| Chain sequence(s) |
A: GPHMKRRYNVITIFPEEMINEIFKYGVLSKGIDIGLFRVNNPINLRDYTEDKHKTVDDYQYGGGHGLVMKPEPIYKAIADLKSKKDTHVVFLDPRGEQFTQKTAERLYNYDDITFVCGRYEGIDDRVRELMADEMISIGDFVITGGELAAVTIIDAVARLIPGVLGDENSPNEESFTTGLLEYPHFTRPAEFMGKKVPEVLISGNHEEIRRWRLTESIKTTLQNRPDMILRRKSLSREEEQQILWSLTRGVQRKYNIYVALMHYPMRDKEGKVVTTSITNMDLHDDISRSSCRTFGVKNYFVVNPMMPAQREIASRVVRRHWIKGYGATYNENRKEAFEYTIITDSLASVIKSIEEKESGSPIIIATTARYQQKAISIEKLKEIADRPILLLFGTGWGFVDDILEFADYVLKPIHGVGDFNHLSVRSAVAIYLDRINRSFQE
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 (00:07:01)
[INFO] Main: Simulation completed successfully. (00:07:04)
|
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 | |
| -2 | G | A | -1.0644 | |
| -1 | P | A | -0.8905 | |
| 0 | H | A | -1.2377 | |
| 1 | M | A | -0.7947 | |
| 2 | K | A | 0.0000 | |
| 3 | R | A | -1.4637 | |
| 4 | Y | A | 0.0000 | |
| 5 | N | A | 0.0000 | |
| 6 | V | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | T | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | F | A | 0.6771 | |
| 11 | P | A | -0.7308 | |
| 12 | E | A | -1.8239 | |
| 13 | M | A | -0.4673 | |
| 14 | I | A | 0.0000 | |
| 15 | N | A | -1.7351 | |
| 16 | E | A | -2.3007 | |
| 17 | I | A | -0.5988 | |
| 18 | F | A | 0.0000 | |
| 19 | K | A | -1.8696 | |
| 20 | Y | A | 0.0499 | |
| 21 | G | A | 0.0036 | |
| 22 | V | A | -0.2331 | |
| 23 | L | A | 0.0000 | |
| 24 | S | A | -0.9092 | |
| 25 | K | A | -1.2605 | |
| 26 | G | A | 0.0000 | |
| 27 | I | A | -0.9427 | |
| 28 | D | A | -1.5178 | |
| 29 | I | A | 0.6845 | |
| 30 | G | A | -0.0725 | |
| 31 | L | A | -0.0892 | |
| 32 | F | A | 0.0000 | |
| 33 | R | A | -1.8175 | |
| 34 | V | A | 0.0000 | |
| 35 | N | A | -1.0290 | |
| 36 | P | A | -0.6237 | |
| 37 | I | A | -0.5605 | |
| 38 | N | A | -1.2487 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | -2.1354 | |
| 41 | D | A | -2.7471 | |
| 42 | Y | A | -2.1586 | |
| 43 | T | A | -2.8798 | |
| 44 | E | A | -3.4584 | |
| 45 | D | A | -3.5474 | |
| 46 | K | A | -3.4856 | |
| 47 | H | A | -3.0953 | |
| 48 | K | A | -3.5580 | |
| 49 | T | A | -2.5024 | |
| 50 | V | A | 0.0000 | |
| 51 | D | A | -1.2215 | |
| 52 | D | A | -1.1635 | |
| 53 | Y | A | -0.1609 | |
| 54 | Q | A | -0.5035 | |
| 55 | Y | A | 0.6017 | |
| 56 | G | A | -0.2751 | |
| 57 | G | A | -0.7295 | |
| 58 | G | A | -0.9469 | |
| 59 | H | A | -1.1171 | |
| 60 | G | A | -0.8553 | |
| 61 | L | A | -0.3684 | |
| 62 | V | A | 0.0000 | |
| 63 | M | A | 0.0000 | |
| 64 | K | A | -1.2909 | |
| 65 | P | A | -1.1547 | |
| 66 | E | A | -1.5237 | |
| 67 | P | A | 0.0000 | |
| 68 | I | A | 0.0000 | |
| 69 | Y | A | -0.6109 | |
| 70 | K | A | -1.9124 | |
| 71 | A | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | A | A | -1.5274 | |
| 74 | D | A | -2.2095 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | -3.1151 | |
| 77 | S | A | -2.4340 | |
| 78 | K | A | -3.0188 | |
| 79 | K | A | -2.7793 | |
| 80 | D | A | -2.8788 | |
| 81 | T | A | 0.0000 | |
| 82 | H | A | -1.1506 | |
| 83 | V | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | D | A | -1.0208 | |
| 88 | P | A | -1.0491 | |
| 89 | R | A | -2.5947 | |
| 90 | G | A | -1.7774 | |
| 91 | E | A | -1.8622 | |
| 92 | Q | A | -1.9180 | |
| 93 | F | A | -0.9819 | |
| 94 | T | A | -1.1816 | |
| 95 | Q | A | -1.5934 | |
| 96 | K | A | -2.5208 | |
| 97 | T | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | E | A | -2.8589 | |
| 100 | R | A | -2.1209 | |
| 101 | L | A | 0.0000 | |
| 102 | Y | A | -1.2367 | |
| 103 | N | A | -1.6161 | |
| 104 | Y | A | -0.9366 | |
| 105 | D | A | -1.1745 | |
| 106 | D | A | -1.3443 | |
| 107 | I | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | G | A | -0.3479 | |
| 113 | R | A | -0.0622 | |
| 114 | Y | A | 0.2895 | |
| 115 | E | A | -1.2523 | |
| 116 | G | A | -0.8812 | |
| 117 | I | A | -0.7256 | |
| 118 | D | A | 0.0000 | |
| 119 | D | A | -1.7274 | |
| 120 | R | A | -2.4338 | |
| 121 | V | A | 0.0000 | |
| 122 | R | A | -1.6012 | |
| 123 | E | A | -2.2349 | |
| 124 | L | A | -0.1027 | |
| 125 | M | A | -0.4305 | |
| 126 | A | A | -1.3536 | |
| 127 | D | A | -1.9938 | |
| 128 | E | A | -1.5348 | |
| 129 | M | A | -1.2486 | |
| 130 | I | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | 0.1129 | |
| 133 | G | A | -0.3917 | |
| 134 | D | A | -0.8631 | |
| 135 | F | A | 2.1340 | |
| 136 | V | A | 2.7547 | |
| 137 | I | A | 2.4977 | |
| 138 | T | A | 0.8431 | |
| 139 | G | A | 0.5332 | |
| 140 | G | A | 0.4983 | |
| 141 | E | A | 0.0000 | |
| 142 | L | A | 1.3117 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | T | A | -0.0104 | |
| 147 | I | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | D | A | -0.8963 | |
| 150 | A | A | -0.7364 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | R | A | -0.3100 | |
| 154 | L | A | -0.5084 | |
| 155 | I | A | 0.0000 | |
| 156 | P | A | -0.4211 | |
| 157 | G | A | -0.5368 | |
| 158 | V | A | 0.0000 | |
| 159 | L | A | -1.1488 | |
| 160 | G | A | -2.0134 | |
| 161 | D | A | -3.1046 | |
| 162 | E | A | -3.1366 | |
| 163 | N | A | -2.9413 | |
| 164 | S | A | -2.4195 | |
| 165 | P | A | -1.6308 | |
| 166 | N | A | -2.4231 | |
| 167 | E | A | -2.7897 | |
| 168 | E | A | -1.6796 | |
| 169 | S | A | -0.4774 | |
| 170 | F | A | 0.0894 | |
| 171 | T | A | -1.1656 | |
| 172 | T | A | -0.7461 | |
| 173 | G | A | -0.5145 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | -0.4155 | |
| 176 | E | A | -1.0307 | |
| 177 | Y | A | -0.8383 | |
| 178 | P | A | -0.6296 | |
| 179 | H | A | -0.7480 | |
| 180 | F | A | -0.1463 | |
| 181 | T | A | -0.8309 | |
| 182 | R | A | -1.8463 | |
| 183 | P | A | -1.5499 | |
| 184 | A | A | -1.5509 | |
| 185 | E | A | -2.2225 | |
| 186 | F | A | 0.1914 | |
| 187 | M | A | 0.5632 | |
| 188 | G | A | -1.0101 | |
| 189 | K | A | -2.1349 | |
| 190 | K | A | -2.6283 | |
| 191 | V | A | -1.3882 | |
| 192 | P | A | -0.9799 | |
| 193 | E | A | -1.1072 | |
| 194 | V | A | -0.8007 | |
| 195 | L | A | 0.2102 | |
| 196 | I | A | 1.4022 | |
| 197 | S | A | -0.1071 | |
| 198 | G | A | -1.2332 | |
| 199 | N | A | -2.3027 | |
| 200 | H | A | -2.8857 | |
| 201 | E | A | -3.4005 | |
| 202 | E | A | -3.2035 | |
| 203 | I | A | -2.1443 | |
| 204 | R | A | -2.7980 | |
| 205 | R | A | -2.9180 | |
| 206 | W | A | -1.5494 | |
| 207 | R | A | -1.7542 | |
| 208 | L | A | -1.3855 | |
| 209 | T | A | -1.3271 | |
| 210 | E | A | -1.4429 | |
| 211 | S | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | K | A | -2.2529 | |
| 214 | T | A | -1.7939 | |
| 215 | T | A | 0.0000 | |
| 216 | L | A | -1.3558 | |
| 217 | Q | A | -2.4088 | |
| 218 | N | A | -2.5570 | |
| 219 | R | A | -2.0202 | |
| 220 | P | A | -1.4491 | |
| 221 | D | A | -1.1685 | |
| 222 | M | A | 0.0000 | |
| 223 | I | A | -0.2423 | |
| 224 | L | A | 0.3249 | |
| 225 | R | A | -1.3922 | |
| 226 | K | A | -0.7517 | |
| 227 | S | A | -0.7351 | |
| 228 | L | A | -0.8879 | |
| 229 | S | A | -1.5635 | |
| 230 | R | A | -2.8188 | |
| 231 | E | A | -2.3462 | |
| 232 | E | A | -1.6551 | |
| 233 | E | A | -1.6940 | |
| 234 | Q | A | -1.6370 | |
| 235 | I | A | 0.0000 | |
| 236 | L | A | -0.8592 | |
| 237 | W | A | -0.6275 | |
| 238 | S | A | -0.7311 | |
| 239 | L | A | -0.5623 | |
| 240 | T | A | -0.4709 | |
| 241 | R | A | -1.2893 | |
| 242 | G | A | -0.9644 | |
| 243 | V | A | -0.0041 | |
| 244 | Q | A | -2.1029 | |
| 245 | R | A | -2.9937 | |
| 246 | K | A | -3.3118 | |
| 247 | Y | A | -2.2498 | |
| 248 | N | A | -1.7935 | |
| 249 | I | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | M | A | 0.0000 | |
| 255 | H | A | 0.0000 | |
| 256 | Y | A | 1.0003 | |
| 257 | P | A | 0.2218 | |
| 258 | M | A | 0.0000 | |
| 259 | R | A | -1.1723 | |
| 260 | D | A | -1.8312 | |
| 261 | K | A | -2.8525 | |
| 262 | E | A | -3.1453 | |
| 263 | G | A | -2.4189 | |
| 264 | K | A | -1.9888 | |
| 265 | V | A | 0.4895 | |
| 266 | V | A | 0.7270 | |
| 267 | T | A | 0.6504 | |
| 268 | T | A | 0.3014 | |
| 269 | S | A | -0.2476 | |
| 270 | I | A | -0.0019 | |
| 271 | T | A | -0.4863 | |
| 272 | N | A | -0.9746 | |
| 273 | M | A | -0.6324 | |
| 274 | D | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | H | A | -1.5502 | |
| 277 | D | A | -2.2652 | |
| 278 | I | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | R | A | -2.7819 | |
| 281 | S | A | 0.0000 | |
| 282 | C | A | 0.0000 | |
| 283 | R | A | -1.5394 | |
| 284 | T | A | -0.9437 | |
| 285 | F | A | -0.8664 | |
| 286 | G | A | -1.2807 | |
| 287 | V | A | 0.0000 | |
| 288 | K | A | -1.3499 | |
| 289 | N | A | -0.5713 | |
| 290 | Y | A | 0.0000 | |
| 291 | F | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | P | A | -0.2895 | |
| 296 | M | A | -0.2857 | |
| 297 | P | A | -0.6756 | |
| 298 | A | A | -0.4378 | |
| 299 | Q | A | -0.4124 | |
| 300 | R | A | -1.0817 | |
| 301 | E | A | -1.6881 | |
| 302 | I | A | -0.1095 | |
| 303 | A | A | 0.0000 | |
| 304 | S | A | -1.4306 | |
| 305 | R | A | -2.4273 | |
| 306 | V | A | -1.3363 | |
| 307 | V | A | -1.5363 | |
| 308 | R | A | -3.1313 | |
| 309 | H | A | -1.8955 | |
| 310 | W | A | -1.5038 | |
| 311 | I | A | -2.0012 | |
| 312 | K | A | -2.3357 | |
| 313 | G | A | -1.1222 | |
| 314 | Y | A | 0.7091 | |
| 315 | G | A | 0.0000 | |
| 316 | A | A | -0.5711 | |
| 317 | T | A | 0.2845 | |
| 318 | Y | A | 1.0600 | |
| 319 | N | A | -0.4345 | |
| 320 | E | A | -1.2468 | |
| 321 | N | A | -2.1256 | |
| 322 | R | A | -2.0287 | |
| 323 | K | A | -2.0028 | |
| 324 | E | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | E | A | -1.7146 | |
| 328 | Y | A | -0.8392 | |
| 329 | T | A | 0.0000 | |
| 330 | I | A | 0.5192 | |
| 331 | I | A | 0.2254 | |
| 332 | T | A | -0.4165 | |
| 333 | D | A | -0.8176 | |
| 334 | S | A | -0.2024 | |
| 335 | L | A | -0.1201 | |
| 336 | A | A | -0.4102 | |
| 337 | S | A | -0.7596 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | -1.0974 | |
| 340 | K | A | -2.4838 | |
| 341 | S | A | -1.9190 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -2.5503 | |
| 344 | E | A | -3.3147 | |
| 345 | K | A | -2.9405 | |
| 346 | E | A | -2.2035 | |
| 347 | S | A | -1.8518 | |
| 348 | G | A | -1.5365 | |
| 349 | S | A | -1.2803 | |
| 350 | P | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | T | A | -0.1983 | |
| 357 | A | A | -0.0481 | |
| 358 | R | A | -0.3467 | |
| 359 | Y | A | 0.0894 | |
| 360 | Q | A | -1.4800 | |
| 361 | Q | A | -1.9974 | |
| 362 | K | A | -2.2811 | |
| 363 | A | A | -1.3521 | |
| 364 | I | A | -1.3163 | |
| 365 | S | A | -1.3851 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | -2.9881 | |
| 368 | K | A | -2.5395 | |
| 369 | L | A | 0.0000 | |
| 370 | K | A | -2.9094 | |
| 371 | E | A | -3.1875 | |
| 372 | I | A | -2.1114 | |
| 373 | A | A | 0.0000 | |
| 374 | D | A | -3.0662 | |
| 375 | R | A | -2.6562 | |
| 376 | P | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | G | A | 0.1483 | |
| 383 | T | A | 0.0805 | |
| 384 | G | A | -0.1870 | |
| 385 | W | A | 0.0270 | |
| 386 | G | A | -0.2008 | |
| 387 | F | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | D | A | -3.0763 | |
| 390 | D | A | -2.8690 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | E | A | -2.4322 | |
| 394 | F | A | -0.4420 | |
| 395 | A | A | -0.7882 | |
| 396 | D | A | -1.5041 | |
| 397 | Y | A | -1.1037 | |
| 398 | V | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.5163 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | -0.4698 | |
| 403 | H | A | -0.5446 | |
| 404 | G | A | 0.0849 | |
| 405 | V | A | 1.1207 | |
| 406 | G | A | -0.1483 | |
| 407 | D | A | -1.0050 | |
| 408 | F | A | 0.8627 | |
| 409 | N | A | -0.0091 | |
| 410 | H | A | -0.4360 | |
| 411 | L | A | 0.4405 | |
| 412 | S | A | -0.0049 | |
| 413 | V | A | -0.1316 | |
| 414 | R | A | -0.5387 | |
| 415 | S | A | -0.1769 | |
| 416 | A | A | 0.0452 | |
| 417 | V | A | 0.0000 | |
| 418 | A | A | -0.8103 | |
| 419 | I | A | -0.4139 | |
| 420 | Y | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | D | A | -2.7682 | |
| 423 | R | A | -3.0583 | |
| 424 | I | A | 0.0000 | |
| 425 | N | A | -2.9327 | |
| 426 | R | A | -3.8703 | |
| 427 | S | A | 0.0000 | |
| 428 | F | A | -2.6913 | |
| 429 | Q | A | -2.7393 | |
| 430 | E | A | -2.8854 |
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