.9646 | |
| 142 | N | A | -1.8088 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | -2.5326 | |
| 145 | R | A | -2.8514 | |
| 146 | T | A | -1.8121 | |
| 147 | G | A | -2.0386 | |
| 148 | N | A | -2.5471 | |
| 149 | D | A | -2.2200 | |
| 150 | W | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | E | A | -1.2234 | |
| 153 | V | A | -0.9282 | |
| 154 | A | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | R | A | -1.9155 | |
| 157 | T | A | -1.1391 | |
| 158 | A | A | 0.0000 | |
| 159 | R | A | -1.1874 | |
| 160 | A | A | -0.8242 | |
| 161 | A | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | P | A | -0.7386 | |
| 164 | A | A | -0.7497 | |
| 165 | A | A | 0.0000 | |
| 166 | K | A | -0.4802 | |
| 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 | -0.1413 | |
| 173 | N | A | -0.4707 | |
| 174 | I | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | N | A | -0.2912 | |
| 177 | W | A | -0.1285 | |
| 178 | T | A | 0.0638 | |
| 179 | W | A | -0.0746 | |
| 180 | A | A | -0.3927 | |
| 181 | K | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | Q | A | -0.4022 | |
| 184 | A | A | -0.5172 | |
| 185 | M | A | 0.0000 | |
| 186 | Y | A | -0.6638 | |
| 187 | N | A | -1.3535 | |
| 188 | M | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | R | A | -2.1613 | |
| 191 | D | A | -2.3685 | |
| 192 | F | A | 0.0000 | |
| 193 | K | A | -2.5007 | |
| 194 | Q | A | -2.8629 | |
| 195 | R | A | -2.9992 | |
| 196 | G | A | -2.2437 | |
| 197 | V | A | 0.0000 | |
| 198 | P | A | -1.2408 | |
| 199 | I | A | 0.0000 | |
| 200 | D | A | -0.6721 | |
| 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 | -0.4873 | |
| 208 | F | A | 0.0000 | |
| 209 | N | A | -1.1835 | |
| 210 | S | A | -0.9087 | |
| 211 | G | A | -0.8050 | |
| 212 | S | A | -0.6592 | |
| 213 | P | A | -0.7179 | |
| 214 | Y | A | -0.3393 | |
| 215 | P | A | -0.3448 | |
| 216 | S | A | -0.6255 | |
| 217 | N | A | -0.7501 | |
| 218 | F | A | 0.0000 | |
| 219 | R | A | -1.4034 | |
| 220 | T | A | -0.9314 | |
| 221 | T | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | -1.2547 | |
| 224 | N | A | -0.7206 | |
| 225 | F | A | 0.0000 | |
| 226 | A | A | -0.7035 | |
| 227 | A | A | -0.4781 | |
| 228 | L | A | -0.6124 | |
| 229 | G | A | -0.7430 | |
| 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 | -1.4001 | |
| 241 | G | A | -0.9649 | |
| 242 | A | A | 0.0000 | |
| 243 | P | A | -0.3078 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -0.3867 | |
| 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 | -0.1477 | |
| 256 | A | A | -0.3081 | |
| 257 | V | A | 0.0000 | |
| 258 | P | A | -0.8423 | |
| 259 | R | A | -1.2849 | |
| 260 | C | A | 0.0000 | |
| 261 | L | A | -0.2779 | |
| 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 | -0.7448 | |
| 272 | D | A | -0.4125 | |
| 273 | S | A | 0.0000 | |
| 274 | W | A | 0.2385 | |
| 275 | R | A | -1.3684 | |
| 276 | S | A | -1.0333 | |
| 277 | G | A | -1.1007 | |
| 278 | D | A | -1.2377 | |
| 279 | T | A | -1.0311 | |
| 280 | P | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | N | A | -1.2939 | |
| 285 | G | A | -1.4388 | |
| 286 | D | A | -2.2117 | |
| 287 | G | A | -1.2464 | |
| 288 | S | A | -1.2529 | |
| 289 | K | A | -1.0770 | |
| 290 | K | A | -0.7198 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | A | A | -0.3021 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | -0.3993 | |
| 298 | N | A | -0.7544 | |
| 299 | A | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | N | A | -1.1850 | |
| 302 | G | A | -0.9413 | |
| 303 | G | A | -0.7538 | |
| 304 | S | A | -0.6434 | |
| 305 | T | A | -0.6145 | |
| 306 | T | A | -0.4934 | |
| 307 | P | A | -0.5646 | |
| 308 | P | A | -0.5962 | |
| 309 | P | A | -0.5606 | |
| 310 | A | A | -0.3282 | |
| 311 | G | A | -0.5559 | |
| 312 | G | A | -0.8567 | |
| 313 | G | A | 0.0000 | |
| 314 | S | A | -0.8060 | |
| 315 | I | A | 0.0000 | |
| 316 | K | A | -0.8478 | |
| 317 | G | A | 0.0000 | |
| 318 | V | A | 0.5854 | |
| 319 | G | A | -0.1904 | |
| 320 | S | A | -0.4719 | |
| 321 | G | A | -0.3550 | |
| 322 | R | A | -0.8208 | |
| 323 | C | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | D | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | P | A | -0.6679 | |
| 328 | N | A | -1.4061 | |
| 329 | S | A | -0.8476 | |
| 330 | S | A | -0.7417 | |
| 331 | T | A | -0.6251 | |
| 332 | T | A | -0.4963 | |
| 333 | D | A | -0.7232 | |
| 334 | G | A | -0.7471 | |
| 335 | T | A | -0.7089 | |
| 336 | Q | A | -0.6874 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | W | A | -0.3920 | |
| 341 | D | A | -1.3513 | |
| 342 | C | A | -0.5712 | |
| 343 | S | A | -0.6765 | |
| 344 | G | A | -0.8870 | |
| 345 | G | A | -0.6232 | |
| 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 | -0.4663 | |
| 352 | Y | A | -0.1283 | |
| 353 | T | A | -0.0633 | |
| 354 | A | A | -0.0512 | |
| 355 | A | A | -0.2066 | |
| 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 | -1.2057 | |
| 370 | G | A | -1.2873 | |
| 371 | T | A | -1.0738 | |
| 372 | G | A | -1.2838 | |
| 373 | N | A | -1.5486 | |
| 374 | G | A | -1.4096 | |
| 375 | A | A | -1.5832 | |
| 376 | R | A | -2.0202 | |
| 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 | -0.4960 | mutated: WS383A |
| 384 | G | A | -0.5062 | |
| 385 | A | A | -0.6138 | |
| 386 | D | A | -1.0812 | |
| 387 | N | A | -1.1578 | |
| 388 | Q | A | 0.0000 | |
| 389 | K | A | -0.8009 | |
| 390 | W | A | 0.0000 | |
| 391 | R | A | -0.3204 | |
| 392 | L | A | -0.2779 | |
| 393 | N | A | -1.0849 | |
| 394 | S | A | -1.4096 | |
| 395 | D | A | -2.2485 | |
| 396 | G | A | -1.3805 | |
| 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 | -1.4975 | |
| 403 | S | A | -0.8438 | |
| 404 | G | A | -0.4459 | |
| 405 | L | A | -0.0779 | |
| 406 | C | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | V | A | 0.1667 | |
| 411 | G | A | -0.3291 | |
| 412 | S | A | -0.4339 | |
| 413 | G | A | -0.3210 | |
| 414 | T | A | -0.1866 | |
| 415 | A | A | -0.4327 | |
| 416 | N | A | -0.6960 | |
| 417 | G | A | -0.3150 | |
| 418 | T | A | 0.0790 | |
| 419 | L | A | 0.2895 | |
| 420 | I | A | 0.0000 | |
| 421 | Q | A | -0.8786 | |
| 422 | L | A | 0.0000 | |
| 423 | Y | A | 0.0200 | |
| 424 | S | A | 0.0482 | |
| 425 | C | A | 0.2848 | |
| 426 | S | A | -0.2210 | |
| 427 | G | A | -1.0255 | |
| 428 | G | A | -0.5695 | |
| 429 | S | A | -0.4771 | |
| 430 | N | A | -0.5319 | |
| 431 | Q | A | 0.0000 | |
| 432 | R | A | -1.2044 | |
| 433 | W | A | 0.0000 | |
| 434 | T | A | -0.5866 | |
| 435 | R | A | -0.7361 | |
| 436 | T | A | -0.5881 |
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