| Chain sequence(s) |
A: MHHHHHHGSAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELDPNNMADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAKGGGGSMFTLEDFVGDWEQTAAYNLDQVLEQGGVSSLLQNLAVSVTPIQRIVRSGENALKIDIHVIIPYEGLSADQMAQIEEVFKVVYPVDDHHFKVILPYGTLVIDGVTPNMLNYFGRPYEGIAVFDGKKITVTGTLWNGNKIIDERLITPDGSMLFRVTINS
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 (00:13:24)
[INFO] Main: Simulation completed successfully. (00:13:30)
|
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 | 0.1558 | |
| 2 | H | A | -1.6324 | |
| 3 | H | A | -2.3390 | |
| 4 | H | A | -2.7368 | |
| 5 | H | A | -2.9072 | |
| 6 | H | A | -2.9209 | |
| 7 | H | A | -2.8309 | |
| 8 | G | A | -2.0829 | |
| 9 | S | A | -1.6096 | |
| 10 | A | A | 0.0000 | |
| 11 | E | A | -2.1249 | |
| 12 | A | A | -1.0794 | |
| 13 | W | A | -0.5806 | |
| 14 | Y | A | -1.3159 | |
| 15 | N | A | -1.1573 | |
| 16 | L | A | -0.2361 | |
| 17 | G | A | 0.0000 | |
| 18 | N | A | -0.9726 | |
| 19 | A | A | -1.0223 | |
| 20 | Y | A | -1.5550 | |
| 21 | Y | A | -1.6964 | |
| 22 | K | A | -2.3038 | |
| 23 | Q | A | -2.3196 | |
| 24 | G | A | -2.1972 | |
| 25 | D | A | -2.4822 | |
| 26 | Y | A | -2.1347 | |
| 27 | D | A | -2.6851 | |
| 28 | E | A | -2.3872 | |
| 29 | A | A | 0.0000 | |
| 30 | I | A | -1.6092 | |
| 31 | E | A | -2.3899 | |
| 32 | Y | A | -1.4244 | |
| 33 | Y | A | 0.0000 | |
| 34 | Q | A | -1.7203 | |
| 35 | K | A | -1.6966 | |
| 36 | A | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | -2.2602 | |
| 39 | L | A | -1.5588 | |
| 40 | D | A | -1.9851 | |
| 41 | P | A | -1.6647 | |
| 42 | N | A | -2.3141 | |
| 43 | N | A | -2.0342 | |
| 44 | A | A | -2.1080 | |
| 45 | E | A | -2.1823 | |
| 46 | A | A | 0.0000 | |
| 47 | W | A | -1.1850 | |
| 48 | Y | A | 0.0000 | |
| 49 | N | A | -0.4574 | |
| 50 | L | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | N | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | Y | A | -1.4138 | |
| 55 | Y | A | -1.2418 | |
| 56 | K | A | -1.5740 | |
| 57 | Q | A | -1.8032 | |
| 58 | G | A | -1.7891 | |
| 59 | D | A | -2.2117 | |
| 60 | Y | A | -2.0624 | |
| 61 | D | A | -2.7678 | |
| 62 | E | A | -2.5264 | |
| 63 | A | A | 0.0000 | |
| 64 | I | A | -1.7088 | |
| 65 | E | A | -2.6335 | |
| 66 | Y | A | -1.6140 | |
| 67 | Y | A | 0.0000 | |
| 68 | Q | A | -2.0086 | |
| 69 | K | A | -2.1559 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | E | A | -2.6686 | |
| 73 | L | A | -2.0101 | |
| 74 | D | A | -2.6933 | |
| 75 | P | A | -2.0437 | |
| 76 | N | A | -2.4983 | |
| 77 | N | A | -2.2419 | |
| 78 | A | A | -2.0742 | |
| 79 | E | A | -2.1412 | |
| 80 | A | A | 0.0000 | |
| 81 | W | A | -1.1964 | |
| 82 | Y | A | 0.0000 | |
| 83 | N | A | -0.4438 | |
| 84 | L | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | N | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | Y | A | -1.2308 | |
| 89 | Y | A | -1.2264 | |
| 90 | K | A | -1.6052 | |
| 91 | Q | A | -1.8094 | |
| 92 | G | A | -1.7588 | |
| 93 | D | A | -2.1407 | |
| 94 | Y | A | -2.0397 | |
| 95 | D | A | -2.7427 | |
| 96 | E | A | -2.5023 | |
| 97 | A | A | 0.0000 | |
| 98 | I | A | -1.6928 | |
| 99 | E | A | -2.6357 | |
| 100 | Y | A | -1.6223 | |
| 101 | Y | A | 0.0000 | |
| 102 | Q | A | -1.9395 | |
| 103 | K | A | -2.1041 | |
| 104 | A | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | E | A | -2.5157 | |
| 107 | L | A | -1.7333 | |
| 108 | D | A | -2.3257 | |
| 109 | P | A | -1.8836 | |
| 110 | N | A | -2.4682 | |
| 111 | N | A | -2.2164 | |
| 112 | A | A | -2.1566 | |
| 113 | E | A | -2.1799 | |
| 114 | A | A | 0.0000 | |
| 115 | W | A | -1.1624 | |
| 116 | Y | A | -1.2974 | |
| 117 | N | A | -0.3835 | |
| 118 | L | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | N | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | Y | A | -1.2712 | |
| 123 | Y | A | -1.3283 | |
| 124 | K | A | -1.6857 | |
| 125 | Q | A | -1.8387 | |
| 126 | G | A | -1.8117 | |
| 127 | D | A | -2.2199 | |
| 128 | Y | A | -2.1621 | |
| 129 | D | A | -2.9338 | |
| 130 | E | A | -2.5256 | |
| 131 | A | A | 0.0000 | |
| 132 | I | A | -1.7387 | |
| 133 | E | A | -2.6661 | |
| 134 | Y | A | -1.6159 | |
| 135 | Y | A | 0.0000 | |
| 136 | Q | A | -1.9963 | |
| 137 | K | A | -2.1631 | |
| 138 | A | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | E | A | -2.6806 | |
| 141 | L | A | -2.0436 | |
| 142 | D | A | -2.7037 | |
| 143 | P | A | -2.0642 | |
| 144 | N | A | -2.5116 | |
| 145 | N | A | -2.2285 | |
| 146 | A | A | -1.9490 | |
| 147 | E | A | -1.8153 | |
| 148 | A | A | 0.0000 | |
| 149 | W | A | -1.0333 | |
| 150 | Y | A | -0.7375 | |
| 151 | N | A | -0.3313 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | N | A | -0.4366 | |
| 155 | A | A | 0.0000 | |
| 156 | Y | A | -1.2277 | |
| 157 | Y | A | -1.0649 | |
| 158 | K | A | -2.1838 | |
| 159 | Q | A | -1.9027 | |
| 160 | G | A | -1.6016 | |
| 161 | D | A | -1.6890 | |
| 162 | Y | A | -0.8821 | |
| 163 | D | A | -2.0987 | |
| 164 | E | A | -2.0477 | |
| 165 | A | A | 0.0000 | |
| 166 | I | A | -1.2268 | |
| 167 | E | A | -2.1421 | |
| 168 | Y | A | -1.3305 | |
| 169 | Y | A | -1.3367 | |
| 170 | Q | A | -2.1589 | |
| 171 | K | A | -2.0183 | |
| 172 | A | A | 0.0000 | |
| 173 | L | A | -2.1415 | |
| 174 | E | A | -2.4752 | |
| 175 | L | A | -1.7039 | |
| 176 | D | A | -2.1737 | |
| 177 | P | A | -2.0485 | |
| 178 | N | A | -2.4704 | |
| 179 | N | A | -2.3687 | |
| 180 | M | A | 0.0000 | |
| 181 | A | A | -2.0930 | |
| 182 | D | A | -2.9115 | |
| 183 | Q | A | -2.4931 | |
| 184 | L | A | -1.7498 | |
| 185 | T | A | -2.3409 | |
| 186 | E | A | -3.2879 | |
| 187 | E | A | -3.4413 | |
| 188 | Q | A | -2.9467 | |
| 189 | I | A | -2.3629 | |
| 190 | A | A | -2.7882 | |
| 191 | E | A | -3.6519 | |
| 192 | F | A | 0.0000 | |
| 193 | K | A | -2.8571 | |
| 194 | E | A | -3.0283 | |
| 195 | A | A | -1.6264 | |
| 196 | F | A | 0.0000 | |
| 197 | S | A | -2.0313 | |
| 198 | L | A | -1.1635 | |
| 199 | F | A | -0.9165 | |
| 200 | D | A | -2.3556 | |
| 201 | K | A | -2.9644 | |
| 202 | D | A | -3.2967 | |
| 203 | G | A | -2.7368 | |
| 204 | D | A | -3.0144 | |
| 205 | G | A | -1.8217 | |
| 206 | T | A | -1.3840 | |
| 207 | I | A | 0.0000 | |
| 208 | T | A | -1.4153 | |
| 209 | T | A | -1.6836 | |
| 210 | K | A | -2.1632 | |
| 211 | E | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | T | A | -1.3143 | |
| 215 | V | A | 0.0000 | |
| 216 | M | A | -1.3276 | |
| 217 | R | A | -2.1419 | |
| 218 | S | A | -1.4972 | |
| 219 | L | A | -1.0581 | |
| 220 | G | A | -1.7432 | |
| 221 | Q | A | -2.1411 | |
| 222 | N | A | -2.5892 | |
| 223 | P | A | 0.0000 | |
| 224 | T | A | -2.1241 | |
| 225 | E | A | -3.0310 | |
| 226 | A | A | -2.1418 | |
| 227 | E | A | -2.9778 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -3.0392 | |
| 230 | D | A | -3.5775 | |
| 231 | M | A | -2.2978 | |
| 232 | I | A | 0.0000 | |
| 233 | N | A | -3.4797 | |
| 234 | E | A | -2.8427 | |
| 235 | V | A | -1.6532 | |
| 236 | D | A | -2.3169 | |
| 237 | A | A | -1.8119 | |
| 238 | D | A | -2.6172 | |
| 239 | G | A | -2.4640 | |
| 240 | N | A | -2.3608 | |
| 241 | G | A | -1.8252 | |
| 242 | T | A | -1.3766 | |
| 243 | I | A | 0.0000 | |
| 244 | D | A | -1.0490 | |
| 245 | F | A | -0.2950 | |
| 246 | P | A | -0.4895 | |
| 247 | E | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | T | A | -0.7303 | |
| 251 | M | A | -0.5775 | |
| 252 | M | A | -0.5831 | |
| 253 | A | A | 0.0000 | |
| 254 | R | A | -2.0371 | |
| 255 | K | A | -2.1789 | |
| 256 | M | A | -1.4114 | |
| 257 | K | A | -2.1339 | |
| 258 | D | A | -3.3791 | |
| 259 | T | A | -2.9446 | |
| 260 | D | A | -3.5235 | |
| 261 | S | A | -3.6546 | |
| 262 | E | A | -4.3399 | |
| 263 | E | A | -4.5498 | |
| 264 | E | A | -4.6299 | |
| 265 | I | A | 0.0000 | |
| 266 | R | A | -4.2115 | |
| 267 | E | A | -4.0744 | |
| 268 | A | A | -2.2790 | |
| 269 | F | A | 0.0000 | |
| 270 | R | A | -3.3496 | |
| 271 | V | A | -1.5160 | |
| 272 | F | A | -1.2346 | |
| 273 | D | A | -2.5410 | |
| 274 | K | A | -3.2788 | |
| 275 | D | A | -3.3929 | |
| 276 | G | A | -2.7628 | |
| 277 | N | A | -2.5494 | |
| 278 | G | A | -1.7396 | |
| 279 | Y | A | -1.1307 | |
| 280 | I | A | 0.0000 | |
| 281 | S | A | -1.1608 | |
| 282 | A | A | -1.5886 | |
| 283 | A | A | -0.9772 | |
| 284 | E | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | R | A | -2.1556 | |
| 287 | H | A | -2.0481 | |
| 288 | V | A | 0.0000 | |
| 289 | M | A | -1.5175 | |
| 290 | T | A | -2.1113 | |
| 291 | N | A | -2.2767 | |
| 292 | L | A | -1.3878 | |
| 293 | G | A | -1.9553 | |
| 294 | E | A | -2.5094 | |
| 295 | K | A | -2.9178 | |
| 296 | L | A | -2.3910 | |
| 297 | T | A | -2.7338 | |
| 298 | D | A | -3.7743 | |
| 299 | E | A | -3.9549 | |
| 300 | E | A | -3.6583 | |
| 301 | V | A | 0.0000 | |
| 302 | D | A | -4.2085 | |
| 303 | E | A | -4.3185 | |
| 304 | M | A | -2.6913 | |
| 305 | I | A | 0.0000 | |
| 306 | R | A | -3.7474 | |
| 307 | E | A | -2.5019 | |
| 308 | A | A | 0.0000 | |
| 309 | D | A | -1.9437 | |
| 310 | I | A | -0.3615 | |
| 311 | D | A | -1.9112 | |
| 312 | G | A | -2.2572 | |
| 313 | D | A | -2.6474 | |
| 314 | G | A | -2.1559 | |
| 315 | Q | A | -1.5056 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -1.1037 | |
| 318 | Y | A | -1.2360 | |
| 319 | E | A | -1.7323 | |
| 320 | E | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | V | A | -0.9444 | |
| 323 | Q | A | -1.0932 | |
| 324 | M | A | -0.5271 | |
| 325 | M | A | -0.4318 | |
| 326 | T | A | -1.1995 | |
| 327 | A | A | -1.0412 | |
| 328 | K | A | -2.0208 | |
| 329 | G | A | -1.4927 | |
| 330 | G | A | -1.5515 | |
| 331 | G | A | -1.0811 | |
| 332 | G | A | -0.5385 | |
| 333 | S | A | -0.0589 | |
| 334 | M | A | 0.3477 | |
| 335 | F | A | -0.3731 | |
| 336 | T | A | -0.8277 | |
| 337 | L | A | 0.0000 | |
| 338 | E | A | -2.1383 | |
| 339 | D | A | -1.5897 | |
| 340 | F | A | 0.0000 | |
| 341 | V | A | -0.9550 | |
| 342 | G | A | -1.5847 | |
| 343 | D | A | -2.5848 | |
| 344 | W | A | -1.8988 | |
| 345 | E | A | -2.2815 | |
| 346 | Q | A | -0.9776 | |
| 347 | T | A | -0.6615 | |
| 348 | A | A | 0.3514 | |
| 349 | A | A | 0.5820 | |
| 350 | Y | A | 0.5193 | |
| 351 | N | A | -1.2908 | |
| 352 | L | A | -0.9485 | |
| 353 | D | A | -2.6411 | |
| 354 | Q | A | -2.7256 | |
| 355 | V | A | -1.6334 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.0976 | |
| 358 | Q | A | -2.1449 | |
| 359 | G | A | 0.0000 | |
| 360 | G | A | -1.3912 | |
| 361 | V | A | 0.0000 | |
| 362 | S | A | -0.3232 | |
| 363 | S | A | -0.4152 | |
| 364 | L | A | 1.1537 | |
| 365 | L | A | 0.5179 | |
| 366 | Q | A | -0.6258 | |
| 367 | N | A | -0.3763 | |
| 368 | L | A | 0.7180 | |
| 369 | A | A | 0.0000 | |
| 370 | V | A | 1.1070 | |
| 371 | S | A | 0.8126 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | 0.2285 | |
| 374 | P | A | -0.0086 | |
| 375 | I | A | -1.1521 | |
| 376 | Q | A | 0.0000 | |
| 377 | R | A | -2.1825 | |
| 378 | I | A | 0.0000 | |
| 379 | V | A | -0.8804 | |
| 380 | R | A | -1.4760 | |
| 381 | S | A | -1.2251 | |
| 382 | G | A | -1.5486 | |
| 383 | E | A | -2.1452 | |
| 384 | N | A | -1.0859 | |
| 385 | A | A | -1.2683 | |
| 386 | L | A | 0.0000 | |
| 387 | K | A | -1.4992 | |
| 388 | I | A | 0.0000 | |
| 389 | D | A | -1.1788 | |
| 390 | I | A | -0.4592 | |
| 391 | H | A | -0.6744 | |
| 392 | V | A | 0.1701 | |
| 393 | I | A | 1.2406 | |
| 394 | I | A | 0.9070 | |
| 395 | P | A | 0.4562 | |
| 396 | Y | A | 0.5407 | |
| 397 | E | A | -1.3738 | |
| 398 | G | A | -0.9397 | |
| 399 | L | A | -0.6150 | |
| 400 | S | A | -1.1517 | |
| 401 | A | A | -1.1796 | |
| 402 | D | A | -2.5824 | |
| 403 | Q | A | -2.4978 | |
| 404 | M | A | -1.5029 | |
| 405 | A | A | -2.3399 | |
| 406 | Q | A | -2.9388 | |
| 407 | I | A | -1.7344 | |
| 408 | E | A | -2.6361 | |
| 409 | E | A | -2.6388 | |
| 410 | V | A | -0.6979 | |
| 411 | F | A | 0.0000 | |
| 412 | K | A | -0.8613 | |
| 413 | V | A | 0.8706 | |
| 414 | V | A | 0.0000 | |
| 415 | Y | A | 0.1200 | |
| 416 | P | A | -0.2324 | |
| 417 | V | A | 0.3548 | |
| 418 | D | A | -2.0049 | |
| 419 | D | A | -2.5685 | |
| 420 | H | A | -1.7911 | |
| 421 | H | A | -2.0288 | |
| 422 | F | A | 0.0000 | |
| 423 | K | A | -0.3146 | |
| 424 | V | A | 0.0000 | |
| 425 | I | A | 1.4336 | |
| 426 | L | A | 0.4237 | |
| 427 | P | A | 0.1751 | |
| 428 | Y | A | 0.9352 | |
| 429 | G | A | 0.5217 | |
| 430 | T | A | 0.9240 | |
| 431 | L | A | 1.5175 | |
| 432 | V | A | 1.8985 | |
| 433 | I | A | 1.0716 | |
| 434 | D | A | -0.6420 | |
| 435 | G | A | -0.0906 | |
| 436 | V | A | 1.1035 | |
| 437 | T | A | 0.1921 | |
| 438 | P | A | -0.5301 | |
| 439 | N | A | -0.9180 | |
| 440 | M | A | -1.4149 | |
| 441 | L | A | -0.8010 | |
| 442 | N | A | -0.7534 | |
| 443 | Y | A | -0.2977 | |
| 444 | F | A | -0.0655 | |
| 445 | G | A | -0.1608 | |
| 446 | R | A | -1.4135 | |
| 447 | P | A | -1.2649 | |
| 448 | Y | A | 0.0000 | |
| 449 | E | A | -1.5362 | |
| 450 | G | A | -0.2097 | |
| 451 | I | A | 1.6469 | |
| 452 | A | A | 0.0000 | |
| 453 | V | A | 0.8210 | |
| 454 | F | A | 0.0000 | |
| 455 | D | A | -0.9962 | |
| 456 | G | A | 0.0000 | |
| 457 | K | A | -0.8552 | |
| 458 | K | A | -0.7727 | |
| 459 | I | A | 0.0000 | |
| 460 | T | A | 0.1105 | |
| 461 | V | A | 0.0000 | |
| 462 | T | A | 0.2796 | |
| 463 | G | A | -0.4761 | |
| 464 | T | A | -1.0570 | |
| 465 | L | A | 0.0000 | |
| 466 | W | A | -0.6786 | |
| 467 | N | A | -1.0350 | |
| 468 | G | A | -1.1435 | |
| 469 | N | A | -1.4490 | |
| 470 | K | A | -1.7004 | |
| 471 | I | A | 0.0000 | |
| 472 | I | A | -0.1448 | |
| 473 | D | A | 0.0000 | |
| 474 | E | A | -0.2360 | |
| 475 | R | A | 0.0000 | |
| 476 | L | A | 0.1034 | |
| 477 | I | A | 0.0000 | |
| 478 | T | A | -0.5993 | |
| 479 | P | A | -1.3699 | |
| 480 | D | A | -2.1580 | |
| 481 | G | A | -1.3989 | |
| 482 | S | A | -0.6902 | |
| 483 | M | A | -0.0198 | |
| 484 | L | A | 1.1826 | |
| 485 | F | A | 0.5621 | |
| 486 | R | A | -0.2281 | |
| 487 | V | A | -0.2902 | |
| 488 | T | A | -0.5420 | |
| 489 | I | A | 0.0000 | |
| 490 | N | A | -1.5101 | |
| 491 | S | A | -1.2460 |
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