| Chain sequence(s) |
A: MAITKIHARSVYDSRGNPTVEVDVVTETGLHRAIVPSGASTGQHEACELRDGDKSKWLGKGVLTAVKNVNETIGPAVIKHGVDVKDQSKVDEFLNKLDGTPNKSKLGANAILGVSLAIAKAGAAEKGVPLYAHVSDLAGTKKPYVLPVPFQNVLNGGSHAGGRLAFQEFMIVPSTAPSFSEALRQGTEVYHKLKALAKAKYGPSAGNVGDEGGVAPDIQTAEEALDLITEAIEQAGYTGKVKIAIDVASSEFYKTDEKKYDLDFKNPDSDKSKWLTYEQLADLYKQLASKYPIVSIEDPFAEDDWEAWSYFFKTADCQIVGDDITVTNPLRIKKAIELKACNALLLKVNQIGTLTESIQAAKDSYAAGWGVMVSHRSGETEDVTIADIVVGLRAGQIKTGAPARSERLAKLNQILRIEEELGSNAVYAGEKFRNAVEM
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 (00:09:24)
[INFO] Main: Simulation completed successfully. (00:09:28)
|
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 | -0.7758 | |
| 2 | A | A | -0.5447 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.0970 | |
| 5 | K | A | -1.4226 | |
| 6 | I | A | 0.0000 | |
| 7 | H | A | -1.6148 | |
| 8 | A | A | 0.0000 | |
| 9 | R | A | -0.7536 | |
| 10 | S | A | 0.1771 | |
| 11 | V | A | 0.6948 | |
| 12 | Y | A | 0.9473 | |
| 13 | D | A | 0.0000 | |
| 14 | S | A | -0.6908 | |
| 15 | R | A | -0.7510 | |
| 16 | G | A | -0.2782 | |
| 17 | N | A | -0.0008 | |
| 18 | P | A | 0.0000 | |
| 19 | T | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | E | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | D | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | V | A | -0.2384 | |
| 26 | T | A | 0.0000 | |
| 27 | E | A | -1.6324 | |
| 28 | T | A | -0.7830 | |
| 29 | G | A | -0.1085 | |
| 30 | L | A | 0.7879 | |
| 31 | H | A | 0.0817 | |
| 32 | R | A | -0.9265 | |
| 33 | A | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | P | A | -0.2062 | |
| 37 | S | A | 0.0000 | |
| 38 | G | A | -0.2584 | |
| 39 | A | A | -0.2326 | |
| 40 | S | A | -0.4817 | |
| 41 | T | A | -0.5325 | |
| 42 | G | A | 0.0000 | |
| 43 | Q | A | -1.5250 | |
| 44 | H | A | -0.9569 | |
| 45 | E | A | 0.0000 | |
| 46 | A | A | -0.5361 | |
| 47 | C | A | -0.6884 | |
| 48 | E | A | -0.8278 | |
| 49 | L | A | -0.7669 | |
| 50 | R | A | -1.1750 | |
| 51 | D | A | -1.4779 | |
| 52 | G | A | -1.8070 | |
| 53 | D | A | -2.2429 | |
| 54 | K | A | -2.2178 | |
| 55 | S | A | -1.5101 | |
| 56 | K | A | -1.6790 | |
| 57 | W | A | -0.4585 | |
| 58 | L | A | 0.0235 | |
| 59 | G | A | -1.5499 | |
| 60 | K | A | -1.3404 | |
| 61 | G | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | L | A | -0.2449 | |
| 64 | T | A | -0.5577 | |
| 65 | A | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | K | A | -2.0106 | |
| 68 | N | A | -1.6123 | |
| 69 | V | A | 0.0000 | |
| 70 | N | A | -2.2863 | |
| 71 | E | A | -2.5630 | |
| 72 | T | A | -1.2960 | |
| 73 | I | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | P | A | -1.3463 | |
| 76 | A | A | -0.9903 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | -0.9953 | |
| 79 | K | A | -2.0452 | |
| 80 | H | A | -1.9057 | |
| 81 | G | A | -1.4457 | |
| 82 | V | A | 0.0000 | |
| 83 | D | A | -1.7561 | |
| 84 | V | A | 0.0000 | |
| 85 | K | A | -1.6892 | |
| 86 | D | A | -1.7682 | |
| 87 | Q | A | 0.0000 | |
| 88 | S | A | -1.6464 | |
| 89 | K | A | -2.2567 | |
| 90 | V | A | 0.0000 | |
| 91 | D | A | 0.0000 | |
| 92 | E | A | -2.7054 | |
| 93 | F | A | -1.7487 | |
| 94 | L | A | 0.0000 | |
| 95 | N | A | -1.9014 | |
| 96 | K | A | -2.2969 | |
| 97 | L | A | -1.1264 | |
| 98 | D | A | 0.0000 | |
| 99 | G | A | -1.5309 | |
| 100 | T | A | -1.2235 | |
| 101 | P | A | -1.0138 | |
| 102 | N | A | -1.0717 | |
| 103 | K | A | 0.0000 | |
| 104 | S | A | -1.2038 | |
| 105 | K | A | -1.9284 | |
| 106 | L | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | N | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | I | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | K | A | -0.4395 | |
| 121 | A | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | A | A | -0.6860 | |
| 125 | E | A | -1.4161 | |
| 126 | K | A | -0.9518 | |
| 127 | G | A | -0.6104 | |
| 128 | V | A | 0.0940 | |
| 129 | P | A | -0.1230 | |
| 130 | L | A | -0.0806 | |
| 131 | Y | A | 0.0000 | |
| 132 | A | A | -0.3005 | |
| 133 | H | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | D | A | -1.9657 | |
| 137 | L | A | -0.8767 | |
| 138 | A | A | 0.0000 | |
| 139 | G | A | -1.6514 | |
| 140 | T | A | -2.0005 | |
| 141 | K | A | -2.9688 | |
| 142 | K | A | -2.5246 | |
| 143 | P | A | -1.4840 | |
| 144 | Y | A | -0.7767 | |
| 145 | V | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | Q | A | 0.0000 | |
| 152 | N | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | S | A | -0.7177 | |
| 159 | H | A | -0.4219 | |
| 160 | A | A | -0.8454 | |
| 161 | G | A | -1.1760 | |
| 162 | G | A | -1.7556 | |
| 163 | R | A | -1.9518 | |
| 164 | L | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | F | A | 0.0000 | |
| 167 | Q | A | -0.3180 | |
| 168 | E | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | T | A | -1.2797 | |
| 176 | A | A | 0.0000 | |
| 177 | P | A | -0.3311 | |
| 178 | S | A | -0.3166 | |
| 179 | F | A | 0.0000 | |
| 180 | S | A | -1.0781 | |
| 181 | E | A | -0.9608 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | R | A | -1.2593 | |
| 185 | Q | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -1.0314 | |
| 188 | E | A | -1.5894 | |
| 189 | V | A | 0.0000 | |
| 190 | Y | A | 0.0000 | |
| 191 | H | A | -1.6444 | |
| 192 | K | A | -2.1456 | |
| 193 | L | A | 0.0000 | |
| 194 | K | A | -1.2531 | |
| 195 | A | A | -1.0794 | |
| 196 | L | A | -1.2081 | |
| 197 | A | A | 0.0000 | |
| 198 | K | A | -1.6507 | |
| 199 | A | A | -1.1263 | |
| 200 | K | A | -1.9715 | |
| 201 | Y | A | -1.2887 | |
| 202 | G | A | -1.1265 | |
| 203 | P | A | -1.1392 | |
| 204 | S | A | -1.0029 | |
| 205 | A | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | N | A | -1.2261 | |
| 208 | V | A | -0.2669 | |
| 209 | G | A | -0.4852 | |
| 210 | D | A | -0.6997 | |
| 211 | E | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | A | A | -0.6922 | |
| 216 | P | A | 0.0000 | |
| 217 | D | A | -2.4596 | |
| 218 | I | A | 0.0000 | |
| 219 | Q | A | -1.8637 | |
| 220 | T | A | -1.2340 | |
| 221 | A | A | -0.8886 | |
| 222 | E | A | -1.9676 | |
| 223 | E | A | -1.4903 | |
| 224 | A | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | D | A | -2.2197 | |
| 227 | L | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | T | A | -1.8875 | |
| 230 | E | A | -2.7969 | |
| 231 | A | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | E | A | -3.2664 | |
| 234 | Q | A | -2.6802 | |
| 235 | A | A | -2.0033 | |
| 236 | G | A | -1.8553 | |
| 237 | Y | A | 0.0000 | |
| 238 | T | A | -1.7985 | |
| 239 | G | A | -1.4277 | |
| 240 | K | A | -1.6739 | |
| 241 | V | A | 0.0000 | |
| 242 | K | A | -0.9415 | |
| 243 | I | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | D | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | A | A | -0.4150 | |
| 249 | S | A | 0.0000 | |
| 250 | S | A | -0.9007 | |
| 251 | E | A | -1.0772 | |
| 252 | F | A | 0.0000 | |
| 253 | Y | A | -1.1187 | |
| 254 | K | A | -2.2614 | |
| 255 | T | A | -2.4105 | |
| 256 | D | A | -3.1385 | |
| 257 | E | A | -3.4187 | |
| 258 | K | A | -3.1149 | |
| 259 | K | A | -2.4951 | |
| 260 | Y | A | 0.0000 | |
| 261 | D | A | 0.0000 | |
| 262 | L | A | -0.4998 | |
| 263 | D | A | -1.5236 | |
| 264 | F | A | -1.0412 | |
| 265 | K | A | -1.2637 | |
| 266 | N | A | -1.5058 | |
| 267 | P | A | -1.4963 | |
| 268 | D | A | -2.6364 | |
| 269 | S | A | -2.5028 | |
| 270 | D | A | -3.3077 | |
| 271 | K | A | -3.5045 | |
| 272 | S | A | -2.2598 | |
| 273 | K | A | -2.7491 | |
| 274 | W | A | 0.0000 | |
| 275 | L | A | -1.3056 | |
| 276 | T | A | -1.4173 | |
| 277 | Y | A | -1.1821 | |
| 278 | E | A | -1.5515 | |
| 279 | Q | A | -1.9399 | |
| 280 | L | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | D | A | -2.5442 | |
| 283 | L | A | -1.5132 | |
| 284 | Y | A | 0.0000 | |
| 285 | K | A | -2.5140 | |
| 286 | Q | A | -2.4991 | |
| 287 | L | A | 0.0000 | |
| 288 | A | A | -1.6796 | |
| 289 | S | A | -1.6642 | |
| 290 | K | A | -2.4928 | |
| 291 | Y | A | 0.0000 | |
| 292 | P | A | -0.8837 | |
| 293 | I | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | E | A | 0.0000 | |
| 298 | D | A | 0.0000 | |
| 299 | P | A | 0.0000 | |
| 300 | F | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | E | A | -1.4076 | |
| 303 | D | A | -2.2522 | |
| 304 | D | A | 0.0000 | |
| 305 | W | A | -1.4869 | |
| 306 | E | A | -1.8794 | |
| 307 | A | A | 0.0000 | |
| 308 | W | A | 0.0000 | |
| 309 | S | A | -1.1231 | |
| 310 | Y | A | -0.5941 | |
| 311 | F | A | 0.0000 | |
| 312 | F | A | -1.0703 | |
| 313 | K | A | -1.8748 | |
| 314 | T | A | -1.3361 | |
| 315 | A | A | -1.2874 | |
| 316 | D | A | -2.0757 | |
| 317 | C | A | 0.0000 | |
| 318 | Q | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | D | A | -0.3595 | |
| 323 | D | A | -0.8922 | |
| 324 | I | A | 0.0000 | |
| 325 | T | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | N | A | -0.3516 | |
| 329 | P | A | -0.2888 | |
| 330 | L | A | 0.6140 | |
| 331 | R | A | -0.6117 | |
| 332 | I | A | 0.0000 | |
| 333 | K | A | -1.9624 | |
| 334 | K | A | -2.0872 | |
| 335 | A | A | 0.0000 | |
| 336 | I | A | -1.7752 | |
| 337 | E | A | -2.6923 | |
| 338 | L | A | -1.7113 | |
| 339 | K | A | -2.4994 | |
| 340 | A | A | 0.0000 | |
| 341 | C | A | 0.0000 | |
| 342 | N | A | -0.6723 | |
| 343 | A | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.2904 | |
| 348 | V | A | 0.0000 | |
| 349 | N | A | -0.2839 | |
| 350 | Q | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | T | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | T | A | -0.9523 | |
| 356 | E | A | -1.1439 | |
| 357 | S | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | Q | A | -1.5171 | |
| 360 | A | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | K | A | -1.5065 | |
| 363 | D | A | -1.1714 | |
| 364 | S | A | 0.0000 | |
| 365 | Y | A | -0.9008 | |
| 366 | A | A | -0.3643 | |
| 367 | A | A | -0.8278 | |
| 368 | G | A | -0.9458 | |
| 369 | W | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | M | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | S | A | 0.0000 | |
| 375 | H | A | 0.0000 | |
| 376 | R | A | 0.0000 | |
| 377 | S | A | -0.3428 | |
| 378 | G | A | 0.0000 | |
| 379 | E | A | 0.0000 | |
| 380 | T | A | 0.0000 | |
| 381 | E | A | -1.6749 | |
| 382 | D | A | -1.0670 | |
| 383 | V | A | -0.2218 | |
| 384 | T | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | A | A | 0.0000 | |
| 387 | D | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | G | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | R | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | G | A | 0.0000 | |
| 396 | Q | A | 0.0000 | |
| 397 | I | A | 0.0000 | |
| 398 | K | A | 0.0000 | |
| 399 | T | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | P | A | 0.0000 | |
| 403 | A | A | -0.2048 | |
| 404 | R | A | -0.5481 | |
| 405 | S | A | -0.7660 | |
| 406 | E | A | 0.0000 | |
| 407 | R | A | 0.0000 | |
| 408 | L | A | -0.1808 | |
| 409 | A | A | -0.5612 | |
| 410 | K | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | N | A | -0.9597 | |
| 413 | Q | A | -1.1010 | |
| 414 | I | A | 0.0000 | |
| 415 | L | A | -1.7484 | |
| 416 | R | A | -3.1895 | |
| 417 | I | A | 0.0000 | |
| 418 | E | A | -2.4193 | |
| 419 | E | A | -3.6677 | |
| 420 | E | A | -3.5089 | |
| 421 | L | A | 0.0000 | |
| 422 | G | A | -2.1424 | |
| 423 | S | A | -1.1772 | |
| 424 | N | A | -1.6591 | |
| 425 | A | A | -0.9715 | |
| 426 | V | A | 0.2401 | |
| 427 | Y | A | -0.0043 | |
| 428 | A | A | 0.0000 | |
| 429 | G | A | 0.0000 | |
| 430 | E | A | -2.6231 | |
| 431 | K | A | -2.6560 | |
| 432 | F | A | 0.0000 | |
| 433 | R | A | -2.0302 | |
| 434 | N | A | -2.2458 | |
| 435 | A | A | 0.0000 | |
| 436 | V | A | -1.4697 | |
| 437 | E | A | -2.1756 | |
| 438 | M | A | -0.9967 |
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