| Chain sequence(s) |
A: MAFLGLFSLLVLQSMATGATFPEEAIADLSVNMYNRLRATGEDENILFSPLSIALAMGMMELGAQGSTQKEIRHSMGYDSLKNGEEFSFLKEFSNMVTAKESQYVMKIANSLFVQNGFHVNEEFLQMMKKYFNAAVNHVDFSQNVAVANYINKWVENNTNNLVKDLVSPRDFDAATYLALINAVYFKGNWKSQFRPENTRTFSFTKDDESEVQIPMMYQQGEFYYGEFSDGSNEAGGIYQVLEIPYEGDEISMMLVLSRQEVPLATLEPLVKAQLVEEWANSVKKQKVEVYLPRFTVEQEIDLKDVLKALGITEIFIKDANLTGLSDNKEIFLSKAIHKSFLEVNEEGSEAAAVSGMIAISRMAVLYPQVIVDHPFFFLIRNRRTGTILFMGRVMHPETMNTSGHDFEEL
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] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:08)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:07)
[INFO] Main: Simulation completed successfully. (00:05:10)
|
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 | 1.3320 | |
| 2 | A | A | 1.1415 | |
| 3 | F | A | 1.5309 | |
| 4 | L | A | 1.1223 | |
| 5 | G | A | 1.0999 | |
| 6 | L | A | 2.0883 | |
| 7 | F | A | 0.0000 | |
| 8 | S | A | 0.9948 | |
| 9 | L | A | 1.8359 | |
| 10 | L | A | 0.5255 | |
| 11 | V | A | 0.0000 | |
| 12 | L | A | 1.3275 | |
| 13 | Q | A | -0.2449 | |
| 14 | S | A | 0.0000 | |
| 15 | M | A | -0.0835 | |
| 16 | A | A | -0.1853 | |
| 17 | T | A | -0.3900 | |
| 18 | G | A | -0.7518 | |
| 19 | A | A | -0.4025 | |
| 20 | T | A | -0.4977 | |
| 21 | F | A | -0.8619 | |
| 22 | P | A | -1.6576 | |
| 23 | E | A | -2.9286 | |
| 24 | E | A | -3.4948 | |
| 25 | A | A | -1.9896 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | -2.4154 | |
| 28 | D | A | -2.6751 | |
| 29 | L | A | -1.0726 | |
| 30 | S | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | N | A | -1.3123 | |
| 33 | M | A | 0.0000 | |
| 34 | Y | A | 0.0000 | |
| 35 | N | A | -1.0668 | |
| 36 | R | A | -1.0270 | |
| 37 | L | A | 0.0000 | |
| 38 | R | A | -1.8263 | |
| 39 | A | A | -0.9552 | |
| 40 | T | A | -1.2260 | |
| 41 | G | A | -2.0898 | |
| 42 | E | A | -3.2397 | |
| 43 | D | A | -3.8489 | |
| 44 | E | A | -2.8741 | |
| 45 | N | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | P | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | M | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | E | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | Q | A | -1.1630 | |
| 66 | G | A | -1.2946 | |
| 67 | S | A | -1.6235 | |
| 68 | T | A | 0.0000 | |
| 69 | Q | A | -1.7358 | |
| 70 | K | A | -2.7362 | |
| 71 | E | A | -2.0850 | |
| 72 | I | A | 0.0000 | |
| 73 | R | A | -1.7810 | |
| 74 | H | A | -2.1924 | |
| 75 | S | A | -1.2893 | |
| 76 | M | A | 0.0000 | |
| 77 | G | A | -1.4586 | |
| 78 | Y | A | 0.0000 | |
| 79 | D | A | -1.8572 | |
| 80 | S | A | -1.2206 | |
| 81 | L | A | -1.3312 | |
| 82 | K | A | -2.2982 | |
| 83 | N | A | -1.5619 | |
| 84 | G | A | 0.0000 | |
| 85 | E | A | -1.0718 | |
| 86 | E | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | S | A | -0.4666 | |
| 89 | F | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -1.6434 | |
| 92 | E | A | -1.2166 | |
| 93 | F | A | 0.0000 | |
| 94 | S | A | -1.2657 | |
| 95 | N | A | -1.7678 | |
| 96 | M | A | 0.0000 | |
| 97 | V | A | -0.5962 | |
| 98 | T | A | -0.9712 | |
| 99 | A | A | -1.5549 | |
| 100 | K | A | -2.8147 | |
| 101 | E | A | -2.7055 | |
| 102 | S | A | -1.8602 | |
| 103 | Q | A | -2.2651 | |
| 104 | Y | A | 0.0000 | |
| 105 | V | A | -0.7128 | |
| 106 | M | A | 0.0000 | |
| 107 | K | A | -0.4442 | |
| 108 | I | A | -0.3660 | |
| 109 | A | A | 0.0000 | |
| 110 | N | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | Q | A | -1.2230 | |
| 116 | N | A | -2.0454 | |
| 117 | G | A | -1.4916 | |
| 118 | F | A | -1.6123 | |
| 119 | H | A | -2.0317 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | -1.9542 | |
| 122 | E | A | -2.6189 | |
| 123 | E | A | -1.9214 | |
| 124 | F | A | 0.0000 | |
| 125 | L | A | -1.9554 | |
| 126 | Q | A | -2.8608 | |
| 127 | M | A | 0.0000 | |
| 128 | M | A | 0.0000 | |
| 129 | K | A | -3.1999 | |
| 130 | K | A | -3.0485 | |
| 131 | Y | A | -1.7015 | |
| 132 | F | A | 0.0000 | |
| 133 | N | A | -2.1133 | |
| 134 | A | A | 0.0000 | |
| 135 | A | A | -1.0134 | |
| 136 | V | A | -0.3689 | |
| 137 | N | A | -0.5651 | |
| 138 | H | A | -1.4489 | |
| 139 | V | A | 0.0000 | |
| 140 | D | A | -1.5812 | |
| 141 | F | A | 0.0000 | |
| 142 | S | A | -1.1782 | |
| 143 | Q | A | -1.2844 | |
| 144 | N | A | -1.1292 | |
| 145 | V | A | 0.5235 | |
| 146 | A | A | 0.1055 | |
| 147 | V | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | N | A | -1.1708 | |
| 150 | Y | A | -0.0687 | |
| 151 | I | A | 0.0000 | |
| 152 | N | A | -2.3013 | |
| 153 | K | A | -2.8304 | |
| 154 | W | A | -1.5311 | |
| 155 | V | A | 0.0000 | |
| 156 | E | A | 0.0000 | |
| 157 | N | A | -2.7965 | |
| 158 | N | A | -1.9917 | |
| 159 | T | A | 0.0000 | |
| 160 | N | A | -2.3953 | |
| 161 | N | A | -2.4723 | |
| 162 | L | A | -1.0257 | |
| 163 | V | A | 0.0000 | |
| 164 | K | A | -3.0966 | |
| 165 | D | A | -3.2268 | |
| 166 | L | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | S | A | -1.3365 | |
| 169 | P | A | -1.3421 | |
| 170 | R | A | -2.5133 | |
| 171 | D | A | -1.7265 | |
| 172 | F | A | 0.0000 | |
| 173 | D | A | -2.5897 | |
| 174 | A | A | -1.1944 | |
| 175 | A | A | -0.3290 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | -0.0838 | |
| 178 | L | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | N | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | F | A | 0.0000 | |
| 187 | K | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | N | A | -1.8231 | |
| 190 | W | A | 0.0000 | |
| 191 | K | A | -2.9523 | |
| 192 | S | A | -2.3692 | |
| 193 | Q | A | -2.4672 | |
| 194 | F | A | 0.0000 | |
| 195 | R | A | -3.0474 | |
| 196 | P | A | -2.5737 | |
| 197 | E | A | -2.8394 | |
| 198 | N | A | -2.3964 | |
| 199 | T | A | -2.0780 | |
| 200 | R | A | -2.1938 | |
| 201 | T | A | -0.8717 | |
| 202 | F | A | -0.1791 | |
| 203 | S | A | -0.6226 | |
| 204 | F | A | 0.0000 | |
| 205 | T | A | -2.3721 | |
| 206 | K | A | -2.7773 | |
| 207 | D | A | -3.3249 | |
| 208 | D | A | -3.7081 | |
| 209 | E | A | -3.6944 | |
| 210 | S | A | -2.5969 | |
| 211 | E | A | -2.8142 | |
| 212 | V | A | -1.4980 | |
| 213 | Q | A | -1.5678 | |
| 214 | I | A | 0.0000 | |
| 215 | P | A | -1.1230 | |
| 216 | M | A | 0.0000 | |
| 217 | M | A | 0.0000 | |
| 218 | Y | A | -1.0012 | |
| 219 | Q | A | 0.0000 | |
| 220 | Q | A | -1.5932 | |
| 221 | G | A | 0.0000 | |
| 222 | E | A | -3.1491 | |
| 223 | F | A | 0.0000 | |
| 224 | Y | A | -1.7787 | |
| 225 | Y | A | 0.0000 | |
| 226 | G | A | -1.6826 | |
| 227 | E | A | -1.9114 | |
| 228 | F | A | -0.9300 | |
| 229 | S | A | -1.1829 | |
| 230 | D | A | -1.3368 | |
| 231 | G | A | -1.3415 | |
| 232 | S | A | -1.7694 | |
| 233 | N | A | -2.4627 | |
| 234 | E | A | -2.6252 | |
| 235 | A | A | -1.1883 | |
| 236 | G | A | -0.9860 | |
| 237 | G | A | -1.4385 | |
| 238 | I | A | -0.8071 | |
| 239 | Y | A | 0.0000 | |
| 240 | Q | A | -0.9944 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | E | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | Y | A | 0.0000 | |
| 247 | E | A | -2.4857 | |
| 248 | G | A | -2.0585 | |
| 249 | D | A | -2.6090 | |
| 250 | E | A | -2.0436 | |
| 251 | I | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | M | A | 0.0000 | |
| 254 | M | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | R | A | -1.9173 | |
| 260 | Q | A | -2.5229 | |
| 261 | E | A | -2.8275 | |
| 262 | V | A | -1.3480 | |
| 263 | P | A | -1.4410 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | -0.5417 | |
| 266 | T | A | -0.0243 | |
| 267 | L | A | 0.0000 | |
| 268 | E | A | 0.0000 | |
| 269 | P | A | -0.3057 | |
| 270 | L | A | -0.2302 | |
| 271 | V | A | 0.0000 | |
| 272 | K | A | -2.0846 | |
| 273 | A | A | -2.6715 | |
| 274 | Q | A | -2.7989 | |
| 275 | L | A | -1.8428 | |
| 276 | V | A | 0.0000 | |
| 277 | E | A | -3.5260 | |
| 278 | E | A | -2.9728 | |
| 279 | W | A | 0.0000 | |
| 280 | A | A | -2.0813 | |
| 281 | N | A | -2.4654 | |
| 282 | S | A | -2.1283 | |
| 283 | V | A | 0.0000 | |
| 284 | K | A | -3.2450 | |
| 285 | K | A | -3.2433 | |
| 286 | Q | A | -2.5722 | |
| 287 | K | A | -2.1674 | |
| 288 | V | A | 0.0000 | |
| 289 | E | A | -1.2133 | |
| 290 | V | A | 0.0000 | |
| 291 | Y | A | -0.0795 | |
| 292 | L | A | 0.0000 | |
| 293 | P | A | 0.0000 | |
| 294 | R | A | -1.0606 | |
| 295 | F | A | 0.0000 | |
| 296 | T | A | -0.6812 | |
| 297 | V | A | 0.0000 | |
| 298 | E | A | -1.7333 | |
| 299 | Q | A | 0.0000 | |
| 300 | E | A | -2.4724 | |
| 301 | I | A | 0.0000 | |
| 302 | D | A | -1.8671 | |
| 303 | L | A | 0.0000 | |
| 304 | K | A | -1.8217 | |
| 305 | D | A | -2.4700 | |
| 306 | V | A | -1.4309 | |
| 307 | L | A | 0.0000 | |
| 308 | K | A | -1.7494 | |
| 309 | A | A | -0.9646 | |
| 310 | L | A | -0.7265 | |
| 311 | G | A | -0.7853 | |
| 312 | I | A | 0.0000 | |
| 313 | T | A | -0.8453 | |
| 314 | E | A | -1.1759 | |
| 315 | I | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | I | A | -0.1760 | |
| 318 | K | A | -2.4685 | |
| 319 | D | A | -2.7237 | |
| 320 | A | A | -1.7851 | |
| 321 | N | A | -1.9024 | |
| 322 | L | A | 0.0000 | |
| 323 | T | A | -1.3187 | |
| 324 | G | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | 0.0000 | |
| 327 | D | A | -2.8295 | |
| 328 | N | A | -2.6442 | |
| 329 | K | A | -3.4256 | |
| 330 | E | A | -2.6864 | |
| 331 | I | A | 0.0000 | |
| 332 | F | A | -0.7590 | |
| 333 | L | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | K | A | -0.6505 | |
| 336 | A | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | H | A | 0.0000 | |
| 339 | K | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | F | A | -0.8157 | |
| 342 | L | A | 0.0000 | |
| 343 | E | A | -0.7076 | |
| 344 | V | A | 0.0000 | |
| 345 | N | A | -1.2611 | |
| 346 | E | A | 0.0000 | |
| 347 | E | A | -2.7973 | |
| 348 | G | A | -2.5199 | |
| 349 | S | A | -2.1790 | |
| 350 | E | A | -2.6223 | |
| 351 | A | A | -1.4432 | |
| 352 | A | A | -0.1761 | |
| 353 | A | A | 0.6473 | |
| 354 | V | A | 2.0896 | |
| 355 | S | A | 0.9723 | |
| 356 | G | A | 1.0178 | |
| 357 | M | A | 1.9752 | |
| 358 | I | A | 2.2923 | |
| 359 | A | A | 0.9423 | |
| 360 | I | A | 0.6540 | |
| 361 | S | A | 0.4873 | |
| 362 | R | A | -0.5886 | |
| 363 | M | A | 0.7093 | |
| 364 | A | A | 0.9346 | |
| 365 | V | A | 2.1620 | |
| 366 | L | A | 2.0748 | |
| 367 | Y | A | 0.7491 | |
| 368 | P | A | -0.2999 | |
| 369 | Q | A | -0.9163 | |
| 370 | V | A | 0.0000 | |
| 371 | I | A | 0.0090 | |
| 372 | V | A | 0.0000 | |
| 373 | D | A | -0.3544 | |
| 374 | H | A | 0.0000 | |
| 375 | P | A | 0.0000 | |
| 376 | F | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | F | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | R | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | R | A | -1.8093 | |
| 384 | R | A | -2.4574 | |
| 385 | T | A | -1.5732 | |
| 386 | G | A | -1.9599 | |
| 387 | T | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | R | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | M | A | 0.0000 | |
| 396 | H | A | -1.0323 | |
| 397 | P | A | 0.0000 | |
| 398 | E | A | -0.7874 | |
| 399 | T | A | -0.2962 | |
| 400 | M | A | 0.0268 | |
| 401 | N | A | -1.0316 | |
| 402 | T | A | -0.7244 | |
| 403 | S | A | -1.2013 | |
| 404 | G | A | -1.6180 | |
| 405 | H | A | -1.7998 | |
| 406 | D | A | -2.2288 | |
| 407 | F | A | -0.5928 | |
| 408 | E | A | -1.9674 | |
| 409 | E | A | -1.8166 | |
| 410 | L | A | 0.1907 |
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