| Chain sequence(s) |
A: HHHHHHFNSINDSKILSLQNKKNALVDTSGYNAEVRVGDNVQLNTIYTNDFKLSSSGDKIIVNLNNNILYSAIYENSSVSFWIKISKDLTNSHNEYTIINSIEQNSGWKLCIRNGNIEWILQDVNRKYKSLIFDYSESLSHTGYTNKWFFVTITNNIMGYMKLYINGELKQSQKIEDLDEVKLDKTIVFGIDENIDENQMLWIRDFNIFSKELSNEDINIVYEGQILRNVIKDYWGNPLKFDTEYYIINDNYIDRYIAPESNVLVLVQYPDRSKLYTGNPITIKSVSDKNPYSRILNGDNIILHMLYNSRKYMIIRDTDTIYATQGGECSQNCVYALKLQSNLGNYGIGIFSIKNIVSKNKYCSQIFSSFRENTMLLADIYKPWRFSFKNAYTPVAVTNYETKLLSTSSFWKFISRDPGWVE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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 (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:21:23)
[CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie
creation failed. (00:21:23)
[INFO] Main: Simulation completed successfully. (00:21:27)
|
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 | H | A | -1.8177 | |
| 2 | H | A | -2.1853 | |
| 3 | H | A | -2.1952 | |
| 4 | H | A | -2.1179 | |
| 5 | H | A | -1.8080 | |
| 6 | H | A | -1.8330 | |
| 7 | F | A | -1.1282 | |
| 8 | N | A | -2.0428 | |
| 9 | S | A | -1.9015 | |
| 10 | I | A | 0.0000 | |
| 11 | N | A | -2.5405 | |
| 12 | D | A | -2.8778 | |
| 13 | S | A | 0.0000 | |
| 14 | K | A | -1.4298 | |
| 15 | I | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | S | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | Q | A | -1.0713 | |
| 20 | N | A | 0.0000 | |
| 21 | K | A | -2.3339 | |
| 22 | K | A | -2.8106 | |
| 23 | N | A | -2.3973 | |
| 24 | A | A | -1.4357 | |
| 25 | L | A | 0.0000 | |
| 26 | V | A | -0.8545 | |
| 27 | D | A | -0.8410 | |
| 28 | T | A | -0.5532 | |
| 29 | S | A | -0.9421 | |
| 30 | G | A | -0.8775 | |
| 31 | Y | A | -1.0015 | |
| 32 | N | A | -1.7271 | |
| 33 | A | A | 0.0000 | |
| 34 | E | A | -2.4573 | |
| 35 | V | A | 0.0000 | |
| 36 | R | A | -2.0707 | |
| 37 | V | A | -1.0554 | |
| 38 | G | A | -1.9710 | |
| 39 | D | A | -2.9063 | |
| 40 | N | A | -2.5501 | |
| 41 | V | A | -1.7171 | |
| 42 | Q | A | -1.4754 | |
| 43 | L | A | -0.5896 | |
| 44 | N | A | -0.3135 | |
| 45 | T | A | -0.1123 | |
| 46 | I | A | 0.5357 | |
| 47 | Y | A | 0.0000 | |
| 48 | T | A | -0.4978 | |
| 49 | N | A | 0.0000 | |
| 50 | D | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | K | A | -0.8866 | |
| 53 | L | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | S | A | -2.0435 | |
| 56 | S | A | -1.7603 | |
| 57 | G | A | -1.8112 | |
| 58 | D | A | 0.0000 | |
| 59 | K | A | -1.7133 | |
| 60 | I | A | 0.0000 | |
| 61 | I | A | -0.6026 | |
| 62 | V | A | 0.0000 | |
| 63 | N | A | -2.0116 | |
| 64 | L | A | 0.0000 | |
| 65 | N | A | -2.6651 | |
| 66 | N | A | -2.6348 | |
| 67 | N | A | -2.1288 | |
| 68 | I | A | 0.0000 | |
| 69 | L | A | -1.3056 | |
| 70 | Y | A | 0.0000 | |
| 71 | S | A | -0.7962 | |
| 72 | A | A | -0.6109 | |
| 73 | I | A | 1.1823 | |
| 74 | Y | A | 0.5413 | |
| 75 | E | A | -0.6797 | |
| 76 | N | A | -0.6688 | |
| 77 | S | A | -0.7587 | |
| 78 | S | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | K | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | S | A | 0.0000 | |
| 87 | K | A | -1.6553 | |
| 88 | D | A | -2.4292 | |
| 89 | L | A | 0.0000 | |
| 90 | T | A | -1.9665 | |
| 91 | N | A | -2.3364 | |
| 92 | S | A | -2.1041 | |
| 93 | H | A | -2.3218 | |
| 94 | N | A | -2.7220 | |
| 95 | E | A | -2.3594 | |
| 96 | Y | A | 0.0000 | |
| 97 | T | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -0.5826 | |
| 101 | S | A | 0.0000 | |
| 102 | I | A | -1.5043 | |
| 103 | E | A | -2.8380 | |
| 104 | Q | A | -2.7686 | |
| 105 | N | A | -2.5054 | |
| 106 | S | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | W | A | 0.0000 | |
| 109 | K | A | -0.3735 | |
| 110 | L | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | R | A | -1.7434 | |
| 114 | N | A | -2.0787 | |
| 115 | G | A | -1.5179 | |
| 116 | N | A | -1.1790 | |
| 117 | I | A | 0.0000 | |
| 118 | E | A | -0.3230 | |
| 119 | W | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | Q | A | -1.5423 | |
| 123 | D | A | 0.0000 | |
| 124 | V | A | -2.4277 | |
| 125 | N | A | -2.8911 | |
| 126 | R | A | -3.0118 | |
| 127 | K | A | -2.4550 | |
| 128 | Y | A | -0.5335 | |
| 129 | K | A | -0.9727 | |
| 130 | S | A | -0.4046 | |
| 131 | L | A | 0.0000 | |
| 132 | I | A | -0.1772 | |
| 133 | F | A | -0.6947 | |
| 134 | D | A | -1.6101 | |
| 135 | Y | A | 0.0000 | |
| 136 | S | A | -1.6075 | |
| 137 | E | A | -2.0953 | |
| 138 | S | A | -1.0220 | |
| 139 | L | A | 0.1828 | |
| 140 | S | A | -0.2735 | |
| 141 | H | A | -0.1805 | |
| 142 | T | A | -0.1205 | |
| 143 | G | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | T | A | -0.5736 | |
| 146 | N | A | 0.0000 | |
| 147 | K | A | -0.4801 | |
| 148 | W | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | N | A | -0.5827 | |
| 156 | N | A | -0.4321 | |
| 157 | I | A | -0.1306 | |
| 158 | M | A | 0.2034 | |
| 159 | G | A | 0.0000 | |
| 160 | Y | A | -0.3231 | |
| 161 | M | A | 0.0000 | |
| 162 | K | A | -0.6398 | |
| 163 | L | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | N | A | -1.1016 | |
| 167 | G | A | 0.0000 | |
| 168 | E | A | -1.1325 | |
| 169 | L | A | -0.3916 | |
| 170 | K | A | -1.1999 | |
| 171 | Q | A | -1.0313 | |
| 172 | S | A | -0.8798 | |
| 173 | Q | A | -1.5980 | |
| 174 | K | A | -2.2197 | |
| 175 | I | A | 0.0000 | |
| 176 | E | A | -2.7742 | |
| 177 | D | A | -2.9751 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | -3.1400 | |
| 180 | E | A | -3.0253 | |
| 181 | V | A | 0.0000 | |
| 182 | K | A | -2.4800 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -2.7436 | |
| 185 | K | A | -2.6616 | |
| 186 | T | A | -1.2516 | |
| 187 | I | A | 0.0000 | |
| 188 | V | A | -0.2221 | |
| 189 | F | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | D | A | -2.3837 | |
| 193 | E | A | -3.1892 | |
| 194 | N | A | -3.1859 | |
| 195 | I | A | -2.7167 | |
| 196 | D | A | -3.3370 | |
| 197 | E | A | -3.1894 | |
| 198 | N | A | -2.8086 | |
| 199 | Q | A | 0.0000 | |
| 200 | M | A | -0.9299 | |
| 201 | L | A | 0.0000 | |
| 202 | W | A | 0.0000 | |
| 203 | I | A | 0.0000 | |
| 204 | R | A | 0.0000 | |
| 205 | D | A | -0.4683 | |
| 206 | F | A | 0.0000 | |
| 207 | N | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | -1.0428 | |
| 211 | K | A | -1.6185 | |
| 212 | E | A | -1.4509 | |
| 213 | L | A | 0.0000 | |
| 214 | S | A | -1.5380 | |
| 215 | N | A | -2.1526 | |
| 216 | E | A | -2.2033 | |
| 217 | D | A | -1.5194 | |
| 218 | I | A | 0.0000 | |
| 219 | N | A | -1.9028 | |
| 220 | I | A | 0.0000 | |
| 221 | V | A | -0.7082 | |
| 222 | Y | A | 0.0000 | |
| 223 | E | A | -1.1728 | |
| 224 | G | A | -0.9486 | |
| 225 | Q | A | -0.3733 | |
| 226 | I | A | 0.0000 | |
| 227 | L | A | -0.3885 | |
| 228 | R | A | -1.2486 | |
| 229 | N | A | -1.6949 | |
| 230 | V | A | -0.9154 | |
| 231 | I | A | 0.0000 | |
| 232 | K | A | 0.0000 | |
| 233 | D | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | W | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | N | A | -0.2036 | |
| 238 | P | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | K | A | -1.1188 | |
| 241 | F | A | 0.0000 | |
| 242 | D | A | -2.0550 | |
| 243 | T | A | -1.8921 | |
| 244 | E | A | -2.5434 | |
| 245 | Y | A | 0.0000 | |
| 246 | Y | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | D | A | -0.9798 | |
| 251 | N | A | -1.1239 | |
| 252 | Y | A | -0.3452 | |
| 253 | I | A | -0.2246 | |
| 254 | D | A | -1.2005 | |
| 255 | R | A | -0.7066 | |
| 256 | Y | A | -0.0518 | |
| 257 | I | A | 0.0000 | |
| 258 | A | A | -0.5462 | |
| 259 | P | A | 0.0000 | |
| 260 | E | A | -2.2651 | |
| 261 | S | A | -1.6535 | |
| 262 | N | A | -1.9719 | |
| 263 | V | A | -1.0938 | |
| 264 | L | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | V | A | -0.2656 | |
| 268 | Q | A | -1.1802 | |
| 269 | Y | A | -1.0098 | |
| 270 | P | A | -1.4506 | |
| 271 | D | A | -1.9449 | |
| 272 | R | A | -2.6263 | |
| 273 | S | A | -1.6905 | |
| 274 | K | A | -1.4995 | |
| 275 | L | A | 0.0000 | |
| 276 | Y | A | 0.0000 | |
| 277 | T | A | -0.1871 | |
| 278 | G | A | 0.0674 | |
| 279 | N | A | -0.5765 | |
| 280 | P | A | -0.8929 | |
| 281 | I | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | K | A | -1.7726 | |
| 285 | S | A | -1.6496 | |
| 286 | V | A | -1.2221 | |
| 287 | S | A | -1.8662 | |
| 288 | D | A | -3.1150 | |
| 289 | K | A | -3.0027 | |
| 290 | N | A | -2.4922 | |
| 291 | P | A | -1.6475 | |
| 292 | Y | A | -0.2270 | |
| 293 | S | A | -0.7639 | |
| 294 | R | A | -0.8513 | |
| 295 | I | A | 0.0000 | |
| 296 | L | A | -0.9397 | |
| 297 | N | A | -1.7515 | |
| 298 | G | A | -1.3719 | |
| 299 | D | A | -1.2082 | |
| 300 | N | A | -1.1138 | |
| 301 | I | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | H | A | -0.9619 | |
| 305 | M | A | 0.0000 | |
| 306 | L | A | -1.2437 | |
| 307 | Y | A | -1.0945 | |
| 308 | N | A | -1.9129 | |
| 309 | S | A | -1.8274 | |
| 310 | R | A | -2.8789 | |
| 311 | K | A | -2.6140 | |
| 312 | Y | A | -1.4305 | |
| 313 | M | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | I | A | 0.3878 | |
| 316 | R | A | 0.0000 | |
| 317 | D | A | 0.0000 | |
| 318 | T | A | -0.8212 | |
| 319 | D | A | -1.6433 | |
| 320 | T | A | -0.6551 | |
| 321 | I | A | 0.1903 | |
| 322 | Y | A | 0.0379 | |
| 323 | A | A | 0.0000 | |
| 324 | T | A | -0.9814 | |
| 325 | Q | A | -1.6823 | |
| 326 | G | A | -1.6284 | |
| 327 | G | A | -1.5483 | |
| 328 | E | A | -1.9091 | |
| 329 | C | A | -1.0860 | |
| 330 | S | A | -1.3005 | |
| 331 | Q | A | -1.5361 | |
| 332 | N | A | -1.2465 | |
| 333 | C | A | -0.7052 | |
| 334 | V | A | 0.0000 | |
| 335 | Y | A | 0.0242 | |
| 336 | A | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | K | A | -0.8924 | |
| 339 | L | A | 0.0000 | |
| 340 | Q | A | -1.0316 | |
| 341 | S | A | -1.5874 | |
| 342 | N | A | -1.1459 | |
| 343 | L | A | 0.0110 | |
| 344 | G | A | -0.7120 | |
| 345 | N | A | -0.7294 | |
| 346 | Y | A | 0.7796 | |
| 347 | G | A | 0.3535 | |
| 348 | I | A | 0.0000 | |
| 349 | G | A | 0.0000 | |
| 350 | I | A | 0.6356 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | K | A | -1.8352 | |
| 355 | N | A | -1.1960 | |
| 356 | I | A | 0.0000 | |
| 357 | V | A | -0.3803 | |
| 358 | S | A | -0.7084 | |
| 359 | K | A | -2.0503 | |
| 360 | N | A | -1.4310 | |
| 361 | K | A | -1.7017 | |
| 362 | Y | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | Q | A | -0.5592 | |
| 366 | I | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | S | A | -0.7897 | |
| 369 | S | A | -0.8713 | |
| 370 | F | A | -1.5283 | |
| 371 | R | A | -2.8990 | |
| 372 | E | A | -3.0942 | |
| 373 | N | A | -2.5979 | |
| 374 | T | A | -1.5857 | |
| 375 | M | A | -1.1586 | |
| 376 | L | A | 0.0000 | |
| 377 | L | A | -0.3569 | |
| 378 | A | A | 0.0000 | |
| 379 | D | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | Y | A | 0.0000 | |
| 382 | K | A | -0.6255 | |
| 383 | P | A | -0.3222 | |
| 384 | W | A | -0.0107 | |
| 385 | R | A | 0.0000 | |
| 386 | F | A | 0.3804 | |
| 387 | S | A | 0.2542 | |
| 388 | F | A | 0.1320 | |
| 389 | K | A | -1.6327 | |
| 390 | N | A | -1.7336 | |
| 391 | A | A | -0.4938 | |
| 392 | Y | A | 0.0987 | |
| 393 | T | A | 0.0000 | |
| 394 | P | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | T | A | 0.0000 | |
| 399 | N | A | -1.8838 | |
| 400 | Y | A | -1.0858 | |
| 401 | E | A | -1.7572 | |
| 402 | T | A | -0.6751 | |
| 403 | K | A | -0.2491 | |
| 404 | L | A | 0.4697 | |
| 405 | L | A | 1.3991 | |
| 406 | S | A | 0.3028 | |
| 407 | T | A | -0.1752 | |
| 408 | S | A | 0.0000 | |
| 409 | S | A | 0.0000 | |
| 410 | F | A | 0.0000 | |
| 411 | W | A | 0.0000 | |
| 412 | K | A | -0.4867 | |
| 413 | F | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | S | A | -1.6270 | |
| 416 | R | A | -2.2958 | |
| 417 | D | A | -0.9383 | |
| 418 | P | A | -0.7752 | |
| 419 | G | A | 0.0000 | |
| 420 | W | A | 0.0000 | |
| 421 | V | A | 0.0568 | |
| 422 | E | A | -1.5145 |
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