| Chain sequence(s) |
A: MPHNSIRSGHGGLNQLGGAFVNGRPLPEVVRQRIVDLAHQGVRPCDISRQLRVSHGCVSKILGRYYETGSIRPGVIGGSKPKVATPKVVEKIGDYKRQNPTMFAWEIRDRLLAEGVCDNDTVPSVSSINRIIRTKVQQPFNLPMDSCVATKSLSPGHTLIPSSAVTPPESPQSDSLGSTYSINGLLGIAQPGSDKRKMDDSDQDSCRLSIDSQSSSSGPRKHLRTDAFSQHHLEPLECPFERQHYPEAYASPSHTKGEQGLYPLPLLNSTLDDGKATLTPSNTPLGRNLSTHQTYPVVADPHSPFAIKQETPEVSSSSSTPSSLSSSAFLDLQQVGSGVPPFNAFPHAASVYGQFTGQALLSGREMVGPTLPGYPPHIPTSGQGSYASSAIAGMVAGSEYSGNAYGHTPYSSYSEAWRFPNSSLLSSPYYYSSTSRPSAPPTTATAFDHL
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 (00:03:01)
[INFO] Main: Simulation completed successfully. (00:03:04)
|
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 | 0.4924 | |
| 2 | P | A | -0.6204 | |
| 3 | H | A | -1.2338 | |
| 4 | N | A | -1.4488 | |
| 5 | S | A | -0.7590 | |
| 6 | I | A | 0.3890 | |
| 7 | R | A | -1.3766 | |
| 8 | S | A | -0.8611 | |
| 9 | G | A | -1.3331 | |
| 10 | H | A | -1.6286 | |
| 11 | G | A | -0.6920 | |
| 12 | G | A | 0.2009 | |
| 13 | L | A | 1.2229 | |
| 14 | N | A | -0.0328 | |
| 15 | Q | A | -1.0094 | |
| 16 | L | A | -1.0004 | |
| 17 | G | A | -0.3179 | |
| 18 | G | A | 0.0000 | |
| 19 | A | A | 0.5620 | |
| 20 | F | A | 0.3860 | |
| 21 | V | A | -0.3073 | |
| 22 | N | A | -1.8032 | |
| 23 | G | A | -1.5566 | |
| 24 | R | A | -1.8611 | |
| 25 | P | A | -1.0944 | |
| 26 | L | A | -0.5163 | |
| 27 | P | A | -0.6728 | |
| 28 | E | A | -1.5634 | |
| 29 | V | A | 0.5167 | |
| 30 | V | A | -0.0055 | |
| 31 | R | A | 0.0000 | |
| 32 | Q | A | -1.1823 | |
| 33 | R | A | -1.5234 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | D | A | -1.5054 | |
| 37 | L | A | -1.5369 | |
| 38 | A | A | -1.5891 | |
| 39 | H | A | -2.0056 | |
| 40 | Q | A | -1.9550 | |
| 41 | G | A | -1.5564 | |
| 42 | V | A | -1.1862 | |
| 43 | R | A | -2.0455 | |
| 44 | P | A | -1.4758 | |
| 45 | C | A | -1.4810 | |
| 46 | D | A | -2.1329 | |
| 47 | I | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -3.0980 | |
| 50 | Q | A | -2.4768 | |
| 51 | L | A | -1.7528 | |
| 52 | R | A | -2.5123 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | -1.2279 | |
| 55 | H | A | -1.6381 | |
| 56 | G | A | -0.9457 | |
| 57 | C | A | -0.7340 | |
| 58 | V | A | 0.0000 | |
| 59 | S | A | -1.3651 | |
| 60 | K | A | -2.2578 | |
| 61 | I | A | -1.2368 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | -1.5552 | |
| 64 | R | A | -2.7712 | |
| 65 | Y | A | -1.1980 | |
| 66 | Y | A | -0.1597 | |
| 67 | E | A | -1.9648 | |
| 68 | T | A | -1.4174 | |
| 69 | G | A | -1.0094 | |
| 70 | S | A | -1.1375 | |
| 71 | I | A | -0.9971 | |
| 72 | R | A | -2.2604 | |
| 73 | P | A | -1.0771 | |
| 74 | G | A | 0.1999 | |
| 75 | V | A | 2.0528 | |
| 76 | I | A | 2.0546 | |
| 77 | G | A | 0.4504 | |
| 78 | G | A | -0.4963 | |
| 79 | S | A | -1.7273 | |
| 80 | K | A | -2.4923 | |
| 81 | P | A | -1.8911 | |
| 82 | K | A | -2.0969 | |
| 83 | V | A | -0.8914 | |
| 84 | A | A | -1.0104 | |
| 85 | T | A | -1.3479 | |
| 86 | P | A | -1.5498 | |
| 87 | K | A | -2.5034 | |
| 88 | V | A | 0.0000 | |
| 89 | V | A | -1.8634 | |
| 90 | E | A | -3.1843 | |
| 91 | K | A | -2.5349 | |
| 92 | I | A | 0.0000 | |
| 93 | G | A | -2.7445 | |
| 94 | D | A | -2.8620 | |
| 95 | Y | A | 0.0000 | |
| 96 | K | A | -2.2527 | |
| 97 | R | A | -3.2102 | |
| 98 | Q | A | -2.7579 | |
| 99 | N | A | -1.7934 | |
| 100 | P | A | -1.2597 | |
| 101 | T | A | -0.2172 | |
| 102 | M | A | 0.3997 | |
| 103 | F | A | 2.0282 | |
| 104 | A | A | 0.8534 | |
| 105 | W | A | 0.9716 | |
| 106 | E | A | -0.1198 | |
| 107 | I | A | 0.0000 | |
| 108 | R | A | -0.9896 | |
| 109 | D | A | -2.4881 | |
| 110 | R | A | -1.9732 | |
| 111 | L | A | 0.0000 | |
| 112 | L | A | -1.9172 | |
| 113 | A | A | -1.5883 | |
| 114 | E | A | -2.1326 | |
| 115 | G | A | -1.7546 | |
| 116 | V | A | -1.2531 | |
| 117 | C | A | 0.0000 | |
| 118 | D | A | -3.1110 | |
| 119 | N | A | -3.2321 | |
| 120 | D | A | -2.9372 | |
| 121 | T | A | -1.9917 | |
| 122 | V | A | 0.0000 | |
| 123 | P | A | 0.0000 | |
| 124 | S | A | 0.1042 | |
| 125 | V | A | 0.7775 | |
| 126 | S | A | -0.2951 | |
| 127 | S | A | -0.8581 | |
| 128 | I | A | 0.0000 | |
| 129 | N | A | -1.1718 | |
| 130 | R | A | -2.8365 | |
| 131 | I | A | 0.0000 | |
| 132 | I | A | -2.4877 | |
| 133 | R | A | -3.6063 | |
| 134 | T | A | -2.8736 | |
| 135 | K | A | -3.1612 | |
| 136 | V | A | 0.0000 | |
| 137 | Q | A | -2.6709 | |
| 138 | Q | A | -2.4684 | |
| 139 | P | A | -0.5808 | |
| 140 | F | A | 0.9682 | |
| 141 | N | A | 0.2484 | |
| 142 | L | A | 1.4308 | |
| 143 | P | A | 0.3605 | |
| 144 | M | A | 0.3562 | |
| 145 | D | A | -0.8482 | |
| 146 | S | A | -0.0072 | |
| 147 | C | A | 1.2238 | |
| 148 | V | A | 1.7035 | |
| 149 | A | A | 0.5811 | |
| 150 | T | A | -0.4022 | |
| 151 | K | A | -1.3265 | |
| 152 | S | A | -0.3738 | |
| 153 | L | A | 0.9252 | |
| 154 | S | A | 0.1515 | |
| 155 | P | A | -0.4332 | |
| 156 | G | A | -1.0135 | |
| 157 | H | A | -0.9926 | |
| 158 | T | A | 0.5359 | |
| 159 | L | A | 2.1601 | |
| 160 | I | A | 2.5589 | |
| 161 | P | A | 1.0007 | |
| 162 | S | A | 0.0553 | |
| 163 | S | A | 0.0548 | |
| 164 | A | A | 0.7567 | |
| 165 | V | A | 1.6655 | |
| 166 | T | A | 0.6197 | |
| 167 | P | A | -0.5116 | |
| 168 | P | A | -1.4432 | |
| 169 | E | A | -2.1827 | |
| 170 | S | A | -1.6289 | |
| 171 | P | A | -1.4145 | |
| 172 | Q | A | -1.8905 | |
| 173 | S | A | -1.7000 | |
| 174 | D | A | -1.8847 | |
| 175 | S | A | -0.6595 | |
| 176 | L | A | 0.6380 | |
| 177 | G | A | 0.0783 | |
| 178 | S | A | 0.2515 | |
| 179 | T | A | 0.6823 | |
| 180 | Y | A | 1.5307 | |
| 181 | S | A | 1.2404 | |
| 182 | I | A | 2.2127 | |
| 183 | N | A | 0.8804 | |
| 184 | G | A | 1.1375 | |
| 185 | L | A | 2.4747 | |
| 186 | L | A | 2.2433 | |
| 187 | G | A | 1.2458 | |
| 188 | I | A | 1.7090 | |
| 189 | A | A | 0.1512 | |
| 190 | Q | A | -0.9881 | |
| 191 | P | A | -0.8775 | |
| 192 | G | A | -1.3992 | |
| 193 | S | A | -1.8605 | |
| 194 | D | A | -3.2062 | |
| 195 | K | A | -3.9154 | |
| 196 | R | A | -3.8939 | |
| 197 | K | A | -2.9437 | |
| 198 | M | A | -1.5583 | |
| 199 | D | A | -2.6641 | |
| 200 | D | A | -2.8857 | |
| 201 | S | A | -2.5831 | |
| 202 | D | A | -3.2166 | |
| 203 | Q | A | -3.1030 | |
| 204 | D | A | -2.7415 | |
| 205 | S | A | -1.3616 | |
| 206 | C | A | -0.3679 | |
| 207 | R | A | -0.7829 | |
| 208 | L | A | 1.1287 | |
| 209 | S | A | 0.7691 | |
| 210 | I | A | 1.3367 | |
| 211 | D | A | -1.2077 | |
| 212 | S | A | -1.3462 | |
| 213 | Q | A | -1.8407 | |
| 214 | S | A | -1.0484 | |
| 215 | S | A | -0.7484 | |
| 216 | S | A | -0.5789 | |
| 217 | S | A | -0.6778 | |
| 218 | G | A | -1.1525 | |
| 219 | P | A | -1.9857 | |
| 220 | R | A | -2.9754 | |
| 221 | K | A | -2.9917 | |
| 222 | H | A | -2.0986 | |
| 223 | L | A | -0.7302 | |
| 224 | R | A | -2.1775 | |
| 225 | T | A | -1.3235 | |
| 226 | D | A | -1.6575 | |
| 227 | A | A | -0.3503 | |
| 228 | F | A | 0.8843 | |
| 229 | S | A | -0.4370 | |
| 230 | Q | A | -1.5317 | |
| 231 | H | A | -1.9341 | |
| 232 | H | A | -1.2243 | |
| 233 | L | A | -0.4018 | |
| 234 | E | A | -1.9905 | |
| 235 | P | A | -0.7166 | |
| 236 | L | A | 0.4070 | |
| 237 | E | A | -0.8346 | |
| 238 | C | A | 0.1417 | |
| 239 | P | A | -0.0589 | |
| 240 | F | A | 0.2003 | |
| 241 | E | A | -2.2340 | |
| 242 | R | A | -2.9360 | |
| 243 | Q | A | -2.5588 | |
| 244 | H | A | -1.9939 | |
| 245 | Y | A | -0.2880 | |
| 246 | P | A | -0.7306 | |
| 247 | E | A | -1.3618 | |
| 248 | A | A | -0.0987 | |
| 249 | Y | A | 0.7810 | |
| 250 | A | A | 0.3464 | |
| 251 | S | A | -0.0728 | |
| 252 | P | A | -0.5239 | |
| 253 | S | A | -0.8928 | |
| 254 | H | A | -1.5204 | |
| 255 | T | A | -1.5666 | |
| 256 | K | A | -2.5428 | |
| 257 | G | A | -2.5227 | |
| 258 | E | A | -3.1755 | |
| 259 | Q | A | -2.2013 | |
| 260 | G | A | -0.3038 | |
| 261 | L | A | 1.7128 | |
| 262 | Y | A | 2.2280 | |
| 263 | P | A | 1.5641 | |
| 264 | L | A | 2.0795 | |
| 265 | P | A | 1.5607 | |
| 266 | L | A | 2.1531 | |
| 267 | L | A | 1.7140 | |
| 268 | N | A | -0.2768 | |
| 269 | S | A | -0.2330 | |
| 270 | T | A | 0.0128 | |
| 271 | L | A | 0.2174 | |
| 272 | D | A | -2.0529 | |
| 273 | D | A | -2.9194 | |
| 274 | G | A | -2.5364 | |
| 275 | K | A | -2.2973 | |
| 276 | A | A | -0.5810 | |
| 277 | T | A | 0.3267 | |
| 278 | L | A | 1.4331 | |
| 279 | T | A | 0.4779 | |
| 280 | P | A | -0.3085 | |
| 281 | S | A | -1.0553 | |
| 282 | N | A | -1.5300 | |
| 283 | T | A | -0.5046 | |
| 284 | P | A | 0.1588 | |
| 285 | L | A | 0.7743 | |
| 286 | G | A | -1.0524 | |
| 287 | R | A | -2.0859 | |
| 288 | N | A | -1.6133 | |
| 289 | L | A | 0.3506 | |
| 290 | S | A | 0.0491 | |
| 291 | T | A | -0.5786 | |
| 292 | H | A | -1.7183 | |
| 293 | Q | A | -1.5194 | |
| 294 | T | A | -0.3057 | |
| 295 | Y | A | 1.3318 | |
| 296 | P | A | 1.7036 | |
| 297 | V | A | 2.8061 | |
| 298 | V | A | 2.2500 | |
| 299 | A | A | 0.3184 | |
| 300 | D | A | -1.8073 | |
| 301 | P | A | -1.7716 | |
| 302 | H | A | -1.6829 | |
| 303 | S | A | -0.6110 | |
| 304 | P | A | 0.4385 | |
| 305 | F | A | 2.2167 | |
| 306 | A | A | 1.6567 | |
| 307 | I | A | 1.3131 | |
| 308 | K | A | -1.6819 | |
| 309 | Q | A | -2.4489 | |
| 310 | E | A | -2.8960 | |
| 311 | T | A | -1.7359 | |
| 312 | P | A | -1.2415 | |
| 313 | E | A | -1.1074 | |
| 314 | V | A | 0.6509 | |
| 315 | S | A | 0.1218 | |
| 316 | S | A | -0.0829 | |
| 317 | S | A | -0.5145 | |
| 318 | S | A | -0.4847 | |
| 319 | S | A | -0.4585 | |
| 320 | T | A | -0.4333 | |
| 321 | P | A | -0.5005 | |
| 322 | S | A | -0.1495 | |
| 323 | S | A | 0.3056 | |
| 324 | L | A | 1.2064 | |
| 325 | S | A | 0.4520 | |
| 326 | S | A | -0.0609 | |
| 327 | S | A | 0.2300 | |
| 328 | A | A | 1.3058 | |
| 329 | F | A | 2.2666 | |
| 330 | L | A | 1.8045 | |
| 331 | D | A | 0.0359 | |
| 332 | L | A | 0.1724 | |
| 333 | Q | A | -1.0578 | |
| 334 | Q | A | -0.7609 | |
| 335 | V | A | 0.6342 | |
| 336 | G | A | 0.0668 | |
| 337 | S | A | 0.0755 | |
| 338 | G | A | 0.1003 | |
| 339 | V | A | 1.3108 | |
| 340 | P | A | 0.8597 | |
| 341 | P | A | 0.6358 | |
| 342 | F | A | 1.1066 | |
| 343 | N | A | 0.1102 | |
| 344 | A | A | 0.7255 | |
| 345 | F | A | 1.3559 | |
| 346 | P | A | 0.3248 | |
| 347 | H | A | -0.6155 | |
| 348 | A | A | -0.3110 | |
| 349 | A | A | 0.1371 | |
| 350 | S | A | 1.0769 | |
| 351 | V | A | 2.0615 | |
| 352 | Y | A | 1.7446 | |
| 353 | G | A | 0.5506 | |
| 354 | Q | A | 0.0155 | |
| 355 | F | A | 1.2433 | |
| 356 | T | A | 0.0704 | |
| 357 | G | A | -0.6598 | |
| 358 | Q | A | -1.0306 | |
| 359 | A | A | 0.4415 | |
| 360 | L | A | 1.9441 | |
| 361 | L | A | 2.1030 | |
| 362 | S | A | 0.2983 | |
| 363 | G | A | -1.3430 | |
| 364 | R | A | -2.7670 | |
| 365 | E | A | -1.8708 | |
| 366 | M | A | 0.4665 | |
| 367 | V | A | 1.5769 | |
| 368 | G | A | 0.4869 | |
| 369 | P | A | 0.1907 | |
| 370 | T | A | 0.3200 | |
| 371 | L | A | 1.3460 | |
| 372 | P | A | 0.4771 | |
| 373 | G | A | 0.3443 | |
| 374 | Y | A | 0.8926 | |
| 375 | P | A | 0.1087 | |
| 376 | P | A | -0.1700 | |
| 377 | H | A | -0.1173 | |
| 378 | I | A | 1.2867 | |
| 379 | P | A | 0.3072 | |
| 380 | T | A | -0.1815 | |
| 381 | S | A | -0.6560 | |
| 382 | G | A | -1.3104 | |
| 383 | Q | A | -1.7519 | |
| 384 | G | A | -0.9820 | |
| 385 | S | A | -0.0593 | |
| 386 | Y | A | 1.0903 | |
| 387 | A | A | 0.5069 | |
| 388 | S | A | -0.0129 | |
| 389 | S | A | 0.1794 | |
| 390 | A | A | 0.9118 | |
| 391 | I | A | 1.9216 | |
| 392 | A | A | 1.0813 | |
| 393 | G | A | 0.8811 | |
| 394 | M | A | 1.7418 | |
| 395 | V | A | 2.1332 | |
| 396 | A | A | 0.8847 | |
| 397 | G | A | -0.4399 | |
| 398 | S | A | -1.0310 | |
| 399 | E | A | -1.5104 | |
| 400 | Y | A | -0.0830 | |
| 401 | S | A | -0.6717 | |
| 402 | G | A | -0.8646 | |
| 403 | N | A | -1.0665 | |
| 404 | A | A | -0.3592 | |
| 405 | Y | A | 0.4441 | |
| 406 | G | A | -0.5459 | |
| 407 | H | A | -0.7910 | |
| 408 | T | A | -0.3357 | |
| 409 | P | A | -0.0670 | |
| 410 | Y | A | 1.0729 | |
| 411 | S | A | 0.5632 | |
| 412 | S | A | 0.2476 | |
| 413 | Y | A | 0.9171 | |
| 414 | S | A | -0.5125 | |
| 415 | E | A | -1.6441 | |
| 416 | A | A | -0.2434 | |
| 417 | W | A | 0.4181 | |
| 418 | R | A | -0.9765 | |
| 419 | F | A | 0.8801 | |
| 420 | P | A | -0.2549 | |
| 421 | N | A | -0.4831 | |
| 422 | S | A | 0.2808 | |
| 423 | S | A | 0.3923 | |
| 424 | L | A | 1.7518 | |
| 425 | L | A | 1.8194 | |
| 426 | S | A | 0.8954 | |
| 427 | S | A | 0.9510 | |
| 428 | P | A | 1.0258 | |
| 429 | Y | A | 2.0442 | |
| 430 | Y | A | 2.3971 | |
| 431 | Y | A | 2.0728 | |
| 432 | S | A | 0.8345 | |
| 433 | S | A | -0.1028 | |
| 434 | T | A | -0.6930 | |
| 435 | S | A | -1.3256 | |
| 436 | R | A | -2.1629 | |
| 437 | P | A | -1.3241 | |
| 438 | S | A | -0.8857 | |
| 439 | A | A | -0.5298 | |
| 440 | P | A | -0.4580 | |
| 441 | P | A | -0.4366 | |
| 442 | T | A | -0.2776 | |
| 443 | T | A | -0.1880 | |
| 444 | A | A | 0.1849 | |
| 445 | T | A | 0.2460 | |
| 446 | A | A | 0.3768 | |
| 447 | F | A | 0.9967 | |
| 448 | D | A | -0.9308 | |
| 449 | H | A | -0.5968 | |
| 450 | L | A | 0.8353 |
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