| Chain sequence(s) |
A: GHMPLNPEPELRHTSEFVTPTDLLYYAETDLITRTGHPEEDIVVDGKVLIPRVSAYDFRVFKLTLPDPNTLPLPSADAVDFSTEILIWRLLAFKIHRYGPLGVGSYGHPNFNRLGDVTNPTEPVHETEDDTVDYSFTPKRLQQYIIGDRPPTGVYVAPAAPAPGLPPGAPPPLERVSTTIEDGDRADIGFGARDFAALEPRKDDVPTLILNTTTKVIDYDGMRAEPTGSRMFTSDSYSSSRSVENYVLDGPDLVPLPDAPPPSPLYVPPPPSSPYAVRPSTRYFSVPDRGAITSADELFNKPVWLEKTPGKNDGILWNNQLYITILDNSRAAIATIKVQISTPLPNVYDPSNYVTAKLYTEQYKLSMIVQLCRIPLTPETLEYLRRLDPRILVNAKLPDIPAVERADPYAGKKFLEIDLTNKLSTDLSKSELGQLYLNR
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 | -0.6664 | |
| 2 | H | A | -0.5575 | |
| 3 | M | A | 0.5392 | |
| 4 | P | A | 0.2709 | |
| 5 | L | A | 0.6356 | |
| 6 | N | A | -1.1016 | |
| 7 | P | A | -1.7993 | |
| 8 | E | A | -2.6035 | |
| 9 | P | A | -2.4860 | |
| 10 | E | A | -2.5828 | |
| 11 | L | A | -1.6405 | |
| 12 | R | A | -2.0307 | |
| 13 | H | A | -1.7635 | |
| 14 | T | A | 0.0000 | |
| 15 | S | A | -1.6523 | |
| 16 | E | A | -2.2952 | |
| 17 | F | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.6709 | |
| 20 | P | A | -0.7820 | |
| 21 | T | A | -1.0638 | |
| 22 | D | A | -1.7312 | |
| 23 | L | A | -0.6545 | |
| 24 | L | A | -0.2444 | |
| 25 | Y | A | 0.0000 | |
| 26 | Y | A | -0.3598 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -0.7715 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.1925 | |
| 31 | L | A | 0.5557 | |
| 32 | I | A | 0.3512 | |
| 33 | T | A | -0.0124 | |
| 34 | R | A | -0.3296 | |
| 35 | T | A | -0.2503 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -1.0512 | |
| 38 | P | A | 0.0000 | |
| 39 | E | A | -1.5619 | |
| 40 | E | A | -2.1469 | |
| 41 | D | A | -0.8466 | |
| 42 | I | A | 1.2722 | |
| 43 | V | A | 2.1880 | |
| 44 | V | A | 1.5371 | |
| 45 | D | A | -1.0206 | |
| 46 | G | A | -0.6096 | |
| 47 | K | A | -0.2527 | |
| 48 | V | A | 1.9270 | |
| 49 | L | A | 2.6133 | |
| 50 | I | A | 1.5734 | |
| 51 | P | A | -0.0135 | |
| 52 | R | A | -1.1793 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | K | A | -1.2263 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.1701 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -0.5274 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -0.4275 | |
| 70 | T | A | -0.3287 | |
| 71 | L | A | 0.0406 | |
| 72 | P | A | -0.1458 | |
| 73 | L | A | -0.0009 | |
| 74 | P | A | -0.2942 | |
| 75 | S | A | -0.3437 | |
| 76 | A | A | -0.2198 | |
| 77 | D | A | -0.7439 | |
| 78 | A | A | -0.3814 | |
| 79 | V | A | -0.6146 | |
| 80 | D | A | -1.3808 | |
| 81 | F | A | -0.1673 | |
| 82 | S | A | -0.3592 | |
| 83 | T | A | -0.4430 | |
| 84 | E | A | -0.5128 | |
| 85 | I | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | -0.3370 | |
| 90 | L | A | 0.0000 | |
| 91 | L | A | -0.4207 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | K | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | -0.3869 | |
| 97 | R | A | 0.0000 | |
| 98 | Y | A | 0.4258 | |
| 99 | G | A | -0.1159 | |
| 100 | P | A | 0.0417 | |
| 101 | L | A | 0.5807 | |
| 102 | G | A | 0.5444 | |
| 103 | V | A | 0.7246 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.0193 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.7796 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -1.5970 | |
| 110 | N | A | -2.3298 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | R | A | -0.8829 | |
| 114 | L | A | -0.8166 | |
| 115 | G | A | -0.8112 | |
| 116 | D | A | -1.2161 | |
| 117 | V | A | -0.7437 | |
| 118 | T | A | -0.8935 | |
| 119 | N | A | -1.8390 | |
| 120 | P | A | -1.5305 | |
| 121 | T | A | -1.4115 | |
| 122 | E | A | -2.1066 | |
| 123 | P | A | -0.7915 | |
| 124 | V | A | -0.8609 | |
| 125 | H | A | -1.4275 | |
| 126 | E | A | -2.5581 | |
| 127 | T | A | -2.5294 | |
| 128 | E | A | -3.1243 | |
| 129 | D | A | -3.1867 | |
| 130 | D | A | -2.1031 | |
| 131 | T | A | -1.5948 | |
| 132 | V | A | -1.2112 | |
| 133 | D | A | -2.0999 | |
| 134 | Y | A | -1.0847 | |
| 135 | S | A | -0.5830 | |
| 136 | F | A | 0.0000 | |
| 137 | T | A | -0.1843 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -1.0400 | |
| 140 | R | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | Q | A | -0.2983 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | R | A | -0.5236 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | -0.3362 | |
| 153 | G | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | Y | A | -0.4291 | |
| 156 | V | A | -0.3157 | |
| 157 | A | A | -0.2118 | |
| 158 | P | A | -0.0599 | |
| 159 | A | A | -0.1113 | |
| 160 | A | A | -0.0676 | |
| 161 | P | A | -0.1002 | |
| 162 | A | A | -0.1524 | |
| 163 | P | A | -0.3358 | |
| 164 | G | A | -0.3359 | |
| 165 | L | A | 0.1198 | |
| 166 | P | A | -0.3016 | |
| 167 | P | A | -0.5027 | |
| 168 | G | A | -0.3567 | |
| 169 | A | A | -0.1086 | |
| 170 | P | A | 0.0394 | |
| 171 | P | A | 0.0237 | |
| 172 | P | A | 0.3041 | |
| 173 | L | A | 0.5472 | |
| 174 | E | A | -1.1960 | |
| 175 | R | A | -1.8048 | |
| 176 | V | A | -0.7099 | |
| 177 | S | A | -0.4830 | |
| 178 | T | A | -0.0834 | |
| 179 | T | A | -0.5515 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.2094 | |
| 182 | D | A | -1.2292 | |
| 183 | G | A | -0.6754 | |
| 184 | D | A | -0.6330 | |
| 185 | R | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.2851 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.8176 | |
| 190 | F | A | 0.0000 | |
| 191 | G | A | -0.3922 | |
| 192 | A | A | -0.3801 | |
| 193 | R | A | -0.6252 | |
| 194 | D | A | -0.5712 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | -1.1108 | |
| 197 | A | A | -0.3682 | |
| 198 | L | A | -0.4099 | |
| 199 | E | A | -1.4818 | |
| 200 | P | A | -1.6437 | |
| 201 | R | A | -2.4021 | |
| 202 | K | A | -2.8276 | |
| 203 | D | A | 0.0000 | |
| 204 | D | A | -1.2163 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | T | A | -0.9060 | |
| 208 | L | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -0.9166 | |
| 211 | N | A | -1.5027 | |
| 212 | T | A | -0.7492 | |
| 213 | T | A | -0.4948 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.5235 | |
| 217 | I | A | 0.0000 | |
| 218 | D | A | -0.8171 | |
| 219 | Y | A | -1.3067 | |
| 220 | D | A | -2.5337 | |
| 221 | G | A | -1.7934 | |
| 222 | M | A | 0.0000 | |
| 223 | R | A | -2.7191 | |
| 224 | A | A | -1.6088 | |
| 225 | E | A | -1.3735 | |
| 226 | P | A | -1.0812 | |
| 227 | T | A | -0.7944 | |
| 228 | G | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | R | A | -0.7471 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | T | A | -0.4399 | |
| 234 | S | A | -0.4721 | |
| 235 | D | A | -0.8385 | |
| 236 | S | A | -0.3658 | |
| 237 | Y | A | 0.0446 | |
| 238 | S | A | -0.1274 | |
| 239 | S | A | -0.7122 | |
| 240 | S | A | -1.4552 | |
| 241 | R | A | -2.1816 | |
| 242 | S | A | -1.2123 | |
| 243 | V | A | -0.3572 | |
| 244 | E | A | -1.0339 | |
| 245 | N | A | -0.6133 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | L | A | -0.1647 | |
| 249 | D | A | -1.2171 | |
| 250 | G | A | -0.8196 | |
| 251 | P | A | -0.1027 | |
| 252 | D | A | 0.7710 | |
| 253 | L | A | 1.9975 | |
| 254 | V | A | 2.3359 | |
| 255 | P | A | 0.7326 | |
| 256 | L | A | 0.6759 | |
| 257 | P | A | -0.3494 | |
| 258 | D | A | -1.8872 | |
| 259 | A | A | -0.6234 | |
| 260 | P | A | -0.6580 | |
| 261 | P | A | -0.1784 | |
| 262 | P | A | 0.0958 | |
| 263 | S | A | 0.3172 | |
| 264 | P | A | 0.7145 | |
| 265 | L | A | 1.9094 | |
| 266 | Y | A | 1.5606 | |
| 267 | V | A | 1.9330 | |
| 268 | P | A | 0.5912 | |
| 269 | P | A | 0.5316 | |
| 270 | P | A | -0.1703 | |
| 271 | P | A | -0.1301 | |
| 272 | S | A | -0.1431 | |
| 273 | S | A | 0.2367 | |
| 274 | P | A | 0.1648 | |
| 275 | Y | A | 1.0614 | |
| 276 | A | A | 0.9820 | |
| 277 | V | A | 1.5349 | |
| 278 | R | A | 0.4509 | |
| 279 | P | A | -0.0217 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.3048 | |
| 282 | R | A | 0.4457 | |
| 283 | Y | A | 1.1046 | |
| 284 | F | A | 0.3705 | |
| 285 | S | A | -0.3221 | |
| 286 | V | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -1.1587 | |
| 289 | R | A | -0.9214 | |
| 290 | G | A | -0.6056 | |
| 291 | A | A | 0.0553 | |
| 292 | I | A | 0.2788 | |
| 293 | T | A | -0.0893 | |
| 294 | S | A | -0.2945 | |
| 295 | A | A | -0.3514 | |
| 296 | D | A | -0.5558 | |
| 297 | E | A | -0.6301 | |
| 298 | L | A | -0.6460 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.3538 | |
| 301 | K | A | -1.9138 | |
| 302 | P | A | -0.9147 | |
| 303 | V | A | -0.2859 | |
| 304 | W | A | -0.3678 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.5082 | |
| 307 | K | A | -2.6933 | |
| 308 | T | A | 0.0000 | |
| 309 | P | A | -1.1123 | |
| 310 | G | A | -1.2403 | |
| 311 | K | A | -1.4095 | |
| 312 | N | A | 0.0000 | |
| 313 | D | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | N | A | -0.5627 | |
| 319 | N | A | -0.5326 | |
| 320 | Q | A | -0.6142 | |
| 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 | 0.4684 | |
| 333 | I | A | 0.4583 | |
| 334 | A | A | 0.3108 | |
| 335 | T | A | 0.0911 | |
| 336 | I | A | 0.7775 | |
| 337 | K | A | 0.1443 | |
| 338 | V | A | 1.9496 | |
| 339 | Q | A | 1.7892 | |
| 340 | I | A | 2.5376 | |
| 341 | S | A | 1.2172 | |
| 342 | T | A | 0.5905 | |
| 343 | P | A | 0.4505 | |
| 344 | L | A | 1.5906 | |
| 345 | P | A | 0.6542 | |
| 346 | N | A | 0.0963 | |
| 347 | V | A | 1.7427 | |
| 348 | Y | A | 1.5877 | |
| 349 | D | A | 0.1110 | |
| 350 | P | A | 0.0694 | |
| 351 | S | A | 0.1931 | |
| 352 | N | A | 1.1435 | |
| 353 | Y | A | 1.7594 | |
| 354 | V | A | 2.2370 | |
| 355 | T | A | 0.6190 | |
| 356 | A | A | 0.3299 | |
| 357 | K | A | -0.6527 | |
| 358 | L | A | 0.1043 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.1126 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | 0.0656 | |
| 363 | Y | A | 0.0000 | |
| 364 | K | A | -0.3165 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Q | A | -0.4416 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | R | A | -0.6020 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.5562 | |
| 376 | L | A | -0.3358 | |
| 377 | T | A | -0.8058 | |
| 378 | P | A | -1.2643 | |
| 379 | E | A | -2.1155 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -1.3513 | |
| 382 | E | A | -2.2060 | |
| 383 | Y | A | -1.9958 | |
| 384 | L | A | 0.0000 | |
| 385 | R | A | -2.2699 | |
| 386 | R | A | -2.5023 | |
| 387 | L | A | -1.1669 | |
| 388 | D | A | 0.0000 | |
| 389 | P | A | -1.4568 | |
| 390 | R | A | -1.4931 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | V | A | -1.0890 | |
| 394 | N | A | -1.3663 | |
| 395 | A | A | 0.0000 | |
| 396 | K | A | -1.9199 | |
| 397 | L | A | -1.1337 | |
| 398 | P | A | -1.2450 | |
| 399 | D | A | -1.9384 | |
| 400 | I | A | -0.6418 | |
| 401 | P | A | -0.3338 | |
| 402 | A | A | -0.4106 | |
| 403 | V | A | 0.4421 | |
| 404 | E | A | -2.0434 | |
| 405 | R | A | -2.4670 | |
| 406 | A | A | -1.5275 | |
| 407 | D | A | -1.5512 | |
| 408 | P | A | -0.9410 | |
| 409 | Y | A | -0.8698 | |
| 410 | A | A | -0.8987 | |
| 411 | G | A | -1.3563 | |
| 412 | K | A | -2.0636 | |
| 413 | K | A | -2.5504 | |
| 414 | F | A | -1.4675 | |
| 415 | L | A | -1.1477 | |
| 416 | E | A | -2.2519 | |
| 417 | I | A | -1.6561 | |
| 418 | D | A | -2.4453 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.3504 | |
| 421 | N | A | -1.8181 | |
| 422 | K | A | -1.6437 | |
| 423 | L | A | -0.5392 | |
| 424 | S | A | -0.7181 | |
| 425 | T | A | -0.4836 | |
| 426 | D | A | -1.3140 | |
| 427 | L | A | 0.0000 | |
| 428 | S | A | -1.5158 | |
| 429 | K | A | -2.5786 | |
| 430 | S | A | 0.0000 | |
| 431 | E | A | -2.3675 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | Q | A | -1.7261 | |
| 435 | L | A | -0.6394 | |
| 436 | Y | A | -0.2185 | |
| 437 | L | A | 0.3003 | |
| 438 | N | A | -1.3809 | |
| 439 | R | A | -1.8613 |
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