| Chain sequence(s) |
A: MAAPRMPPSRLSGIMVPAPIQDLEALRALTALFKEQRNRETAPRTIFQRVLDILKKSTHAVELACRDPSQVEHLASSLQLITECFRCLRNACIECSVNQNSIRNLDTIGVAVDLVLLFRELRVEQDSLLTAFRCGLQFLGNVASRNEESQSIVWVHAFPELFMSCLNHPDKKIVAYCSMILFTSLNAERMKDLEENLNIAINVIEAHQKHPASEWPFLIISDHFLKSPELVEAMYGKLSNQERITLLDIVIAKLVGEEQLTKDDISIFVRHAELIANSFMDQCRNVLKLTSEPHTEDKEALVTIRLLDVLCEMTSNTELLGYLQVFPGLMERVIDVLRVIHEVGKESTNIFSPSDSLKAEGDIEHMTEGFKSHLIRLIGNLCYKNKENQDKVNELDGIPLILDSSNIDDNNPFMMQWVVYAVRNLTEDNSQNQDVIAKMEEQGLADASLLKKMGFEIEKSGDKLILKSNNDIPPP
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[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 (00:07:05)
[INFO] Main: Simulation completed successfully. (00:07:08)
|
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 | 0.5876 | |
| 2 | A | A | 0.0293 | |
| 3 | A | A | -0.2785 | |
| 4 | P | A | -0.9659 | |
| 5 | R | A | -1.8933 | |
| 6 | M | A | -1.1068 | |
| 7 | P | A | -1.0567 | |
| 8 | P | A | -0.3336 | |
| 9 | S | A | -0.0977 | |
| 10 | R | A | -0.4208 | |
| 11 | L | A | 1.1534 | |
| 12 | S | A | 0.4999 | |
| 13 | G | A | 0.4689 | |
| 14 | I | A | 2.0394 | |
| 15 | M | A | 1.4798 | |
| 16 | V | A | 0.0000 | |
| 17 | P | A | 0.3733 | |
| 18 | A | A | 0.1801 | |
| 19 | P | A | -0.1657 | |
| 20 | I | A | 0.3143 | |
| 21 | Q | A | -0.7413 | |
| 22 | D | A | -1.2860 | |
| 23 | L | A | -1.1801 | |
| 24 | E | A | -2.2631 | |
| 25 | A | A | -1.6954 | |
| 26 | L | A | 0.0000 | |
| 27 | R | A | -2.4625 | |
| 28 | A | A | -1.1816 | |
| 29 | L | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | A | A | -0.9189 | |
| 32 | L | A | -0.8465 | |
| 33 | F | A | 0.0000 | |
| 34 | K | A | -2.4173 | |
| 35 | E | A | -2.9785 | |
| 36 | Q | A | -3.3564 | |
| 37 | R | A | -3.4786 | |
| 38 | N | A | -2.3130 | |
| 39 | R | A | 0.0000 | |
| 40 | E | A | -2.7808 | |
| 41 | T | A | -1.4758 | |
| 42 | A | A | 0.0000 | |
| 43 | P | A | -1.0124 | |
| 44 | R | A | -2.2787 | |
| 45 | T | A | -1.6556 | |
| 46 | I | A | 0.0000 | |
| 47 | F | A | 0.0000 | |
| 48 | Q | A | -2.1844 | |
| 49 | R | A | -2.7410 | |
| 50 | V | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.1728 | |
| 53 | I | A | -1.6931 | |
| 54 | L | A | 0.0000 | |
| 55 | K | A | -2.6698 | |
| 56 | K | A | -2.7173 | |
| 57 | S | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | H | A | -1.7841 | |
| 60 | A | A | -1.0434 | |
| 61 | V | A | 0.0000 | |
| 62 | E | A | -1.1771 | |
| 63 | L | A | -0.6229 | |
| 64 | A | A | 0.0000 | |
| 65 | C | A | -1.9098 | |
| 66 | R | A | -2.3268 | |
| 67 | D | A | -1.7756 | |
| 68 | P | A | -1.4824 | |
| 69 | S | A | -1.4032 | |
| 70 | Q | A | -1.7300 | |
| 71 | V | A | -1.5750 | |
| 72 | E | A | -2.3778 | |
| 73 | H | A | -1.9725 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -1.0879 | |
| 76 | S | A | -0.6188 | |
| 77 | S | A | -0.7367 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.5096 | |
| 80 | L | A | -0.7004 | |
| 81 | I | A | 0.0000 | |
| 82 | T | A | 0.0000 | |
| 83 | E | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | R | A | -1.1341 | |
| 87 | C | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -0.6640 | |
| 90 | N | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | I | A | -0.8871 | |
| 94 | E | A | -2.0253 | |
| 95 | C | A | 0.0000 | |
| 96 | S | A | -0.4668 | |
| 97 | V | A | 0.5385 | |
| 98 | N | A | 0.0000 | |
| 99 | Q | A | 0.0000 | |
| 100 | N | A | -0.8679 | |
| 101 | S | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | R | A | 0.0000 | |
| 104 | N | A | -2.0583 | |
| 105 | L | A | -1.6111 | |
| 106 | D | A | -1.9832 | |
| 107 | T | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | G | A | -0.7155 | |
| 110 | V | A | -1.0962 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | D | A | -1.6510 | |
| 114 | L | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | L | A | -1.4868 | |
| 117 | L | A | -1.5912 | |
| 118 | F | A | 0.0000 | |
| 119 | R | A | -2.8363 | |
| 120 | E | A | -3.2448 | |
| 121 | L | A | 0.0000 | |
| 122 | R | A | -2.9174 | |
| 123 | V | A | -2.0224 | |
| 124 | E | A | -2.7007 | |
| 125 | Q | A | -2.4772 | |
| 126 | D | A | -2.4659 | |
| 127 | S | A | -1.5546 | |
| 128 | L | A | 0.0000 | |
| 129 | L | A | -1.3324 | |
| 130 | T | A | -0.8428 | |
| 131 | A | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | R | A | -0.8484 | |
| 134 | C | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | Q | A | -0.6136 | |
| 138 | F | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | N | A | -0.8181 | |
| 142 | V | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | S | A | -1.5736 | |
| 145 | R | A | -2.9624 | |
| 146 | N | A | -2.8434 | |
| 147 | E | A | -3.1962 | |
| 148 | E | A | -2.9379 | |
| 149 | S | A | 0.0000 | |
| 150 | Q | A | -1.3447 | |
| 151 | S | A | -0.6075 | |
| 152 | I | A | 0.1046 | |
| 153 | V | A | 0.0000 | |
| 154 | W | A | 0.0000 | |
| 155 | V | A | 1.7117 | |
| 156 | H | A | -0.0959 | |
| 157 | A | A | 0.0000 | |
| 158 | F | A | -0.1207 | |
| 159 | P | A | -0.8098 | |
| 160 | E | A | -1.6620 | |
| 161 | L | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | M | A | -0.6039 | |
| 164 | S | A | -0.7969 | |
| 165 | C | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | N | A | -1.1599 | |
| 168 | H | A | -1.2345 | |
| 169 | P | A | -1.0836 | |
| 170 | D | A | -1.5082 | |
| 171 | K | A | -2.4106 | |
| 172 | K | A | -1.8525 | |
| 173 | I | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | A | A | -0.9959 | |
| 176 | Y | A | -0.2970 | |
| 177 | C | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | M | A | 0.1359 | |
| 180 | I | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | 0.4615 | |
| 183 | T | A | -0.4424 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | N | A | -1.1686 | |
| 187 | A | A | -1.4952 | |
| 188 | E | A | -2.4788 | |
| 189 | R | A | 0.0000 | |
| 190 | M | A | -2.2427 | |
| 191 | K | A | -3.6101 | |
| 192 | D | A | -2.8183 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -3.3232 | |
| 195 | E | A | -3.1472 | |
| 196 | N | A | -2.0163 | |
| 197 | L | A | -1.6395 | |
| 198 | N | A | -1.7056 | |
| 199 | I | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | I | A | -0.7038 | |
| 202 | N | A | -0.6462 | |
| 203 | V | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | E | A | -1.1710 | |
| 206 | A | A | 0.0000 | |
| 207 | H | A | -0.9630 | |
| 208 | Q | A | -1.3086 | |
| 209 | K | A | -1.9080 | |
| 210 | H | A | -1.4454 | |
| 211 | P | A | -0.9732 | |
| 212 | A | A | -0.6732 | |
| 213 | S | A | 0.0000 | |
| 214 | E | A | -1.4000 | |
| 215 | W | A | -0.1502 | |
| 216 | P | A | 0.0000 | |
| 217 | F | A | 0.1476 | |
| 218 | L | A | 0.1951 | |
| 219 | I | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | S | A | -0.3085 | |
| 222 | D | A | -0.8003 | |
| 223 | H | A | -0.7375 | |
| 224 | F | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | K | A | -1.9766 | |
| 227 | S | A | -2.0638 | |
| 228 | P | A | -2.0745 | |
| 229 | E | A | -3.2019 | |
| 230 | L | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | E | A | -2.9970 | |
| 233 | A | A | -2.1777 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | G | A | -1.7579 | |
| 237 | K | A | -2.3538 | |
| 238 | L | A | 0.0000 | |
| 239 | S | A | -1.2404 | |
| 240 | N | A | -1.4150 | |
| 241 | Q | A | -1.2659 | |
| 242 | E | A | -1.1374 | |
| 243 | R | A | -1.2359 | |
| 244 | I | A | -0.8729 | |
| 245 | T | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | D | A | -0.9141 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | I | A | 0.3062 | |
| 252 | A | A | 0.1256 | |
| 253 | K | A | -0.5336 | |
| 254 | L | A | 0.0208 | |
| 255 | V | A | 0.7914 | |
| 256 | G | A | -1.0237 | |
| 257 | E | A | -2.6911 | |
| 258 | E | A | -3.0950 | |
| 259 | Q | A | -2.5575 | |
| 260 | L | A | 0.0000 | |
| 261 | T | A | -2.0380 | |
| 262 | K | A | -2.9166 | |
| 263 | D | A | -2.8117 | |
| 264 | D | A | -1.8020 | |
| 265 | I | A | -1.6737 | |
| 266 | S | A | -1.5701 | |
| 267 | I | A | -1.2503 | |
| 268 | F | A | 0.0000 | |
| 269 | V | A | -0.8123 | |
| 270 | R | A | -2.2861 | |
| 271 | H | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | E | A | -1.7125 | |
| 274 | L | A | -1.3188 | |
| 275 | I | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | N | A | -1.3473 | |
| 278 | S | A | -1.0841 | |
| 279 | F | A | 0.0000 | |
| 280 | M | A | -1.4333 | |
| 281 | D | A | -2.2972 | |
| 282 | Q | A | -1.7023 | |
| 283 | C | A | 0.0000 | |
| 284 | R | A | -2.0436 | |
| 285 | N | A | -1.8620 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | -1.0237 | |
| 288 | K | A | -2.4367 | |
| 289 | L | A | 0.0000 | |
| 290 | T | A | -1.1877 | |
| 291 | S | A | -1.6792 | |
| 292 | E | A | -2.9052 | |
| 293 | P | A | -2.2541 | |
| 294 | H | A | -2.2313 | |
| 295 | T | A | -2.4594 | |
| 296 | E | A | -2.7212 | |
| 297 | D | A | -2.5715 | |
| 298 | K | A | -2.1036 | |
| 299 | E | A | -2.1297 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | R | A | -0.4789 | |
| 306 | L | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | C | A | 0.0000 | |
| 312 | E | A | 0.0135 | |
| 313 | M | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | S | A | -0.4592 | |
| 316 | N | A | -0.8880 | |
| 317 | T | A | -1.0550 | |
| 318 | E | A | -1.9700 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | G | A | -0.5064 | |
| 322 | Y | A | 0.0112 | |
| 323 | L | A | 0.0000 | |
| 324 | Q | A | 0.2753 | |
| 325 | V | A | 1.3763 | |
| 326 | F | A | 0.0000 | |
| 327 | P | A | -0.1039 | |
| 328 | G | A | -0.4739 | |
| 329 | L | A | 0.0000 | |
| 330 | M | A | 0.0000 | |
| 331 | E | A | -1.1623 | |
| 332 | R | A | -1.5545 | |
| 333 | V | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | D | A | -1.1801 | |
| 336 | V | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | R | A | -1.3651 | |
| 339 | V | A | -0.7672 | |
| 340 | I | A | 0.0000 | |
| 341 | H | A | -1.9272 | |
| 342 | E | A | -2.7879 | |
| 343 | V | A | -1.6426 | |
| 344 | G | A | 0.0000 | |
| 345 | K | A | -3.2196 | |
| 346 | E | A | -3.1050 | |
| 347 | S | A | -1.7554 | |
| 348 | T | A | -0.8681 | |
| 349 | N | A | -0.8213 | |
| 350 | I | A | -0.4208 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | -1.2973 | |
| 353 | P | A | -1.0851 | |
| 354 | S | A | -1.1891 | |
| 355 | D | A | -1.8871 | |
| 356 | S | A | -1.0854 | |
| 357 | L | A | -0.3585 | |
| 358 | K | A | -1.9932 | |
| 359 | A | A | -1.5547 | |
| 360 | E | A | -2.7371 | |
| 361 | G | A | -2.4769 | |
| 362 | D | A | -2.5718 | |
| 363 | I | A | -1.7788 | |
| 364 | E | A | -2.7384 | |
| 365 | H | A | -2.3680 | |
| 366 | M | A | -1.1081 | |
| 367 | T | A | -0.8995 | |
| 368 | E | A | -1.0948 | |
| 369 | G | A | -0.4716 | |
| 370 | F | A | 0.0000 | |
| 371 | K | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | H | A | -0.0880 | |
| 374 | L | A | 0.0000 | |
| 375 | I | A | 0.0000 | |
| 376 | R | A | -0.1383 | |
| 377 | L | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | G | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | C | A | 0.0000 | |
| 383 | Y | A | -1.1331 | |
| 384 | K | A | -2.8001 | |
| 385 | N | A | -2.4964 | |
| 386 | K | A | -3.7201 | |
| 387 | E | A | -3.0698 | |
| 388 | N | A | 0.0000 | |
| 389 | Q | A | 0.0000 | |
| 390 | D | A | -2.6837 | |
| 391 | K | A | -2.5934 | |
| 392 | V | A | 0.0000 | |
| 393 | N | A | -2.2644 | |
| 394 | E | A | -2.6092 | |
| 395 | L | A | -1.7755 | |
| 396 | D | A | -2.3629 | |
| 397 | G | A | 0.0000 | |
| 398 | I | A | 0.0000 | |
| 399 | P | A | -0.7397 | |
| 400 | L | A | 0.0000 | |
| 401 | I | A | 0.0000 | |
| 402 | L | A | -0.2915 | |
| 403 | D | A | -1.9484 | |
| 404 | S | A | 0.0000 | |
| 405 | S | A | -0.1800 | |
| 406 | N | A | -0.9575 | |
| 407 | I | A | 0.9815 | |
| 408 | D | A | -0.1648 | |
| 409 | D | A | -0.8802 | |
| 410 | N | A | -1.0179 | |
| 411 | N | A | 0.0000 | |
| 412 | P | A | 0.7312 | |
| 413 | F | A | 1.6738 | |
| 414 | M | A | 0.0000 | |
| 415 | M | A | 1.2287 | |
| 416 | Q | A | 0.4972 | |
| 417 | W | A | 0.7934 | |
| 418 | V | A | 0.0000 | |
| 419 | V | A | 1.4526 | |
| 420 | Y | A | 0.6350 | |
| 421 | A | A | 0.0000 | |
| 422 | V | A | -0.0287 | |
| 423 | R | A | -1.3879 | |
| 424 | N | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | T | A | -2.5254 | |
| 427 | E | A | -3.1553 | |
| 428 | D | A | -3.4291 | |
| 429 | N | A | 0.0000 | |
| 430 | S | A | -2.0823 | |
| 431 | Q | A | -2.3045 | |
| 432 | N | A | 0.0000 | |
| 433 | Q | A | -2.6033 | |
| 434 | D | A | -2.4580 | |
| 435 | V | A | -1.2055 | |
| 436 | I | A | -0.8615 | |
| 437 | A | A | -1.5010 | |
| 438 | K | A | -2.3925 | |
| 439 | M | A | -1.7649 | |
| 440 | E | A | -3.2221 | |
| 441 | E | A | -3.3300 | |
| 442 | Q | A | -2.4753 | |
| 443 | G | A | -1.6959 | |
| 444 | L | A | -0.5915 | |
| 445 | A | A | -1.0098 | |
| 446 | D | A | -1.8541 | |
| 447 | A | A | -1.2344 | |
| 448 | S | A | -1.6474 | |
| 449 | L | A | -1.0598 | |
| 450 | L | A | -0.9106 | |
| 451 | K | A | -2.6326 | |
| 452 | K | A | -2.1194 | |
| 453 | M | A | -0.6288 | |
| 454 | G | A | -1.7805 | |
| 455 | F | A | -1.2560 | |
| 456 | E | A | -1.8254 | |
| 457 | I | A | -0.8542 | |
| 458 | E | A | -1.8586 | |
| 459 | K | A | -2.4738 | |
| 460 | S | A | -2.1101 | |
| 461 | G | A | -2.3397 | |
| 462 | D | A | -2.8933 | |
| 463 | K | A | -2.5766 | |
| 464 | L | A | -0.5134 | |
| 465 | I | A | -0.1164 | |
| 466 | L | A | 0.2507 | |
| 467 | K | A | -1.3039 | |
| 468 | S | A | -1.8314 | |
| 469 | N | A | -2.5498 | |
| 470 | N | A | -2.1252 | |
| 471 | D | A | -1.9691 | |
| 472 | I | A | 0.3045 | |
| 473 | P | A | -0.1907 | |
| 474 | P | A | -0.2217 | |
| 475 | P | A | -0.1616 |
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