| Chain sequence(s) |
A: MSACNLAQLQAQVGNDFHVYPESLLVLNQTCVGLVRNSYGKWLFLSSRLPGFLGKPHRGGLLCPLSPENAQALLRIFPHLKPRRLADGPSFGFGDRLGLATPGHIRAILKAQVFPVLAQQSVRENNRTGRTFAQVLADAVFGALQEGYTEGFAADADHLKSLEQASEAARLGYTFFTCDPSDLLVSVEKLSFREIAEKGKELPFSQLKKLYLGRSFRVPLLGELRFKEDELLRVSVKYWWALDFAERMFHTLLHEVPDGFDFELSVDEASAATTVLEHLFLALECKRRGIKLASLAPRFSGTMEKAVDFRGDLDVFRSELRAHMAIAQAFGPYKISLHSGSDKFSLYPILAKEARGLWHVKTAGTSYLVALEVLARAQPKLFREILHLAKNSFPEERKSYQLSAEAEMVPEPESLQDEKLPELLSDPNVRQVLHVTYGAVLRKMGDDVRAALLTYEEEYLSALEKHFRRHLEALGVMESERA
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] (00:00:00)
[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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:07)
[INFO] Main: Simulation completed successfully. (00:06:10)
|
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 | 0.7871 | |
| 2 | S | A | -0.0881 | |
| 3 | A | A | -0.0578 | |
| 4 | C | A | -0.2443 | |
| 5 | N | A | -0.8282 | |
| 6 | L | A | -0.3988 | |
| 7 | A | A | -0.4395 | |
| 8 | Q | A | -0.9319 | |
| 9 | L | A | 0.0000 | |
| 10 | Q | A | -1.1134 | |
| 11 | A | A | -0.8379 | |
| 12 | Q | A | -1.2754 | |
| 13 | V | A | 0.0000 | |
| 14 | G | A | -1.8597 | |
| 15 | N | A | -2.3786 | |
| 16 | D | A | -2.7410 | |
| 17 | F | A | 0.0000 | |
| 18 | H | A | -1.5912 | |
| 19 | V | A | 0.0000 | |
| 20 | Y | A | 0.0000 | |
| 21 | P | A | -1.1288 | |
| 22 | E | A | -1.8989 | |
| 23 | S | A | 0.0000 | |
| 24 | L | A | -0.1177 | |
| 25 | L | A | 0.3556 | |
| 26 | V | A | 0.5223 | |
| 27 | L | A | -0.1205 | |
| 28 | N | A | -1.4944 | |
| 29 | Q | A | -1.3256 | |
| 30 | T | A | 0.0000 | |
| 31 | C | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | G | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | R | A | -1.0672 | |
| 37 | N | A | -0.9951 | |
| 38 | S | A | -0.1612 | |
| 39 | Y | A | 1.0015 | |
| 40 | G | A | 0.2024 | |
| 41 | K | A | -0.2397 | |
| 42 | W | A | 0.0725 | |
| 43 | L | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | S | A | -1.0775 | |
| 47 | S | A | -1.6064 | |
| 48 | R | A | -1.8915 | |
| 49 | L | A | -0.8818 | |
| 50 | P | A | -0.5750 | |
| 51 | G | A | -0.9508 | |
| 52 | F | A | 0.0000 | |
| 53 | L | A | 0.4201 | |
| 54 | G | A | -0.6033 | |
| 55 | K | A | -1.6894 | |
| 56 | P | A | -1.8297 | |
| 57 | H | A | -1.8591 | |
| 58 | R | A | -2.3138 | |
| 59 | G | A | -1.8065 | |
| 60 | G | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | C | A | 0.0000 | |
| 64 | P | A | -0.1064 | |
| 65 | L | A | 0.1150 | |
| 66 | S | A | -0.4374 | |
| 67 | P | A | -1.1078 | |
| 68 | E | A | -1.7179 | |
| 69 | N | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | Q | A | -1.4830 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -2.0039 | |
| 76 | I | A | -0.7116 | |
| 77 | F | A | 0.0000 | |
| 78 | P | A | -1.1928 | |
| 79 | H | A | -1.3853 | |
| 80 | L | A | 0.0000 | |
| 81 | K | A | -1.7514 | |
| 82 | P | A | 0.0000 | |
| 83 | R | A | -2.1748 | |
| 84 | R | A | -2.6702 | |
| 85 | L | A | 0.0000 | |
| 86 | A | A | -1.4744 | |
| 87 | D | A | -2.0008 | |
| 88 | G | A | -1.3682 | |
| 89 | P | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | D | A | 0.0000 | |
| 96 | R | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | G | A | -0.2332 | |
| 99 | L | A | 0.0642 | |
| 100 | A | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | P | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | H | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | R | A | -0.7745 | |
| 107 | A | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | L | A | -0.5499 | |
| 110 | K | A | -1.8881 | |
| 111 | A | A | -1.5729 | |
| 112 | Q | A | -1.7272 | |
| 113 | V | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | Q | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | R | A | -1.2190 | |
| 124 | E | A | 0.0000 | |
| 125 | N | A | 0.0000 | |
| 126 | N | A | -1.7898 | |
| 127 | R | A | -1.5367 | |
| 128 | T | A | -1.5164 | |
| 129 | G | A | -1.4498 | |
| 130 | R | A | 0.0000 | |
| 131 | T | A | -0.5344 | |
| 132 | F | A | 0.0000 | |
| 133 | A | A | -0.9842 | |
| 134 | Q | A | -0.7977 | |
| 135 | V | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | D | A | -0.4301 | |
| 139 | A | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | E | A | -1.0761 | |
| 147 | G | A | -1.2699 | |
| 148 | Y | A | 0.0000 | |
| 149 | T | A | -1.2899 | |
| 150 | E | A | -1.8556 | |
| 151 | G | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | D | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | D | A | 0.0000 | |
| 158 | H | A | -0.3889 | |
| 159 | L | A | 0.0000 | |
| 160 | K | A | -0.9145 | |
| 161 | S | A | -0.9060 | |
| 162 | L | A | -1.2558 | |
| 163 | E | A | -2.3381 | |
| 164 | Q | A | -1.8188 | |
| 165 | A | A | 0.0000 | |
| 166 | S | A | -2.1869 | |
| 167 | E | A | -3.0026 | |
| 168 | A | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | R | A | -2.4479 | |
| 171 | L | A | -1.2078 | |
| 172 | G | A | -1.2254 | |
| 173 | Y | A | 0.0000 | |
| 174 | T | A | -1.1222 | |
| 175 | F | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | C | A | 0.0000 | |
| 179 | D | A | 0.0000 | |
| 180 | P | A | 0.0000 | |
| 181 | S | A | -1.1010 | |
| 182 | D | A | -1.6469 | |
| 183 | L | A | -0.1279 | |
| 184 | L | A | -0.0935 | |
| 185 | V | A | -0.3500 | |
| 186 | S | A | -0.7222 | |
| 187 | V | A | 0.0000 | |
| 188 | E | A | -1.6230 | |
| 189 | K | A | -1.8796 | |
| 190 | L | A | -0.9094 | |
| 191 | S | A | -0.4057 | |
| 192 | F | A | -0.1397 | |
| 193 | R | A | -1.8576 | |
| 194 | E | A | -2.0639 | |
| 195 | I | A | 0.0000 | |
| 196 | A | A | -2.3484 | |
| 197 | E | A | -3.3829 | |
| 198 | K | A | -3.0788 | |
| 199 | G | A | 0.0000 | |
| 200 | K | A | -3.3462 | |
| 201 | E | A | -3.1321 | |
| 202 | L | A | 0.0000 | |
| 203 | P | A | -1.0549 | |
| 204 | F | A | -1.2877 | |
| 205 | S | A | -1.2176 | |
| 206 | Q | A | -1.4661 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -2.1373 | |
| 209 | K | A | -2.2436 | |
| 210 | L | A | -1.0788 | |
| 211 | Y | A | 0.0000 | |
| 212 | L | A | -2.0487 | |
| 213 | G | A | -2.0733 | |
| 214 | R | A | -2.6228 | |
| 215 | S | A | -2.1197 | |
| 216 | F | A | -1.8266 | |
| 217 | R | A | -2.3952 | |
| 218 | V | A | 0.0000 | |
| 219 | P | A | -0.1798 | |
| 220 | L | A | 1.0822 | |
| 221 | L | A | 0.3963 | |
| 222 | G | A | -0.6676 | |
| 223 | E | A | -2.1605 | |
| 224 | L | A | -1.7266 | |
| 225 | R | A | -3.2144 | |
| 226 | F | A | 0.0000 | |
| 227 | K | A | -3.8829 | |
| 228 | E | A | -3.7132 | |
| 229 | D | A | -2.9906 | |
| 230 | E | A | -3.0082 | |
| 231 | L | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | R | A | -1.9592 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | K | A | 0.0000 | |
| 238 | Y | A | 0.0000 | |
| 239 | W | A | 0.1311 | |
| 240 | W | A | 0.2223 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | -0.6336 | |
| 244 | F | A | -0.5400 | |
| 245 | A | A | 0.0000 | |
| 246 | E | A | -1.7361 | |
| 247 | R | A | -2.0613 | |
| 248 | M | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | H | A | -1.2123 | |
| 251 | T | A | -1.0882 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | -0.4939 | |
| 254 | H | A | -1.1984 | |
| 255 | E | A | -1.6192 | |
| 256 | V | A | -1.1426 | |
| 257 | P | A | -1.2427 | |
| 258 | D | A | -2.2057 | |
| 259 | G | A | -1.5379 | |
| 260 | F | A | -1.0522 | |
| 261 | D | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | E | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | D | A | -1.1168 | |
| 268 | E | A | -1.6834 | |
| 269 | A | A | 0.0000 | |
| 270 | S | A | -0.8720 | |
| 271 | A | A | -0.7857 | |
| 272 | A | A | -0.4387 | |
| 273 | T | A | 0.0000 | |
| 274 | T | A | 0.1583 | |
| 275 | V | A | 0.6197 | |
| 276 | L | A | 0.0909 | |
| 277 | E | A | 0.0000 | |
| 278 | H | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | F | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | L | A | -0.6795 | |
| 284 | E | A | 0.0000 | |
| 285 | C | A | 0.0000 | |
| 286 | K | A | -2.6455 | |
| 287 | R | A | -2.3675 | |
| 288 | R | A | 0.0000 | |
| 289 | G | A | -1.9881 | |
| 290 | I | A | 0.0000 | |
| 291 | K | A | -2.3756 | |
| 292 | L | A | 0.0000 | |
| 293 | A | A | -0.6100 | |
| 294 | S | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | R | A | -0.9486 | |
| 299 | F | A | 0.0000 | |
| 300 | S | A | -0.6717 | |
| 301 | G | A | -1.2169 | |
| 302 | T | A | -1.2059 | |
| 303 | M | A | -0.7403 | |
| 304 | E | A | 0.0000 | |
| 305 | K | A | -0.7510 | |
| 306 | A | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | D | A | -0.9945 | |
| 309 | F | A | 0.0000 | |
| 310 | R | A | -1.9365 | |
| 311 | G | A | -2.0846 | |
| 312 | D | A | -2.4016 | |
| 313 | L | A | -1.4145 | |
| 314 | D | A | -1.9610 | |
| 315 | V | A | -0.9041 | |
| 316 | F | A | 0.0000 | |
| 317 | R | A | -1.5163 | |
| 318 | S | A | -0.9515 | |
| 319 | E | A | -0.7271 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -0.9461 | |
| 322 | A | A | -0.1555 | |
| 323 | H | A | 0.0000 | |
| 324 | M | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | Q | A | -1.2702 | |
| 329 | A | A | -0.8602 | |
| 330 | F | A | -0.4635 | |
| 331 | G | A | -1.0486 | |
| 332 | P | A | -0.8794 | |
| 333 | Y | A | 0.0000 | |
| 334 | K | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | H | A | 0.0000 | |
| 339 | S | A | -0.1695 | |
| 340 | G | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | D | A | 0.0000 | |
| 343 | K | A | 0.0000 | |
| 344 | F | A | -0.1716 | |
| 345 | S | A | -0.1750 | |
| 346 | L | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | P | A | -0.8171 | |
| 349 | I | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | A | A | -1.5304 | |
| 352 | K | A | -2.5322 | |
| 353 | E | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | R | A | -2.3665 | |
| 356 | G | A | -1.5700 | |
| 357 | L | A | -0.8332 | |
| 358 | W | A | 0.0000 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | K | A | 0.0000 | |
| 362 | T | A | 0.0000 | |
| 363 | A | A | -0.0485 | |
| 364 | G | A | 0.0000 | |
| 365 | T | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | Y | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | E | A | -1.2011 | |
| 373 | V | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | R | A | -3.0456 | |
| 377 | A | A | -1.5964 | |
| 378 | Q | A | -1.5464 | |
| 379 | P | A | -2.5494 | |
| 380 | K | A | -2.7918 | |
| 381 | L | A | -1.8238 | |
| 382 | F | A | 0.0000 | |
| 383 | R | A | -2.4735 | |
| 384 | E | A | -2.5898 | |
| 385 | I | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | H | A | -2.0551 | |
| 388 | L | A | -1.2427 | |
| 389 | A | A | 0.0000 | |
| 390 | K | A | -1.7062 | |
| 391 | N | A | -1.8057 | |
| 392 | S | A | -1.4869 | |
| 393 | F | A | 0.0000 | |
| 394 | P | A | -2.2173 | |
| 395 | E | A | -2.9429 | |
| 396 | E | A | -2.2387 | |
| 397 | R | A | -2.4753 | |
| 398 | K | A | -2.8979 | |
| 399 | S | A | -1.7253 | |
| 400 | Y | A | -1.3011 | |
| 401 | Q | A | -1.5729 | |
| 402 | L | A | -1.1325 | |
| 403 | S | A | -0.8450 | |
| 404 | A | A | 0.0000 | |
| 405 | E | A | -2.2065 | |
| 406 | A | A | -1.7994 | |
| 407 | E | A | -2.2688 | |
| 408 | M | A | -0.9715 | |
| 409 | V | A | 0.0000 | |
| 410 | P | A | -1.3998 | |
| 411 | E | A | -2.7211 | |
| 412 | P | A | 0.0000 | |
| 413 | E | A | -3.2052 | |
| 414 | S | A | -1.8692 | |
| 415 | L | A | -2.0145 | |
| 416 | Q | A | -2.5598 | |
| 417 | D | A | -3.1753 | |
| 418 | E | A | -3.5203 | |
| 419 | K | A | -3.0381 | |
| 420 | L | A | 0.0000 | |
| 421 | P | A | -2.3444 | |
| 422 | E | A | -2.7701 | |
| 423 | L | A | -1.3197 | |
| 424 | L | A | 0.0000 | |
| 425 | S | A | -1.1918 | |
| 426 | D | A | -1.1531 | |
| 427 | P | A | -0.9323 | |
| 428 | N | A | -0.9880 | |
| 429 | V | A | 0.0000 | |
| 430 | R | A | -0.5863 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | H | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | T | A | 0.0000 | |
| 437 | Y | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | A | A | -1.3526 | |
| 440 | V | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | R | A | -3.0338 | |
| 443 | K | A | -3.0188 | |
| 444 | M | A | -2.5764 | |
| 445 | G | A | 0.0000 | |
| 446 | D | A | -3.2762 | |
| 447 | D | A | -2.8889 | |
| 448 | V | A | 0.0000 | |
| 449 | R | A | -1.4557 | |
| 450 | A | A | -1.0016 | |
| 451 | A | A | -0.8071 | |
| 452 | L | A | 0.0000 | |
| 453 | L | A | -0.4371 | |
| 454 | T | A | -0.2958 | |
| 455 | Y | A | -0.9228 | |
| 456 | E | A | -1.3820 | |
| 457 | E | A | -2.6157 | |
| 458 | E | A | -2.6518 | |
| 459 | Y | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | S | A | -1.8815 | |
| 462 | A | A | -1.6523 | |
| 463 | L | A | 0.0000 | |
| 464 | E | A | -1.8868 | |
| 465 | K | A | -2.5997 | |
| 466 | H | A | -1.7773 | |
| 467 | F | A | 0.0000 | |
| 468 | R | A | -2.3995 | |
| 469 | R | A | -2.7155 | |
| 470 | H | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | E | A | -2.1362 | |
| 473 | A | A | -1.1343 | |
| 474 | L | A | 0.0000 | |
| 475 | G | A | -1.8412 | |
| 476 | V | A | -1.3242 | |
| 477 | M | A | 0.0000 | |
| 478 | E | A | -3.2853 | |
| 479 | S | A | -3.0546 | |
| 480 | E | A | -3.3746 | |
| 481 | R | A | -3.0345 | |
| 482 | A | A | -1.3779 |
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