| Chain sequence(s) |
A: MAAARLWVVAVAVAVAVAVMAAAVEGKSYNITKILAAHPEFSKFNEMLSKTRLAYDINRRQTITVLAVDNSAMASLDHFTLPTIRHILSLHILVDYYGSKKLHALSHGATASSSMFQATGSAPGTTGYVNITSHKGGKIDFISEDADESAKPSRYVKSVKEIPYDISVLQVSSVLSSSEAEAPVPPPAPVNLTELLSKKYCKSFAGLLAANADVFRAVNETKDNGLTLFCPVDAAVAAFMPSYKNLTAKAKTAILLYHAVPDYFSLQLLKSNNGMVTTLATASESKKDYSYDVQNKGETVTLDTRVVNSAVTATVGDAEPLAVYAVTKFLKPKELYKVVEAPAPAPEPSKKHKSAADDSSDDSSDDSGDVKAHKGAAAPAPLARWVTAAAAAAVAALMLMA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | DN145A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.572506 kcal/mol |
| 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] FoldX: Building mutant model (00:05:21)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:31)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:11)
[INFO] Main: Simulation completed successfully. (00:08:15)
|
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 | 0.8728 | |
| 2 | A | A | 0.5176 | |
| 3 | A | A | 0.8257 | |
| 4 | A | A | 0.9703 | |
| 5 | R | A | 0.4867 | |
| 6 | L | A | 2.4355 | |
| 7 | W | A | 2.8583 | |
| 8 | V | A | 2.9246 | |
| 9 | V | A | 3.5030 | |
| 10 | A | A | 3.0039 | |
| 11 | V | A | 3.2894 | |
| 12 | A | A | 3.3791 | |
| 13 | V | A | 4.0203 | |
| 14 | A | A | 3.3757 | |
| 15 | V | A | 3.9690 | |
| 16 | A | A | 3.3935 | |
| 17 | V | A | 3.8301 | |
| 18 | A | A | 3.0359 | |
| 19 | V | A | 3.5806 | |
| 20 | M | A | 3.0447 | |
| 21 | A | A | 2.1906 | |
| 22 | A | A | 1.5036 | |
| 23 | A | A | 0.7399 | |
| 24 | V | A | 0.5918 | |
| 25 | E | A | -1.6953 | |
| 26 | G | A | -1.8163 | |
| 27 | K | A | -2.4073 | |
| 28 | S | A | -2.1132 | |
| 29 | Y | A | -1.4659 | |
| 30 | N | A | -1.4041 | |
| 31 | I | A | 0.0000 | |
| 32 | T | A | -1.1682 | |
| 33 | K | A | -1.7307 | |
| 34 | I | A | -0.8439 | |
| 35 | L | A | 0.0000 | |
| 36 | A | A | -0.9094 | |
| 37 | A | A | -0.4442 | |
| 38 | H | A | -0.6364 | |
| 39 | P | A | -0.8018 | |
| 40 | E | A | -1.0689 | |
| 41 | F | A | 0.0000 | |
| 42 | S | A | -1.3018 | |
| 43 | K | A | -1.5627 | |
| 44 | F | A | 0.0000 | |
| 45 | N | A | -1.5981 | |
| 46 | E | A | -2.0919 | |
| 47 | M | A | -1.2648 | |
| 48 | L | A | 0.0000 | |
| 49 | S | A | -1.2461 | |
| 50 | K | A | -1.6394 | |
| 51 | T | A | 0.0000 | |
| 52 | R | A | -1.1268 | |
| 53 | L | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | Y | A | -0.8007 | |
| 56 | D | A | -1.4225 | |
| 57 | I | A | 0.0000 | |
| 58 | N | A | -1.7532 | |
| 59 | R | A | -2.9588 | |
| 60 | R | A | -2.5535 | |
| 61 | Q | A | -2.2061 | |
| 62 | T | A | -0.9003 | |
| 63 | I | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | D | A | -0.9611 | |
| 70 | N | A | -1.1563 | |
| 71 | S | A | -0.6932 | |
| 72 | A | A | -0.4145 | |
| 73 | M | A | 0.0000 | |
| 74 | A | A | -1.0763 | |
| 75 | S | A | -0.9192 | |
| 76 | L | A | 0.0000 | |
| 77 | D | A | -2.1575 | |
| 78 | H | A | -1.6532 | |
| 79 | F | A | -0.6955 | |
| 80 | T | A | -0.3515 | |
| 81 | L | A | -0.2504 | |
| 82 | P | A | -0.5486 | |
| 83 | T | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | R | A | -0.7267 | |
| 86 | H | A | -0.6477 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | H | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | V | A | -0.4316 | |
| 95 | D | A | -0.6810 | |
| 96 | Y | A | -0.1649 | |
| 97 | Y | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | S | A | -1.6515 | |
| 100 | K | A | -2.4463 | |
| 101 | K | A | -1.9828 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | -2.4194 | |
| 104 | A | A | -1.3395 | |
| 105 | L | A | -0.9315 | |
| 106 | S | A | -0.8410 | |
| 107 | H | A | -1.0830 | |
| 108 | G | A | -1.0983 | |
| 109 | A | A | -0.5656 | |
| 110 | T | A | -0.2585 | |
| 111 | A | A | -0.1658 | |
| 112 | S | A | 0.0000 | |
| 113 | S | A | -0.1668 | |
| 114 | S | A | 0.0000 | |
| 115 | M | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | Q | A | -0.3786 | |
| 118 | A | A | -0.1642 | |
| 119 | T | A | -0.4021 | |
| 120 | G | A | -0.7115 | |
| 121 | S | A | -0.6616 | |
| 122 | A | A | 0.0000 | |
| 123 | P | A | -0.7448 | |
| 124 | G | A | -0.8157 | |
| 125 | T | A | -0.6364 | |
| 126 | T | A | -0.9635 | |
| 127 | G | A | 0.0000 | |
| 128 | Y | A | -0.2271 | |
| 129 | V | A | 0.0000 | |
| 130 | N | A | -0.5276 | |
| 131 | I | A | 0.0000 | |
| 132 | T | A | -1.0225 | |
| 133 | S | A | -1.6728 | |
| 134 | H | A | -2.3445 | |
| 135 | K | A | -2.7791 | |
| 136 | G | A | -2.1515 | |
| 137 | G | A | -2.1633 | |
| 138 | K | A | -2.4718 | |
| 139 | I | A | 0.0000 | |
| 140 | D | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | I | A | -0.7477 | |
| 143 | S | A | 0.0000 | |
| 144 | E | A | -1.7123 | |
| 145 | N | A | -1.9553 | mutated: DN145A |
| 146 | A | A | -2.2778 | |
| 147 | D | A | -3.2501 | |
| 148 | E | A | -3.0791 | |
| 149 | S | A | -2.1037 | |
| 150 | A | A | -2.1197 | |
| 151 | K | A | -2.3567 | |
| 152 | P | A | -1.0917 | |
| 153 | S | A | 0.0000 | |
| 154 | R | A | -1.0802 | |
| 155 | Y | A | -0.0987 | |
| 156 | V | A | 0.9791 | |
| 157 | K | A | -0.1119 | |
| 158 | S | A | -0.6465 | |
| 159 | V | A | 0.0000 | |
| 160 | K | A | -1.0996 | |
| 161 | E | A | -0.7494 | |
| 162 | I | A | -0.0014 | |
| 163 | P | A | 0.3060 | |
| 164 | Y | A | 0.8567 | |
| 165 | D | A | -0.5362 | |
| 166 | I | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | Q | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | S | A | -0.0853 | |
| 173 | S | A | -0.3478 | |
| 174 | V | A | -0.1831 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | -0.8391 | |
| 177 | S | A | 0.0000 | |
| 178 | S | A | -1.1863 | |
| 179 | E | A | -1.1738 | |
| 180 | A | A | 0.0000 | |
| 181 | E | A | -0.8812 | |
| 182 | A | A | -0.5858 | |
| 183 | P | A | -0.3835 | |
| 184 | V | A | -0.1041 | |
| 185 | P | A | -0.2882 | |
| 186 | P | A | -0.5821 | |
| 187 | P | A | -0.9568 | |
| 188 | A | A | -0.6207 | |
| 189 | P | A | -0.6134 | |
| 190 | V | A | -0.8241 | |
| 191 | N | A | -1.6789 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | -1.7137 | |
| 194 | E | A | -2.8899 | |
| 195 | L | A | -1.7926 | |
| 196 | L | A | 0.0000 | |
| 197 | S | A | -2.3861 | |
| 198 | K | A | -2.7979 | |
| 199 | K | A | -2.0227 | |
| 200 | Y | A | -0.5557 | |
| 201 | C | A | 0.0000 | |
| 202 | K | A | -2.5441 | |
| 203 | S | A | -1.0518 | |
| 204 | F | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | G | A | -0.7444 | |
| 207 | L | A | -0.2328 | |
| 208 | L | A | 0.0000 | |
| 209 | A | A | -0.3931 | |
| 210 | A | A | -0.1923 | |
| 211 | N | A | -0.8749 | |
| 212 | A | A | -1.2254 | |
| 213 | D | A | -2.3860 | |
| 214 | V | A | 0.0000 | |
| 215 | F | A | -1.4466 | |
| 216 | R | A | -2.9591 | |
| 217 | A | A | -1.9489 | |
| 218 | V | A | 0.0000 | |
| 219 | N | A | -2.5338 | |
| 220 | E | A | -3.0306 | |
| 221 | T | A | -1.9451 | |
| 222 | K | A | 0.0000 | |
| 223 | D | A | -2.7348 | |
| 224 | N | A | -2.2084 | |
| 225 | G | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | F | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | V | A | -0.4663 | |
| 233 | D | A | -1.1195 | |
| 234 | A | A | -0.2910 | |
| 235 | A | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | A | A | -0.0720 | |
| 238 | A | A | -0.1830 | |
| 239 | F | A | 0.0000 | |
| 240 | M | A | -0.5432 | |
| 241 | P | A | -0.9553 | |
| 242 | S | A | -1.0027 | |
| 243 | Y | A | 0.0000 | |
| 244 | K | A | -2.3495 | |
| 245 | N | A | -2.0892 | |
| 246 | L | A | -1.2456 | |
| 247 | T | A | -1.0071 | |
| 248 | A | A | -1.0526 | |
| 249 | K | A | -1.5759 | |
| 250 | A | A | 0.0000 | |
| 251 | K | A | -1.0696 | |
| 252 | T | A | -1.0108 | |
| 253 | A | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | H | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | P | A | -0.0700 | |
| 262 | D | A | 0.0000 | |
| 263 | Y | A | -0.4590 | |
| 264 | F | A | 0.0000 | |
| 265 | S | A | -0.6312 | |
| 266 | L | A | -0.4306 | |
| 267 | Q | A | -1.3291 | |
| 268 | L | A | -0.7168 | |
| 269 | L | A | 0.0000 | |
| 270 | K | A | -2.5874 | |
| 271 | S | A | -1.7674 | |
| 272 | N | A | -2.5461 | |
| 273 | N | A | -2.3806 | |
| 274 | G | A | -1.1873 | |
| 275 | M | A | -0.2113 | |
| 276 | V | A | 0.0000 | |
| 277 | T | A | -0.1492 | |
| 278 | T | A | 0.0000 | |
| 279 | L | A | 0.1091 | |
| 280 | A | A | 0.0000 | |
| 281 | T | A | -0.9921 | |
| 282 | A | A | -0.6119 | |
| 283 | S | A | -0.9671 | |
| 284 | E | A | -1.7484 | |
| 285 | S | A | -1.6877 | |
| 286 | K | A | -2.4764 | |
| 287 | K | A | -2.2902 | |
| 288 | D | A | -2.1715 | |
| 289 | Y | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | D | A | -1.0983 | |
| 293 | V | A | 0.0000 | |
| 294 | Q | A | -2.2117 | |
| 295 | N | A | -2.6746 | |
| 296 | K | A | -2.7771 | |
| 297 | G | A | -2.4201 | |
| 298 | E | A | -2.7551 | |
| 299 | T | A | -1.8602 | |
| 300 | V | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | D | A | -1.3025 | |
| 304 | T | A | 0.0000 | |
| 305 | R | A | -2.0864 | |
| 306 | V | A | -0.7353 | |
| 307 | V | A | -0.5810 | |
| 308 | N | A | -1.2562 | |
| 309 | S | A | 0.0000 | |
| 310 | A | A | -0.6147 | |
| 311 | V | A | 0.0843 | |
| 312 | T | A | 0.1321 | |
| 313 | A | A | 0.0761 | |
| 314 | T | A | -0.2217 | |
| 315 | V | A | 0.0000 | |
| 316 | G | A | -0.7606 | |
| 317 | D | A | -1.2875 | |
| 318 | A | A | -1.2262 | |
| 319 | E | A | -2.2921 | |
| 320 | P | A | -1.7710 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | T | A | -0.6347 | |
| 328 | K | A | -1.2390 | |
| 329 | F | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -0.9637 | |
| 332 | P | A | 0.0000 | |
| 333 | K | A | -1.2607 | |
| 334 | E | A | -1.0406 | |
| 335 | L | A | -0.2375 | |
| 336 | Y | A | -0.5312 | |
| 337 | K | A | -1.3742 | |
| 338 | V | A | -0.3350 | |
| 339 | V | A | 0.4988 | |
| 340 | E | A | -1.2442 | |
| 341 | A | A | -0.5682 | |
| 342 | P | A | -0.4951 | |
| 343 | A | A | -0.4877 | |
| 344 | P | A | -0.6256 | |
| 345 | A | A | -0.7412 | |
| 346 | P | A | -1.2716 | |
| 347 | E | A | -2.4060 | |
| 348 | P | A | -1.9989 | |
| 349 | S | A | -2.3277 | |
| 350 | K | A | -3.4612 | |
| 351 | K | A | -3.5952 | |
| 352 | H | A | -3.1947 | |
| 353 | K | A | -2.9561 | |
| 354 | S | A | -1.4698 | |
| 355 | A | A | -1.1338 | |
| 356 | A | A | -1.4099 | |
| 357 | D | A | -2.8129 | |
| 358 | D | A | -2.9331 | |
| 359 | S | A | -1.9670 | |
| 360 | S | A | -2.0093 | |
| 361 | D | A | -2.8462 | |
| 362 | D | A | -2.8302 | |
| 363 | S | A | -1.9399 | |
| 364 | S | A | -2.0742 | |
| 365 | D | A | -2.8553 | |
| 366 | D | A | -2.8833 | |
| 367 | S | A | -2.0465 | |
| 368 | G | A | -1.3904 | |
| 369 | D | A | -1.5769 | |
| 370 | V | A | 0.0109 | |
| 371 | K | A | -1.4198 | |
| 372 | A | A | -1.3273 | |
| 373 | H | A | -2.2719 | |
| 374 | K | A | -2.3923 | |
| 375 | G | A | -1.4657 | |
| 376 | A | A | -0.6558 | |
| 377 | A | A | -0.2083 | |
| 378 | A | A | -0.0883 | |
| 379 | P | A | -0.0838 | |
| 380 | A | A | 0.1872 | |
| 381 | P | A | 0.2839 | |
| 382 | L | A | 1.1547 | |
| 383 | A | A | 0.3164 | |
| 384 | R | A | -0.3717 | |
| 385 | W | A | 1.1677 | |
| 386 | V | A | 1.8620 | |
| 387 | T | A | 0.8800 | |
| 388 | A | A | 0.5939 | |
| 389 | A | A | 0.3226 | |
| 390 | A | A | 0.1440 | |
| 391 | A | A | 0.4180 | |
| 392 | A | A | 0.5799 | |
| 393 | A | A | 0.9756 | |
| 394 | V | A | 2.2476 | |
| 395 | A | A | 1.5206 | |
| 396 | A | A | 1.8411 | |
| 397 | L | A | 3.0146 | |
| 398 | M | A | 3.0206 | |
| 399 | L | A | 3.0041 | |
| 400 | M | A | 2.3659 | |
| 401 | A | A | 1.1430 |
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