| Chain sequence(s) |
A: FRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGSWENTRTKESCQAIKEYMDTTLNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDVDAVDVCIADGVCIDAF
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 (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:56)
[INFO] Main: Simulation completed successfully. (00:11:00)
|
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 | F | A | 0.7895 | |
| 2 | R | A | 0.1315 | |
| 3 | A | A | -0.0789 | |
| 4 | P | A | 0.0458 | |
| 5 | P | A | -0.1017 | |
| 6 | V | A | 0.4372 | |
| 7 | I | A | 0.2607 | |
| 8 | P | A | -0.4976 | |
| 9 | N | A | -1.2538 | |
| 10 | V | A | -0.0348 | |
| 11 | P | A | -0.4300 | |
| 12 | F | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | W | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | N | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | S | A | 0.0000 | |
| 21 | E | A | -0.7112 | |
| 22 | F | A | 0.7147 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -1.1686 | |
| 25 | G | A | -2.0811 | |
| 26 | K | A | -2.0264 | |
| 27 | F | A | -0.2380 | |
| 28 | D | A | -2.0995 | |
| 29 | E | A | -2.5443 | |
| 30 | P | A | -1.4032 | |
| 31 | L | A | 0.0000 | |
| 32 | D | A | -1.0331 | |
| 33 | M | A | -0.0268 | |
| 34 | S | A | -0.5595 | |
| 35 | L | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | 0.2480 | |
| 38 | F | A | 0.0000 | |
| 39 | I | A | 0.8159 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | -0.2917 | |
| 44 | I | A | 0.4586 | |
| 45 | N | A | -0.5330 | |
| 46 | A | A | -0.3418 | |
| 47 | T | A | -0.0162 | |
| 48 | G | A | -0.2951 | |
| 49 | Q | A | -0.1533 | |
| 50 | G | A | -0.0277 | |
| 51 | V | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Y | A | -0.1572 | |
| 56 | V | A | -0.5227 | |
| 57 | D | A | -1.3168 | |
| 58 | R | A | -0.4553 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | Y | A | -0.3226 | |
| 62 | Y | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Y | A | 0.1073 | |
| 65 | I | A | 0.0000 | |
| 66 | D | A | 0.5212 | |
| 67 | S | A | 0.6110 | |
| 68 | I | A | 1.8740 | |
| 69 | T | A | 1.0049 | |
| 70 | G | A | 0.7321 | |
| 71 | V | A | 1.4881 | |
| 72 | T | A | 0.5351 | |
| 73 | V | A | 0.3973 | |
| 74 | N | A | -0.1988 | |
| 75 | G | A | -0.6491 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.4039 | |
| 80 | K | A | -1.7220 | |
| 81 | I | A | -0.9499 | |
| 82 | S | A | -1.1024 | |
| 83 | L | A | -1.1235 | |
| 84 | Q | A | -2.0720 | |
| 85 | D | A | -2.3064 | |
| 86 | H | A | 0.0000 | |
| 87 | L | A | -1.7965 | |
| 88 | D | A | -2.4860 | |
| 89 | K | A | -2.1961 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -1.7853 | |
| 92 | K | A | -2.1589 | |
| 93 | D | A | -1.2349 | |
| 94 | I | A | 0.0000 | |
| 95 | T | A | -0.1125 | |
| 96 | F | A | 0.8046 | |
| 97 | Y | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | 0.5972 | |
| 100 | V | A | 0.9528 | |
| 101 | D | A | -0.7857 | |
| 102 | N | A | -1.3441 | |
| 103 | L | A | -0.4561 | |
| 104 | G | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | -0.2460 | |
| 110 | W | A | 0.0000 | |
| 111 | E | A | -0.9365 | |
| 112 | E | A | -0.8764 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | -0.4684 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -0.7276 | |
| 117 | W | A | -0.3950 | |
| 118 | A | A | -0.0479 | |
| 119 | R | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | W | A | -0.4260 | |
| 122 | K | A | -1.6867 | |
| 123 | P | A | -1.3130 | |
| 124 | K | A | -1.2338 | |
| 125 | D | A | -1.2765 | |
| 126 | V | A | -0.8839 | |
| 127 | Y | A | 0.0000 | |
| 128 | K | A | -1.2563 | |
| 129 | N | A | -1.8694 | |
| 130 | R | A | -1.7604 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | -1.7179 | |
| 133 | E | A | -1.5429 | |
| 134 | L | A | -1.5147 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.2449 | |
| 137 | Q | A | -1.7409 | |
| 138 | Q | A | -1.8075 | |
| 139 | N | A | -1.0804 | |
| 140 | V | A | 0.3702 | |
| 141 | Q | A | -0.7407 | |
| 142 | L | A | -0.5260 | |
| 143 | S | A | 0.0567 | |
| 144 | L | A | 0.5853 | |
| 145 | T | A | -0.7376 | |
| 146 | E | A | -2.3384 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -2.0468 | |
| 149 | E | A | -3.3023 | |
| 150 | K | A | -3.0198 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -2.9041 | |
| 153 | Q | A | -3.2472 | |
| 154 | E | A | -2.9116 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.1688 | |
| 157 | K | A | -2.6909 | |
| 158 | A | A | -1.8081 | |
| 159 | G | A | 0.0000 | |
| 160 | K | A | -1.5873 | |
| 161 | D | A | -1.3137 | |
| 162 | F | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | -0.9796 | |
| 165 | E | A | -1.4447 | |
| 166 | T | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | K | A | -0.9188 | |
| 169 | L | A | -0.3348 | |
| 170 | G | A | 0.0000 | |
| 171 | K | A | -0.3114 | |
| 172 | L | A | 0.9168 | |
| 173 | L | A | 0.3528 | |
| 174 | R | A | -0.4088 | |
| 175 | P | A | -0.8747 | |
| 176 | N | A | -1.4187 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.0987 | |
| 179 | W | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | L | A | 0.1035 | |
| 184 | F | A | 0.2510 | |
| 185 | P | A | 0.0000 | |
| 186 | D | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | -0.0948 | |
| 189 | N | A | 0.0000 | |
| 190 | H | A | -1.8142 | |
| 191 | H | A | -2.6019 | |
| 192 | Y | A | -2.1897 | |
| 193 | K | A | -3.2292 | |
| 194 | K | A | -3.1997 | |
| 195 | P | A | -1.8891 | |
| 196 | G | A | -1.5595 | |
| 197 | Y | A | -1.6118 | |
| 198 | N | A | -1.3432 | |
| 199 | G | A | 0.0000 | |
| 200 | S | A | -0.6309 | |
| 201 | C | A | -0.1419 | |
| 202 | F | A | 0.4784 | |
| 203 | N | A | -0.6845 | |
| 204 | V | A | 0.1606 | |
| 205 | E | A | 0.0000 | |
| 206 | I | A | -0.8306 | |
| 207 | K | A | -2.1245 | |
| 208 | R | A | -1.6168 | |
| 209 | N | A | 0.0000 | |
| 210 | D | A | -1.7378 | |
| 211 | D | A | -2.4856 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.9618 | |
| 214 | W | A | -0.7560 | |
| 215 | L | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | N | A | -1.4985 | |
| 218 | E | A | -1.1825 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.4142 | |
| 221 | A | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | Y | A | 0.1669 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -1.0088 | |
| 230 | T | A | -1.3811 | |
| 231 | Q | A | -1.7565 | |
| 232 | Q | A | -1.0640 | |
| 233 | S | A | -0.3065 | |
| 234 | P | A | 0.0791 | |
| 235 | V | A | 1.5120 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | 0.1646 | |
| 240 | Y | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | R | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | -1.1908 | |
| 247 | E | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | -0.5997 | |
| 250 | R | A | -0.8646 | |
| 251 | V | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | K | A | -1.4122 | |
| 254 | I | A | -0.8127 | |
| 255 | P | A | -1.3575 | |
| 256 | D | A | -2.1714 | |
| 257 | A | A | -1.4637 | |
| 258 | K | A | -1.9296 | |
| 259 | S | A | -1.2920 | |
| 260 | P | A | 0.0000 | |
| 261 | L | A | -0.5926 | |
| 262 | P | A | -0.0160 | |
| 263 | V | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | Y | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | R | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | T | A | -0.7125 | |
| 273 | D | A | -1.5618 | |
| 274 | Q | A | -1.3300 | |
| 275 | V | A | -0.3334 | |
| 276 | L | A | 0.4543 | |
| 277 | K | A | -0.8581 | |
| 278 | F | A | -0.1404 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.2530 | |
| 281 | Q | A | -1.5973 | |
| 282 | D | A | -2.2404 | |
| 283 | E | A | -1.3179 | |
| 284 | L | A | 0.0000 | |
| 285 | V | A | -0.6821 | |
| 286 | Y | A | -0.1745 | |
| 287 | T | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | S | A | 0.0761 | |
| 298 | G | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | W | A | 0.1877 | |
| 303 | G | A | 0.0000 | |
| 304 | S | A | -0.5542 | |
| 305 | W | A | -0.9067 | |
| 306 | E | A | -1.7289 | |
| 307 | N | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -2.4377 | |
| 310 | T | A | -2.3068 | |
| 311 | K | A | -2.7028 | |
| 312 | E | A | -3.0242 | |
| 313 | S | A | -2.2187 | |
| 314 | C | A | 0.0000 | |
| 315 | Q | A | -2.3106 | |
| 316 | A | A | -1.4588 | |
| 317 | I | A | 0.0000 | |
| 318 | K | A | -1.8143 | |
| 319 | E | A | -2.3722 | |
| 320 | Y | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | D | A | -1.3323 | |
| 323 | T | A | -0.8743 | |
| 324 | T | A | -0.6191 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | 0.0000 | |
| 327 | P | A | -0.2121 | |
| 328 | Y | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -0.2684 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | A | A | -0.1282 | |
| 337 | K | A | -0.7612 | |
| 338 | M | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | -1.5004 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -2.3420 | |
| 346 | E | A | -2.4467 | |
| 347 | Q | A | -1.8274 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | -0.1068 | |
| 350 | C | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | R | A | 0.0000 | |
| 353 | K | A | -2.6420 | |
| 354 | N | A | -2.3252 | |
| 355 | W | A | -1.4293 | |
| 356 | N | A | -1.4761 | |
| 357 | S | A | -1.2960 | |
| 358 | S | A | -0.6955 | |
| 359 | D | A | -1.1187 | |
| 360 | Y | A | -0.1333 | |
| 361 | L | A | 0.0000 | |
| 362 | H | A | -0.4606 | |
| 363 | L | A | 0.0000 | |
| 364 | N | A | -1.7154 | |
| 365 | P | A | -1.4589 | |
| 366 | D | A | -2.2411 | |
| 367 | N | A | -2.2481 | |
| 368 | F | A | 0.0000 | |
| 369 | A | A | -1.3594 | |
| 370 | I | A | -0.5400 | |
| 371 | Q | A | -1.4832 | |
| 372 | L | A | -1.1202 | |
| 373 | E | A | -2.0955 | |
| 374 | K | A | -2.5992 | |
| 375 | G | A | -1.9551 | |
| 376 | G | A | -2.1893 | |
| 377 | K | A | -2.6975 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -1.3151 | |
| 380 | V | A | 0.0000 | |
| 381 | R | A | -2.6749 | |
| 382 | G | A | -2.7234 | |
| 383 | K | A | -2.3705 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | -0.7903 | |
| 386 | L | A | -1.2977 | |
| 387 | E | A | -2.3138 | |
| 388 | D | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -2.9218 | |
| 391 | Q | A | -2.5127 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | -2.1259 | |
| 394 | E | A | -2.8329 | |
| 395 | K | A | -2.4648 | |
| 396 | F | A | 0.0000 | |
| 397 | Y | A | -0.6701 | |
| 398 | C | A | -0.6834 | |
| 399 | S | A | 0.0000 | |
| 400 | C | A | -0.1710 | |
| 401 | Y | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | T | A | -0.0470 | |
| 404 | L | A | 0.2766 | |
| 405 | S | A | -0.3988 | |
| 406 | C | A | 0.0000 | |
| 407 | K | A | -2.5954 | |
| 408 | E | A | -2.5343 | |
| 409 | K | A | -2.2543 | |
| 410 | A | A | -1.7274 | |
| 411 | D | A | -2.5710 | |
| 412 | V | A | 0.0000 | |
| 413 | K | A | -3.3931 | |
| 414 | D | A | -3.2727 | |
| 415 | V | A | -1.8913 | |
| 416 | D | A | -1.9056 | |
| 417 | A | A | -1.0619 | |
| 418 | V | A | 0.0000 | |
| 419 | D | A | -2.1778 | |
| 420 | V | A | 0.0000 | |
| 421 | C | A | -0.6436 | |
| 422 | I | A | -0.0318 | |
| 423 | A | A | -0.7341 | |
| 424 | D | A | -2.0630 | |
| 425 | G | A | -1.4122 | |
| 426 | V | A | 0.0000 | |
| 427 | C | A | -1.1318 | |
| 428 | I | A | 0.0000 | |
| 429 | D | A | -2.6091 | |
| 430 | A | A | -1.1176 | |
| 431 | F | A | 0.6751 |
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