| Chain sequence(s) |
A: MLGPLPLNPEPELLPTSSYVEPTDLLCIAETELITETGDPTSDTVVNGKVVTPRVSAWQWRVYKLTLPDPNTMPLPSEDFVDFSTEILIWRLRAFEIGRFGPLGVGSVGHPNFNKFGDVDNPTEYQHETEDVTQNFSFTPVLRQAYIIGCSPPIGKYVAPAPPCPGLPPGACPPLTVVHTLIEHGDLCDIGFGAKDFAALDPSRDNVPDIILNTTCKVIDLEGMEAEPYGFRMFTHDEYRQSKAVATYRRSGPDLHPLPSDPPPSPLYVKPPPSSPYWELPSYRLFTLPDRGAVTESQELFNRPIFLEKAPGLNDGICWHNRLYVTVLDNTRATIATTTTKTSTPAPNVYDASNYVTSKTYTREYQLSFIFQLCRIPLTPEVLAHLERLDPRILEEADLPFIPPRERPDPLAGKKFHEIDLTDKLSRDLEKYPLGRLYLNR
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 | M | A | 1.6237 | |
| 2 | L | A | 2.0276 | |
| 3 | G | A | 0.8018 | |
| 4 | P | A | 0.9467 | |
| 5 | L | A | 1.6956 | |
| 6 | P | A | 0.6986 | |
| 7 | L | A | 0.8602 | |
| 8 | N | A | -1.0446 | |
| 9 | P | A | -1.7960 | |
| 10 | E | A | -2.4963 | |
| 11 | P | A | -2.1277 | |
| 12 | E | A | -1.8172 | |
| 13 | L | A | 0.1561 | |
| 14 | L | A | 0.5009 | |
| 15 | P | A | 0.1711 | |
| 16 | T | A | 0.0000 | |
| 17 | S | A | -0.7623 | |
| 18 | S | A | -0.4115 | |
| 19 | Y | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | E | A | -1.8771 | |
| 22 | P | A | -1.5625 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -1.7260 | |
| 25 | L | A | -0.8632 | |
| 26 | L | A | -0.6945 | |
| 27 | C | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -0.8173 | |
| 31 | T | A | 0.0000 | |
| 32 | E | A | -1.3673 | |
| 33 | L | A | 0.2582 | |
| 34 | I | A | 0.1280 | |
| 35 | T | A | -0.0974 | |
| 36 | E | A | -0.2746 | |
| 37 | T | A | -0.3862 | |
| 38 | G | A | 0.0000 | |
| 39 | D | A | -0.9527 | |
| 40 | P | A | 0.0000 | |
| 41 | T | A | -0.7217 | |
| 42 | S | A | -0.8747 | |
| 43 | D | A | -0.4501 | |
| 44 | T | A | 1.0527 | |
| 45 | V | A | 2.2781 | |
| 46 | V | A | 1.7517 | |
| 47 | N | A | -0.4071 | |
| 48 | G | A | -0.2991 | |
| 49 | K | A | -0.0781 | |
| 50 | V | A | 2.1151 | |
| 51 | V | A | 2.4961 | |
| 52 | T | A | 1.0790 | |
| 53 | P | A | 0.0013 | |
| 54 | R | A | -0.7005 | |
| 55 | V | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | W | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | K | A | -1.4052 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -1.3712 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | -1.1332 | |
| 69 | D | A | -1.0316 | |
| 70 | P | A | 0.0000 | |
| 71 | N | A | -0.5071 | |
| 72 | T | A | -0.3292 | |
| 73 | M | A | -0.1823 | |
| 74 | P | A | -0.3743 | |
| 75 | L | A | -0.5672 | |
| 76 | P | A | -0.7833 | |
| 77 | S | A | -1.5925 | |
| 78 | E | A | -2.9322 | |
| 79 | D | A | -2.8350 | |
| 80 | F | A | -1.5236 | |
| 81 | V | A | 0.0000 | |
| 82 | D | A | -1.8554 | |
| 83 | F | A | -0.0473 | |
| 84 | S | A | -0.2746 | |
| 85 | T | A | -0.3747 | |
| 86 | E | A | -0.5470 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | R | A | -0.4523 | |
| 92 | L | A | 0.0000 | |
| 93 | R | A | -0.7818 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | E | A | -0.9783 | |
| 97 | I | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | F | A | 0.6120 | |
| 101 | G | A | -0.0681 | |
| 102 | P | A | 0.0932 | |
| 103 | L | A | 0.3012 | |
| 104 | G | A | 0.7623 | |
| 105 | V | A | 1.3837 | |
| 106 | G | A | 0.0000 | |
| 107 | S | A | 0.0952 | |
| 108 | V | A | 0.0000 | |
| 109 | G | A | -0.7686 | |
| 110 | H | A | 0.0000 | |
| 111 | P | A | -1.9069 | |
| 112 | N | A | -2.8904 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | K | A | -0.8862 | |
| 116 | F | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | D | A | -1.8054 | |
| 119 | V | A | -1.0444 | |
| 120 | D | A | -2.2822 | |
| 121 | N | A | -2.5996 | |
| 122 | P | A | -1.9963 | |
| 123 | T | A | -1.6504 | |
| 124 | E | A | -2.1238 | |
| 125 | Y | A | -0.7175 | |
| 126 | Q | A | -1.4592 | |
| 127 | H | A | -1.6561 | |
| 128 | E | A | -2.2667 | |
| 129 | T | A | -1.8575 | |
| 130 | E | A | -2.9169 | |
| 131 | D | A | -2.9230 | |
| 132 | V | A | -1.6672 | |
| 133 | T | A | -2.0881 | |
| 134 | Q | A | -2.5716 | |
| 135 | N | A | -2.4182 | |
| 136 | F | A | -1.2971 | |
| 137 | S | A | -0.6947 | |
| 138 | F | A | 0.0000 | |
| 139 | T | A | 0.1424 | |
| 140 | P | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | R | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | S | A | -0.1277 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | I | A | 0.0450 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | -0.2233 | |
| 157 | Y | A | 0.1522 | |
| 158 | V | A | 1.0146 | |
| 159 | A | A | 0.0000 | |
| 160 | P | A | 0.7745 | |
| 161 | A | A | 0.6978 | |
| 162 | P | A | -0.0670 | |
| 163 | P | A | 0.2348 | |
| 164 | C | A | 0.4787 | |
| 165 | P | A | -0.0133 | |
| 166 | G | A | -0.1263 | |
| 167 | L | A | 0.4867 | |
| 168 | P | A | -0.1572 | |
| 169 | P | A | -0.3716 | |
| 170 | G | A | -0.1177 | |
| 171 | A | A | 0.3992 | |
| 172 | C | A | 1.0570 | |
| 173 | P | A | 0.6635 | |
| 174 | P | A | 0.7500 | |
| 175 | L | A | 1.9451 | |
| 176 | T | A | 1.5810 | |
| 177 | V | A | 2.0164 | |
| 178 | V | A | 0.8045 | |
| 179 | H | A | -0.4304 | |
| 180 | T | A | -0.1719 | |
| 181 | L | A | -0.3869 | |
| 182 | I | A | 0.0000 | |
| 183 | E | A | -1.1617 | |
| 184 | H | A | -1.2878 | |
| 185 | G | A | -0.7394 | |
| 186 | D | A | -0.6929 | |
| 187 | L | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | D | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | G | A | -0.3833 | |
| 192 | F | A | -0.0561 | |
| 193 | G | A | -0.2403 | |
| 194 | A | A | -0.2185 | |
| 195 | K | A | -0.2279 | |
| 196 | D | A | -0.5931 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | -0.9705 | |
| 199 | A | A | -0.2698 | |
| 200 | L | A | -0.0302 | |
| 201 | D | A | 0.0000 | |
| 202 | P | A | -1.0888 | |
| 203 | S | A | -1.3138 | |
| 204 | R | A | -2.6384 | |
| 205 | D | A | -2.0670 | |
| 206 | N | A | -1.2854 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | D | A | -1.2413 | |
| 210 | I | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | -1.1619 | |
| 213 | N | A | -1.5739 | |
| 214 | T | A | -0.8285 | |
| 215 | T | A | -0.6017 | |
| 216 | C | A | 0.0000 | |
| 217 | K | A | -0.4689 | |
| 218 | V | A | -0.1691 | |
| 219 | I | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | L | A | -1.0907 | |
| 222 | E | A | -2.3952 | |
| 223 | G | A | -1.7922 | |
| 224 | M | A | 0.0000 | |
| 225 | E | A | -2.6309 | |
| 226 | A | A | -1.6298 | |
| 227 | E | A | -1.3595 | |
| 228 | P | A | -0.4322 | |
| 229 | Y | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | F | A | -0.1625 | |
| 232 | R | A | -0.4674 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | T | A | -0.5868 | |
| 236 | H | A | -0.8057 | |
| 237 | D | A | -1.1916 | |
| 238 | E | A | -1.1773 | |
| 239 | Y | A | -0.8413 | |
| 240 | R | A | -1.3867 | |
| 241 | Q | A | -1.3784 | |
| 242 | S | A | -1.4296 | |
| 243 | K | A | -1.5545 | |
| 244 | A | A | -0.0816 | |
| 245 | V | A | 1.0232 | |
| 246 | A | A | -0.0035 | |
| 247 | T | A | -0.0331 | |
| 248 | Y | A | 0.0000 | |
| 249 | R | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | S | A | -0.8345 | |
| 252 | G | A | -0.7666 | |
| 253 | P | A | -0.4291 | |
| 254 | D | A | -0.1138 | |
| 255 | L | A | 0.6792 | |
| 256 | H | A | -0.4096 | |
| 257 | P | A | -0.2021 | |
| 258 | L | A | 0.2830 | |
| 259 | P | A | -0.6789 | |
| 260 | S | A | -1.0010 | |
| 261 | D | A | -2.1992 | |
| 262 | P | A | -1.6441 | |
| 263 | P | A | -0.6894 | |
| 264 | P | A | -0.2665 | |
| 265 | S | A | 0.1571 | |
| 266 | P | A | 0.7409 | |
| 267 | L | A | 1.7911 | |
| 268 | Y | A | 1.5845 | |
| 269 | V | A | 1.7871 | |
| 270 | K | A | 0.2978 | |
| 271 | P | A | 0.2392 | |
| 272 | P | A | -0.2961 | |
| 273 | P | A | -0.5525 | |
| 274 | S | A | -0.2414 | |
| 275 | S | A | -0.1797 | |
| 276 | P | A | -0.0179 | |
| 277 | Y | A | 0.5910 | |
| 278 | W | A | -0.1125 | |
| 279 | E | A | -1.3169 | |
| 280 | L | A | -0.0185 | |
| 281 | P | A | -0.2544 | |
| 282 | S | A | 0.0000 | |
| 283 | Y | A | 0.8650 | |
| 284 | R | A | 0.6646 | |
| 285 | L | A | 1.5430 | |
| 286 | F | A | 0.9323 | |
| 287 | T | A | 0.4168 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | D | A | -0.6440 | |
| 291 | R | A | 0.0000 | |
| 292 | G | A | -0.3284 | |
| 293 | A | A | 0.0196 | |
| 294 | V | A | 0.0100 | |
| 295 | T | A | -0.8956 | |
| 296 | E | A | -1.9300 | |
| 297 | S | A | -1.2582 | |
| 298 | Q | A | -0.9523 | |
| 299 | E | A | -1.0817 | |
| 300 | L | A | -0.8736 | |
| 301 | F | A | 0.0000 | |
| 302 | N | A | -1.4816 | |
| 303 | R | A | -2.0639 | |
| 304 | P | A | -0.7755 | |
| 305 | I | A | -0.2540 | |
| 306 | F | A | -0.5098 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -2.5882 | |
| 309 | K | A | -2.6853 | |
| 310 | A | A | 0.0000 | |
| 311 | P | A | -1.0308 | |
| 312 | G | A | -0.7858 | |
| 313 | L | A | 0.1725 | |
| 314 | N | A | 0.0000 | |
| 315 | D | A | -1.0835 | |
| 316 | G | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | C | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | H | A | -0.9966 | |
| 321 | N | A | -0.9347 | |
| 322 | R | A | -0.9618 | |
| 323 | L | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | R | A | 0.3406 | |
| 333 | A | A | 0.0000 | |
| 334 | T | A | 0.5410 | |
| 335 | I | A | 0.3409 | |
| 336 | A | A | -0.0954 | |
| 337 | T | A | -0.3567 | |
| 338 | T | A | -0.0603 | |
| 339 | T | A | -0.1079 | |
| 340 | T | A | -0.4110 | |
| 341 | K | A | -1.4013 | |
| 342 | T | A | -0.6166 | |
| 343 | S | A | -0.8086 | |
| 344 | T | A | -0.5654 | |
| 345 | P | A | -0.2980 | |
| 346 | A | A | 0.1406 | |
| 347 | P | A | -0.1280 | |
| 348 | N | A | -0.3266 | |
| 349 | V | A | 1.4521 | |
| 350 | Y | A | 1.2715 | |
| 351 | D | A | -0.2498 | |
| 352 | A | A | -0.0045 | |
| 353 | S | A | -0.3231 | |
| 354 | N | A | -0.5063 | |
| 355 | Y | A | 0.1482 | |
| 356 | V | A | 1.1597 | |
| 357 | T | A | 0.2769 | |
| 358 | S | A | -0.2479 | |
| 359 | K | A | -0.8508 | |
| 360 | T | A | -0.4613 | |
| 361 | Y | A | 0.0000 | |
| 362 | T | A | -0.1862 | |
| 363 | R | A | 0.0000 | |
| 364 | E | A | -0.0262 | |
| 365 | Y | A | 0.0000 | |
| 366 | Q | A | -0.3992 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | Q | A | -0.5371 | |
| 373 | L | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | -1.1498 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | -0.6992 | |
| 378 | L | A | -0.1632 | |
| 379 | T | A | -0.6107 | |
| 380 | P | A | -0.9743 | |
| 381 | E | A | -1.8393 | |
| 382 | V | A | -0.9022 | |
| 383 | L | A | -0.7501 | |
| 384 | A | A | -1.1737 | |
| 385 | H | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | E | A | -1.9222 | |
| 388 | R | A | -2.2140 | |
| 389 | L | A | -0.9072 | |
| 390 | D | A | -1.1782 | |
| 391 | P | A | -1.6899 | |
| 392 | R | A | -2.3062 | |
| 393 | I | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | E | A | -2.4706 | |
| 396 | E | A | -2.7331 | |
| 397 | A | A | -2.0205 | |
| 398 | D | A | -2.2913 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | 0.2323 | |
| 401 | F | A | 1.6166 | |
| 402 | I | A | 0.1930 | |
| 403 | P | A | -0.7597 | |
| 404 | P | A | -2.2549 | |
| 405 | R | A | -3.3425 | |
| 406 | E | A | -3.6231 | |
| 407 | R | A | -3.0451 | |
| 408 | P | A | -1.9527 | |
| 409 | D | A | -1.7831 | |
| 410 | P | A | -1.0518 | |
| 411 | L | A | -0.8535 | |
| 412 | A | A | -1.0528 | |
| 413 | G | A | -1.3990 | |
| 414 | K | A | -1.9430 | |
| 415 | K | A | -2.6078 | |
| 416 | F | A | -1.6930 | |
| 417 | H | A | -1.6748 | |
| 418 | E | A | -2.5185 | |
| 419 | I | A | -1.8383 | |
| 420 | D | A | -2.6597 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.6510 | |
| 423 | D | A | -2.3102 | |
| 424 | K | A | -1.8831 | |
| 425 | L | A | -0.9780 | |
| 426 | S | A | -1.5066 | |
| 427 | R | A | -2.2030 | |
| 428 | D | A | -3.1896 | |
| 429 | L | A | 0.0000 | |
| 430 | E | A | -3.5248 | |
| 431 | K | A | -3.3746 | |
| 432 | Y | A | -1.8275 | |
| 433 | P | A | -1.1027 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | R | A | -2.2832 | |
| 437 | L | A | -0.4502 | |
| 438 | Y | A | -0.3673 | |
| 439 | L | A | -0.4593 | |
| 440 | N | A | -1.7963 | |
| 441 | R | A | -1.9383 |
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