| Chain sequence(s) |
A: GPLPLNPGPPLRPTTDYVTPTDLLYVAETDVLTETGNPTADIVKDGKVVTPRVSAYQWKVFLLTLPDPNKLPLPSADFLDRATEIAIWQLKAFYIGRGGPLGKGTYGHKDFNRLGDINNPTEPIHEGEDDTVNYSFTPKLLQSFVIGDLPPTGKYTAKAAPAPGLPPGATPPTEVKYTTIEHGDMADIGYGAKDYKELLPSKNDVPDIILNTTTKVIDFEGMKAEPTGRRMFTSDRYESSSNSETFRLDGPDLHPLPNDTPPSSLYVPPPPSSPYAIPPSTNIFTTPDAGAITEDKLLFNRPFFLTETEGLNHGVLWGNKLYITILDNSRAAITTITTKTSTPPVNVYNPANYTTSKTYTETYQLSLIVQLCRIPLTPETLAYLASLDPSILVNANLPFVPPVERPDPYAGKKFHHIDLTNKLSTDLSKYSLGQLYLNR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 | G | A | -0.2066 | |
| 2 | P | A | 0.4134 | |
| 3 | L | A | 1.3946 | |
| 4 | P | A | 0.7101 | |
| 5 | L | A | 1.0566 | |
| 6 | N | A | -0.6575 | |
| 7 | P | A | -0.8017 | |
| 8 | G | A | -0.8254 | |
| 9 | P | A | -0.7110 | |
| 10 | P | A | -0.3126 | |
| 11 | L | A | 0.2760 | |
| 12 | R | A | -0.6360 | |
| 13 | P | A | -0.6326 | |
| 14 | T | A | 0.0000 | |
| 15 | T | A | -1.0672 | |
| 16 | D | A | -1.9259 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.7747 | |
| 20 | P | A | -0.8627 | |
| 21 | T | A | -1.0223 | |
| 22 | D | A | -1.6794 | |
| 23 | L | A | -0.5374 | |
| 24 | L | A | -0.1996 | |
| 25 | Y | A | 0.1121 | |
| 26 | V | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -0.8274 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.1547 | |
| 31 | V | A | 0.7403 | |
| 32 | L | A | 0.3340 | |
| 33 | T | A | -0.0128 | |
| 34 | E | A | -0.4458 | |
| 35 | T | A | -0.3869 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | -0.7076 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -0.6848 | |
| 40 | A | A | -0.2638 | |
| 41 | D | A | -0.2101 | |
| 42 | I | A | 1.4218 | |
| 43 | V | A | 1.1406 | |
| 44 | K | A | -1.4208 | |
| 45 | D | A | -2.4668 | |
| 46 | G | A | -1.4792 | |
| 47 | K | A | -1.1597 | |
| 48 | V | A | 1.4088 | |
| 49 | V | A | 1.8162 | |
| 50 | T | A | 1.0426 | |
| 51 | P | A | 0.2453 | |
| 52 | R | A | -0.4336 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | K | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | L | A | -0.8136 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.1624 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.2646 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.6453 | |
| 70 | K | A | -1.7957 | |
| 71 | L | A | -0.7871 | |
| 72 | P | A | -0.4947 | |
| 73 | L | A | -0.3079 | |
| 74 | P | A | -0.3505 | |
| 75 | S | A | -0.6560 | |
| 76 | A | A | -1.2586 | |
| 77 | D | A | -2.2044 | |
| 78 | F | A | -1.1853 | |
| 79 | L | A | 0.0000 | |
| 80 | D | A | -2.9458 | |
| 81 | R | A | -2.9347 | |
| 82 | A | A | -1.4727 | |
| 83 | T | A | -1.2817 | |
| 84 | E | A | -1.6374 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | Q | A | -0.4220 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -0.3852 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | Y | A | -0.1507 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -0.2977 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.2701 | |
| 99 | G | A | -0.5452 | |
| 100 | P | A | -0.3527 | |
| 101 | L | A | -0.1204 | |
| 102 | G | A | -0.2450 | |
| 103 | K | A | -0.7976 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.3073 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -1.1597 | |
| 108 | H | A | 0.0000 | |
| 109 | K | A | -2.6262 | |
| 110 | D | A | -2.4089 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.4658 | |
| 113 | R | A | -0.7284 | |
| 114 | L | A | -0.6862 | |
| 115 | G | A | -0.8909 | |
| 116 | D | A | -1.3197 | |
| 117 | I | A | -0.8292 | |
| 118 | N | A | -2.0640 | |
| 119 | N | A | -2.3490 | |
| 120 | P | A | -1.7731 | |
| 121 | T | A | -1.5405 | |
| 122 | E | A | -2.2048 | |
| 123 | P | A | -0.9892 | |
| 124 | I | A | -0.5741 | |
| 125 | H | A | -1.6457 | |
| 126 | E | A | -2.4588 | |
| 127 | G | A | -2.8881 | |
| 128 | E | A | -3.4125 | |
| 129 | D | A | -3.3041 | |
| 130 | D | A | -2.2923 | |
| 131 | T | A | -1.7154 | |
| 132 | V | A | -1.1566 | |
| 133 | N | A | -2.0295 | |
| 134 | Y | A | -1.0806 | |
| 135 | S | A | -0.7316 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | -0.6654 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -1.1478 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | L | A | -0.0046 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.1728 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | 0.3029 | |
| 155 | Y | A | 0.1827 | |
| 156 | T | A | -0.1593 | |
| 157 | A | A | 0.0000 | |
| 158 | K | A | -1.7466 | |
| 159 | A | A | -0.7267 | |
| 160 | A | A | -0.4607 | |
| 161 | P | A | -0.3276 | |
| 162 | A | A | -0.1050 | |
| 163 | P | A | -0.3122 | |
| 164 | G | A | -0.3272 | |
| 165 | L | A | 0.1660 | |
| 166 | P | A | -0.2894 | |
| 167 | P | A | -0.4882 | |
| 168 | G | A | -0.3351 | |
| 169 | A | A | -0.0915 | |
| 170 | T | A | -0.1689 | |
| 171 | P | A | -0.5504 | |
| 172 | P | A | -0.5861 | |
| 173 | T | A | -0.7874 | |
| 174 | E | A | -0.6231 | |
| 175 | V | A | 0.8463 | |
| 176 | K | A | 0.0943 | |
| 177 | Y | A | 1.0251 | |
| 178 | T | A | 0.3307 | |
| 179 | T | A | -0.2044 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.1819 | |
| 182 | H | A | -1.1528 | |
| 183 | G | A | -0.7357 | |
| 184 | D | A | -0.6333 | |
| 185 | M | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.6475 | |
| 190 | Y | A | 0.0000 | |
| 191 | G | A | -0.3709 | |
| 192 | A | A | -0.1217 | |
| 193 | K | A | -1.0253 | |
| 194 | D | A | -1.7887 | |
| 195 | Y | A | 0.0000 | |
| 196 | K | A | -3.4757 | |
| 197 | E | A | -3.1463 | |
| 198 | L | A | -1.7764 | |
| 199 | L | A | -1.6810 | |
| 200 | P | A | -1.7416 | |
| 201 | S | A | -1.5400 | |
| 202 | K | A | -2.7897 | |
| 203 | N | A | -1.8307 | |
| 204 | D | A | -1.1103 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.5648 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.5015 | |
| 211 | N | A | -2.6095 | |
| 212 | T | A | -1.4719 | |
| 213 | T | A | -1.0738 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.4078 | |
| 217 | I | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | -1.2561 | |
| 220 | E | A | -2.3092 | |
| 221 | G | A | -1.4537 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.5455 | |
| 224 | A | A | -1.5523 | |
| 225 | E | A | -1.3402 | |
| 226 | P | A | -0.4538 | |
| 227 | T | A | -0.4562 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | R | A | -0.4949 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | T | A | -1.1804 | |
| 234 | S | A | -1.0516 | |
| 235 | D | A | -1.5809 | |
| 236 | R | A | -2.4752 | |
| 237 | Y | A | -1.7636 | |
| 238 | E | A | -2.3066 | |
| 239 | S | A | -1.1338 | |
| 240 | S | A | -1.2868 | |
| 241 | S | A | -1.2481 | |
| 242 | N | A | -1.8229 | |
| 243 | S | A | -1.3296 | |
| 244 | E | A | -1.6574 | |
| 245 | T | A | -0.7510 | |
| 246 | F | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | L | A | 0.0103 | |
| 249 | D | A | -1.4401 | |
| 250 | G | A | -1.0510 | |
| 251 | P | A | -0.4337 | |
| 252 | D | A | -0.3265 | |
| 253 | L | A | 0.4849 | |
| 254 | H | A | -0.6498 | |
| 255 | P | A | -0.8029 | |
| 256 | L | A | -0.0810 | |
| 257 | P | A | -1.1138 | |
| 258 | N | A | -1.9974 | |
| 259 | D | A | -2.4145 | |
| 260 | T | A | -1.4098 | |
| 261 | P | A | -0.6406 | |
| 262 | P | A | -0.2812 | |
| 263 | S | A | 0.4012 | |
| 264 | S | A | 0.7183 | |
| 265 | L | A | 1.8120 | |
| 266 | Y | A | 1.8388 | |
| 267 | V | A | 1.9622 | |
| 268 | P | A | 0.9598 | |
| 269 | P | A | 0.5575 | |
| 270 | P | A | -0.1927 | |
| 271 | P | A | -0.0878 | |
| 272 | S | A | -0.0948 | |
| 273 | S | A | 0.3075 | |
| 274 | P | A | 0.3320 | |
| 275 | Y | A | 1.5477 | |
| 276 | A | A | 1.1815 | |
| 277 | I | A | 1.9353 | |
| 278 | P | A | 0.8241 | |
| 279 | P | A | 0.6756 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.2595 | |
| 282 | N | A | 0.3445 | |
| 283 | I | A | 1.8776 | |
| 284 | F | A | 0.9198 | |
| 285 | T | A | -0.2360 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -1.2723 | |
| 289 | A | A | 0.0000 | |
| 290 | G | A | -0.5683 | |
| 291 | A | A | -0.3684 | |
| 292 | I | A | -0.6184 | |
| 293 | T | A | -1.5162 | |
| 294 | E | A | -2.8407 | |
| 295 | D | A | -3.1212 | |
| 296 | K | A | -2.5386 | |
| 297 | L | A | -1.5250 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.0055 | |
| 301 | R | A | -0.9320 | |
| 302 | P | A | -0.1588 | |
| 303 | F | A | 0.2323 | |
| 304 | F | A | 0.0907 | |
| 305 | L | A | 0.0000 | |
| 306 | T | A | -0.9007 | |
| 307 | E | A | -2.2493 | |
| 308 | T | A | -1.8222 | |
| 309 | E | A | -2.5489 | |
| 310 | G | A | -1.5032 | |
| 311 | L | A | -0.5217 | |
| 312 | N | A | 0.0000 | |
| 313 | H | A | -0.9461 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | G | A | -0.7486 | |
| 319 | N | A | -0.8079 | |
| 320 | K | A | -0.9067 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | R | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | A | A | -0.1380 | |
| 333 | I | A | -0.0788 | |
| 334 | T | A | -0.1700 | |
| 335 | T | A | -0.1611 | |
| 336 | I | A | 0.5831 | |
| 337 | T | A | -0.2253 | |
| 338 | T | A | -0.6791 | |
| 339 | K | A | -1.7982 | |
| 340 | T | A | -1.0391 | |
| 341 | S | A | -0.7717 | |
| 342 | T | A | -0.6009 | |
| 343 | P | A | -0.6330 | |
| 344 | P | A | -0.4185 | |
| 345 | V | A | 0.3632 | |
| 346 | N | A | 0.0141 | |
| 347 | V | A | 1.7345 | |
| 348 | Y | A | 1.5960 | |
| 349 | N | A | 0.1179 | |
| 350 | P | A | -0.3233 | |
| 351 | A | A | -0.4268 | |
| 352 | N | A | -0.4552 | |
| 353 | Y | A | -0.5424 | |
| 354 | T | A | -0.3534 | |
| 355 | T | A | -0.4116 | |
| 356 | S | A | -0.7105 | |
| 357 | K | A | -1.4838 | |
| 358 | T | A | -0.7113 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.2551 | |
| 361 | E | A | 0.0000 | |
| 362 | T | A | 0.0725 | |
| 363 | Y | A | 0.0000 | |
| 364 | Q | A | -0.3429 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Q | A | -0.5179 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | R | A | -1.3447 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.9317 | |
| 376 | L | A | -0.7426 | |
| 377 | T | A | -0.6928 | |
| 378 | P | A | -1.0327 | |
| 379 | E | A | -1.8378 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -0.3483 | |
| 382 | A | A | -0.5455 | |
| 383 | Y | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | -0.2116 | |
| 386 | S | A | -0.1932 | |
| 387 | L | A | 0.0324 | |
| 388 | D | A | -0.3132 | |
| 389 | P | A | -0.3476 | |
| 390 | S | A | -0.8521 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -0.2534 | |
| 393 | V | A | -0.7682 | |
| 394 | N | A | -1.8153 | |
| 395 | A | A | -1.2174 | |
| 396 | N | A | -1.4373 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | 0.4257 | |
| 399 | F | A | 1.7249 | |
| 400 | V | A | 0.9014 | |
| 401 | P | A | 0.3281 | |
| 402 | P | A | -0.3530 | |
| 403 | V | A | -0.0275 | |
| 404 | E | A | -2.2505 | |
| 405 | R | A | -2.6029 | |
| 406 | P | A | -1.9655 | |
| 407 | D | A | -2.3089 | |
| 408 | P | A | -1.2770 | |
| 409 | Y | A | -1.0169 | |
| 410 | A | A | -1.1811 | |
| 411 | G | A | -1.3881 | |
| 412 | K | A | -1.9846 | |
| 413 | K | A | -2.3916 | |
| 414 | F | A | -1.2777 | |
| 415 | H | A | -1.1658 | |
| 416 | H | A | -1.6351 | |
| 417 | I | A | 0.0000 | |
| 418 | D | A | -2.4138 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.3635 | |
| 421 | N | A | -1.7934 | |
| 422 | K | A | -1.6231 | |
| 423 | L | A | -0.5216 | |
| 424 | S | A | -0.6510 | |
| 425 | T | A | -0.4056 | |
| 426 | D | A | -1.1880 | |
| 427 | L | A | 0.0000 | |
| 428 | S | A | -1.2380 | |
| 429 | K | A | -2.0798 | |
| 430 | Y | A | -1.0549 | |
| 431 | S | A | -0.6409 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | Q | A | -1.0801 | |
| 435 | L | A | -0.1360 | |
| 436 | Y | A | 0.0579 | |
| 437 | L | A | 0.2994 | |
| 438 | N | A | -1.3808 | |
| 439 | R | A | -1.7894 |
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