| Chain sequence(s) |
A: MAYFENVGKIEYEGANSENPLSFKYYNPDEKIGDRTMKDWLRFGVAWWHTFVYDGTDPYGHANREHPWKHLKGLERAKARVEAAFEFFEKLNVEYFCFHDVDIAPEGDTLTETFANLDKIVDYIEEKLKNSNVKVLFNTANMFSHPEFTDGAATSPNAEVFAYAAAKAKKGLEYAKRLNAEGYTFWGGREGYDDLLNYDFAFAEKLRAKFLKMVVDYAKEIGFKGTLLIEPKPKEPTKRNFDYDVATALAFLLKYGLQDHFKFNIEANHATLAGRTPAEELRIARDHGKLGSIDWNEGDPLLGWDTDEFPSNLLDATLIMYEILKAGGLGDGGLNLDAKVHRGDFEPESLFRGAITAMDTAAVGLKVAHKMLEEGVFEKFKEELYASFKKGIGKDIVEGKADMKKLWEAVKDLKEIKLKSRRIAELRSRLNQLLLTINS
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 (00:06:45)
[INFO] Main: Simulation completed successfully. (00:06:48)
|
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 | 0.7402 | |
| 2 | A | A | -0.3050 | |
| 3 | Y | A | -0.4845 | |
| 4 | F | A | 0.0000 | |
| 5 | E | A | -2.3647 | |
| 6 | N | A | -2.3145 | |
| 7 | V | A | 0.0000 | |
| 8 | G | A | -2.1564 | |
| 9 | K | A | -2.4981 | |
| 10 | I | A | 0.0000 | |
| 11 | E | A | -2.4070 | |
| 12 | Y | A | -1.1245 | |
| 13 | E | A | -2.1732 | |
| 14 | G | A | -1.4030 | |
| 15 | A | A | -1.1944 | |
| 16 | N | A | -2.0411 | |
| 17 | S | A | -2.0842 | |
| 18 | E | A | -2.6141 | |
| 19 | N | A | -1.8058 | |
| 20 | P | A | -1.0592 | |
| 21 | L | A | -1.1876 | |
| 22 | S | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | K | A | -1.0543 | |
| 25 | Y | A | -0.1643 | |
| 26 | Y | A | 0.0000 | |
| 27 | N | A | -1.6706 | |
| 28 | P | A | 0.0000 | |
| 29 | D | A | -3.0937 | |
| 30 | E | A | -3.0894 | |
| 31 | K | A | -3.6815 | |
| 32 | I | A | 0.0000 | |
| 33 | G | A | -2.4988 | |
| 34 | D | A | -2.8377 | |
| 35 | R | A | -2.9915 | |
| 36 | T | A | -3.1077 | |
| 37 | M | A | 0.0000 | |
| 38 | K | A | -2.2873 | |
| 39 | D | A | -2.6375 | |
| 40 | W | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | -1.1085 | |
| 43 | F | A | 0.0000 | |
| 44 | G | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | W | A | 0.0000 | |
| 48 | W | A | 0.2042 | |
| 49 | H | A | -0.1191 | |
| 50 | T | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | V | A | 0.2697 | |
| 53 | Y | A | 0.0479 | |
| 54 | D | A | -1.1236 | |
| 55 | G | A | 0.0000 | |
| 56 | T | A | -0.8891 | |
| 57 | D | A | -0.8155 | |
| 58 | P | A | -0.1056 | |
| 59 | Y | A | 0.7402 | |
| 60 | G | A | -0.3864 | |
| 61 | H | A | -1.1284 | |
| 62 | A | A | -1.1470 | |
| 63 | N | A | -1.3699 | |
| 64 | R | A | 0.0000 | |
| 65 | E | A | -2.3910 | |
| 66 | H | A | 0.0000 | |
| 67 | P | A | -1.2863 | |
| 68 | W | A | 0.0000 | |
| 69 | K | A | -2.7961 | |
| 70 | H | A | -2.2556 | |
| 71 | L | A | -2.2557 | |
| 72 | K | A | -2.8813 | |
| 73 | G | A | -1.8913 | |
| 74 | L | A | -1.7194 | |
| 75 | E | A | -2.8635 | |
| 76 | R | A | -2.8871 | |
| 77 | A | A | 0.0000 | |
| 78 | K | A | -2.1393 | |
| 79 | A | A | 0.0000 | |
| 80 | R | A | -1.2450 | |
| 81 | V | A | 0.0000 | |
| 82 | E | A | -1.0749 | |
| 83 | A | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | E | A | -1.1213 | |
| 87 | F | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | E | A | -2.1132 | |
| 90 | K | A | -1.9921 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -1.7030 | |
| 93 | V | A | 0.0000 | |
| 94 | E | A | -1.6538 | |
| 95 | Y | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | C | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | H | A | 0.0477 | |
| 100 | D | A | 0.0000 | |
| 101 | V | A | -0.0444 | |
| 102 | D | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | P | A | -1.2944 | |
| 106 | E | A | -2.4346 | |
| 107 | G | A | -2.3814 | |
| 108 | D | A | -2.5668 | |
| 109 | T | A | -1.5893 | |
| 110 | L | A | -0.8532 | |
| 111 | T | A | -1.0666 | |
| 112 | E | A | -2.2817 | |
| 113 | T | A | 0.0000 | |
| 114 | F | A | -0.9710 | |
| 115 | A | A | -1.2742 | |
| 116 | N | A | -1.5250 | |
| 117 | L | A | 0.0000 | |
| 118 | D | A | -1.9260 | |
| 119 | K | A | -2.2006 | |
| 120 | I | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | D | A | -2.6837 | |
| 123 | Y | A | -1.9729 | |
| 124 | I | A | 0.0000 | |
| 125 | E | A | -2.6059 | |
| 126 | E | A | -3.2367 | |
| 127 | K | A | -2.6747 | |
| 128 | L | A | -2.6746 | |
| 129 | K | A | -3.4176 | |
| 130 | N | A | -2.8619 | |
| 131 | S | A | -2.6037 | |
| 132 | N | A | -2.5237 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -2.4400 | |
| 135 | V | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | T | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | F | A | -0.5916 | |
| 144 | S | A | -0.5190 | |
| 145 | H | A | -1.0282 | |
| 146 | P | A | -1.4661 | |
| 147 | E | A | -2.6492 | |
| 148 | F | A | 0.0000 | |
| 149 | T | A | -1.7049 | |
| 150 | D | A | -2.6969 | |
| 151 | G | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | P | A | -1.3781 | |
| 157 | N | A | -2.3139 | |
| 158 | A | A | -1.2799 | |
| 159 | E | A | -2.2117 | |
| 160 | V | A | 0.0000 | |
| 161 | F | A | -0.4175 | |
| 162 | A | A | -0.4523 | |
| 163 | Y | A | -0.3142 | |
| 164 | A | A | 0.0000 | |
| 165 | A | A | -0.2387 | |
| 166 | A | A | -0.1726 | |
| 167 | K | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | K | A | -1.0388 | |
| 170 | K | A | -1.0476 | |
| 171 | G | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | E | A | -1.5301 | |
| 174 | Y | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | K | A | -2.3133 | |
| 177 | R | A | -2.1720 | |
| 178 | L | A | 0.0000 | |
| 179 | N | A | -2.5788 | |
| 180 | A | A | 0.0000 | |
| 181 | E | A | -1.5793 | |
| 182 | G | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | W | A | 0.1609 | |
| 187 | G | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | R | A | -1.4959 | |
| 190 | E | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | Y | A | -2.0165 | |
| 193 | D | A | -3.2948 | |
| 194 | D | A | -1.9893 | |
| 195 | L | A | 0.6356 | |
| 196 | L | A | 0.7279 | |
| 197 | N | A | -0.8524 | |
| 198 | Y | A | -0.5208 | |
| 199 | D | A | -0.4491 | |
| 200 | F | A | 0.6852 | |
| 201 | A | A | 0.3635 | |
| 202 | F | A | 0.7843 | |
| 203 | A | A | 0.0000 | |
| 204 | E | A | -0.5643 | |
| 205 | K | A | -1.3686 | |
| 206 | L | A | -0.8022 | |
| 207 | R | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | K | A | -2.3498 | |
| 210 | F | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | K | A | -1.9506 | |
| 213 | M | A | -1.5705 | |
| 214 | V | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | D | A | -2.9165 | |
| 217 | Y | A | -2.1938 | |
| 218 | A | A | 0.0000 | |
| 219 | K | A | -3.3908 | |
| 220 | E | A | -2.9349 | |
| 221 | I | A | -1.8491 | |
| 222 | G | A | -2.1573 | |
| 223 | F | A | 0.0000 | |
| 224 | K | A | -2.4443 | |
| 225 | G | A | -1.5461 | |
| 226 | T | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | K | A | 0.0000 | |
| 233 | P | A | 0.0000 | |
| 234 | K | A | -1.7205 | |
| 235 | E | A | -1.6626 | |
| 236 | P | A | -1.3414 | |
| 237 | T | A | -2.4942 | |
| 238 | K | A | -3.1103 | |
| 239 | R | A | -2.4783 | |
| 240 | N | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | D | A | 0.0000 | |
| 243 | Y | A | 0.1097 | |
| 244 | D | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | 0.0920 | |
| 247 | T | A | 0.1233 | |
| 248 | A | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | A | A | 0.0617 | |
| 251 | F | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | 0.3058 | |
| 254 | K | A | -1.0097 | |
| 255 | Y | A | -0.9621 | |
| 256 | G | A | -0.8840 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | -1.3453 | |
| 259 | D | A | -2.2001 | |
| 260 | H | A | -1.7222 | |
| 261 | F | A | 0.0000 | |
| 262 | K | A | -1.2655 | |
| 263 | F | A | 0.0000 | |
| 264 | N | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | E | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | H | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | T | A | -0.7836 | |
| 272 | L | A | 0.0000 | |
| 273 | A | A | -0.4061 | |
| 274 | G | A | -0.8109 | |
| 275 | R | A | -1.1520 | |
| 276 | T | A | -0.9332 | |
| 277 | P | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | E | A | -1.5585 | |
| 280 | E | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | R | A | -2.1345 | |
| 283 | I | A | -1.3509 | |
| 284 | A | A | 0.0000 | |
| 285 | R | A | -2.2839 | |
| 286 | D | A | -2.7677 | |
| 287 | H | A | -2.2476 | |
| 288 | G | A | -1.9504 | |
| 289 | K | A | -1.6751 | |
| 290 | L | A | -0.9190 | |
| 291 | G | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | W | A | 0.0000 | |
| 296 | N | A | 0.0000 | |
| 297 | E | A | -1.4589 | |
| 298 | G | A | -0.7151 | |
| 299 | D | A | -0.4158 | |
| 300 | P | A | 0.2187 | |
| 301 | L | A | 1.5310 | |
| 302 | L | A | 1.0705 | |
| 303 | G | A | 0.3678 | |
| 304 | W | A | 0.5709 | |
| 305 | D | A | -0.6349 | |
| 306 | T | A | -0.8449 | |
| 307 | D | A | -1.2461 | |
| 308 | E | A | -1.8249 | |
| 309 | F | A | -0.9638 | |
| 310 | P | A | 0.0000 | |
| 311 | S | A | -0.6758 | |
| 312 | N | A | -0.7434 | |
| 313 | L | A | 0.0819 | |
| 314 | L | A | -0.0878 | |
| 315 | D | A | -0.7696 | |
| 316 | A | A | 0.0000 | |
| 317 | T | A | 0.0000 | |
| 318 | L | A | 0.0326 | |
| 319 | I | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | Y | A | 0.0000 | |
| 322 | E | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | L | A | -0.3820 | |
| 325 | K | A | -1.2325 | |
| 326 | A | A | -1.1742 | |
| 327 | G | A | -0.7539 | |
| 328 | G | A | -0.8187 | |
| 329 | L | A | 0.0000 | |
| 330 | G | A | -1.0714 | |
| 331 | D | A | -1.0934 | |
| 332 | G | A | 0.0000 | |
| 333 | G | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | N | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | D | A | -0.4916 | |
| 338 | A | A | 0.0000 | |
| 339 | K | A | -1.1942 | |
| 340 | V | A | 0.0000 | |
| 341 | H | A | -1.8554 | |
| 342 | R | A | -1.7885 | |
| 343 | G | A | -1.3694 | |
| 344 | D | A | -1.7467 | |
| 345 | F | A | -0.9712 | |
| 346 | E | A | -1.4984 | |
| 347 | P | A | -1.4302 | |
| 348 | E | A | -1.3116 | |
| 349 | S | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | F | A | 0.0000 | |
| 352 | R | A | -1.0777 | |
| 353 | G | A | -0.9551 | |
| 354 | A | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | T | A | -0.2641 | |
| 357 | A | A | 0.0000 | |
| 358 | M | A | 0.0000 | |
| 359 | D | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | G | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | K | A | -0.8921 | |
| 367 | V | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | H | A | -1.3759 | |
| 370 | K | A | -1.8124 | |
| 371 | M | A | 0.0000 | |
| 372 | L | A | -1.0976 | |
| 373 | E | A | -2.3519 | |
| 374 | E | A | -1.6925 | |
| 375 | G | A | 0.0000 | |
| 376 | V | A | -0.6256 | |
| 377 | F | A | -0.6136 | |
| 378 | E | A | -1.8932 | |
| 379 | K | A | -2.8803 | |
| 380 | F | A | -2.1627 | |
| 381 | K | A | -2.3552 | |
| 382 | E | A | -3.2450 | |
| 383 | E | A | -3.1225 | |
| 384 | L | A | -1.5729 | |
| 385 | Y | A | -0.3141 | |
| 386 | A | A | -1.2985 | |
| 387 | S | A | -0.8329 | |
| 388 | F | A | 0.0427 | |
| 389 | K | A | -2.2179 | |
| 390 | K | A | -2.4222 | |
| 391 | G | A | -1.3773 | |
| 392 | I | A | -0.2879 | |
| 393 | G | A | 0.0000 | |
| 394 | K | A | -2.0477 | |
| 395 | D | A | -2.0180 | |
| 396 | I | A | -0.2262 | |
| 397 | V | A | 0.2949 | |
| 398 | E | A | -1.9112 | |
| 399 | G | A | -1.7924 | |
| 400 | K | A | -2.6413 | |
| 401 | A | A | -1.6657 | |
| 402 | D | A | -1.4777 | |
| 403 | M | A | -0.3903 | |
| 404 | K | A | -2.0987 | |
| 405 | K | A | -2.2298 | |
| 406 | L | A | -0.2724 | |
| 407 | W | A | -0.5653 | |
| 408 | E | A | -2.1358 | |
| 409 | A | A | -0.7375 | |
| 410 | V | A | 0.0250 | |
| 411 | K | A | -1.5423 | |
| 412 | D | A | -2.2894 | |
| 413 | L | A | -0.8597 | |
| 414 | K | A | -2.0834 | |
| 415 | E | A | -1.6718 | |
| 416 | I | A | 0.7245 | |
| 417 | K | A | -0.8417 | |
| 418 | L | A | -0.0246 | |
| 419 | K | A | -2.0680 | |
| 420 | S | A | -1.7299 | |
| 421 | R | A | -2.0798 | |
| 422 | R | A | -1.9783 | |
| 423 | I | A | 0.0369 | |
| 424 | A | A | -0.8082 | |
| 425 | E | A | -1.9443 | |
| 426 | L | A | -1.3170 | |
| 427 | R | A | -2.0174 | |
| 428 | S | A | -1.7167 | |
| 429 | R | A | -1.6055 | |
| 430 | L | A | 0.0000 | |
| 431 | N | A | -1.2003 | |
| 432 | Q | A | -1.1488 | |
| 433 | L | A | 0.0000 | |
| 434 | L | A | 0.2276 | |
| 435 | L | A | 0.9895 | |
| 436 | T | A | 0.1016 | |
| 437 | I | A | -0.2283 | |
| 438 | N | A | -0.9022 | |
| 439 | S | A | -0.4837 |
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