| Chain sequence(s) |
A: MAPAAAAAESINPRDVCIVGVARTPMGGFLGTLSSLSATKLGSIAIEAALKRAKVDPALVQEVIFGNVLSANLGQAPARQAALGAGIPNSVICTTVNKVCASGMKATMLAAQSIQLGLNDVVVSGGMESMSNVPKYLAEARKGSRLGHDSLVDGMLKDGLWDVYSNSGMGTCAELCAEKYQITREAQDDYAVQSFERGIAAKDSNAFEWEIVPVEVSGGRGKPSTIVNSDEGLGKFDPAKLRKLRPSFKDNGGTVTAGNASSISDGAAAIVLVSGKKALELGLEVIGKIKGYADAAHEPEFFTTAPALAVPKAISHAGLEASQIDFYEINEAFAVVALANQKLLGISPDKVNVHGGAVSLGHPLGCSGARILVTLLGVLKQKGGKYGVGGVCNGGGGASALVLELV
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:06)
[INFO] Main: Simulation completed successfully. (00:04:08)
|
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 | 1.0371 | |
| 2 | A | A | 0.4865 | |
| 3 | P | A | 0.0976 | |
| 4 | A | A | -0.1621 | |
| 5 | A | A | -0.1892 | |
| 6 | A | A | -0.4350 | |
| 7 | A | A | -0.4889 | |
| 8 | A | A | -0.9363 | |
| 9 | E | A | -1.9847 | |
| 10 | S | A | -1.1466 | |
| 11 | I | A | -1.4124 | |
| 12 | N | A | -2.5277 | |
| 13 | P | A | -2.6069 | |
| 14 | R | A | -2.9372 | |
| 15 | D | A | -2.1833 | |
| 16 | V | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | I | A | 0.0000 | |
| 19 | V | A | 0.0000 | |
| 20 | G | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | R | A | 0.0000 | |
| 24 | T | A | 0.0000 | |
| 25 | P | A | 0.0000 | |
| 26 | M | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | G | A | 0.8161 | |
| 29 | F | A | 1.7924 | |
| 30 | L | A | 1.8915 | |
| 31 | G | A | 0.9133 | |
| 32 | T | A | 0.5212 | |
| 33 | L | A | 0.0000 | |
| 34 | S | A | 0.4340 | |
| 35 | S | A | -0.2860 | |
| 36 | L | A | -0.6638 | |
| 37 | S | A | -0.7333 | |
| 38 | A | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | K | A | -1.3284 | |
| 41 | L | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | S | A | 0.0000 | |
| 44 | I | A | -0.6586 | |
| 45 | A | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | E | A | -1.5821 | |
| 48 | A | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -3.2292 | |
| 52 | R | A | -2.3735 | |
| 53 | A | A | 0.0000 | |
| 54 | K | A | -3.1489 | |
| 55 | V | A | 0.0000 | |
| 56 | D | A | -2.4087 | |
| 57 | P | A | -1.4663 | |
| 58 | A | A | -0.6791 | |
| 59 | L | A | -0.3084 | |
| 60 | V | A | 0.0000 | |
| 61 | Q | A | 0.0609 | |
| 62 | E | A | 0.4120 | |
| 63 | V | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | N | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | S | A | -0.8762 | |
| 71 | A | A | -1.1314 | |
| 72 | N | A | -1.7698 | |
| 73 | L | A | -1.0562 | |
| 74 | G | A | -1.4240 | |
| 75 | Q | A | -1.6614 | |
| 76 | A | A | -0.8227 | |
| 77 | P | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | R | A | -0.4526 | |
| 80 | Q | A | -0.9393 | |
| 81 | A | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | L | A | -0.6183 | |
| 84 | G | A | -0.9079 | |
| 85 | A | A | 0.0000 | |
| 86 | G | A | -1.0321 | |
| 87 | I | A | 0.0000 | |
| 88 | P | A | -0.5743 | |
| 89 | N | A | -1.0594 | |
| 90 | S | A | -0.4076 | |
| 91 | V | A | 0.0000 | |
| 92 | I | A | 1.5309 | |
| 93 | C | A | 0.6923 | |
| 94 | T | A | 0.2669 | |
| 95 | T | A | -0.2659 | |
| 96 | V | A | -0.4798 | |
| 97 | N | A | -1.3113 | |
| 98 | K | A | -0.8613 | |
| 99 | V | A | -0.4230 | |
| 100 | C | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | S | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | M | A | 0.0000 | |
| 105 | K | A | -0.4773 | |
| 106 | A | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | M | A | 0.0000 | |
| 109 | L | A | 0.1792 | |
| 110 | A | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | Q | A | -0.1338 | |
| 113 | S | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | Q | A | -0.4820 | |
| 116 | L | A | 1.0490 | |
| 117 | G | A | 0.2834 | |
| 118 | L | A | 1.4120 | |
| 119 | N | A | 0.0000 | |
| 120 | D | A | -0.9867 | |
| 121 | V | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | G | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | M | A | 0.0000 | |
| 128 | E | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | S | A | 0.5949 | |
| 132 | N | A | -0.6757 | |
| 133 | V | A | -0.8185 | |
| 134 | P | A | -0.9391 | |
| 135 | K | A | -1.2883 | |
| 136 | Y | A | -0.0568 | |
| 137 | L | A | 0.0795 | |
| 138 | A | A | -0.9901 | |
| 139 | E | A | -2.8486 | |
| 140 | A | A | -2.2653 | |
| 141 | R | A | -3.1688 | |
| 142 | K | A | -3.5303 | |
| 143 | G | A | -2.6203 | |
| 144 | S | A | -2.3973 | |
| 145 | R | A | -1.8687 | |
| 146 | L | A | -0.0815 | |
| 147 | G | A | -1.0484 | |
| 148 | H | A | -2.0585 | |
| 149 | D | A | -2.2613 | |
| 150 | S | A | -0.6524 | |
| 151 | L | A | 0.8705 | |
| 152 | V | A | 0.2961 | |
| 153 | D | A | -0.6284 | |
| 154 | G | A | 0.0000 | |
| 155 | M | A | -0.4918 | |
| 156 | L | A | -0.2172 | |
| 157 | K | A | -1.3684 | |
| 158 | D | A | -1.0633 | |
| 159 | G | A | 0.0000 | |
| 160 | L | A | 0.4153 | |
| 161 | W | A | 0.4415 | |
| 162 | D | A | 0.0000 | |
| 163 | V | A | 1.5936 | |
| 164 | Y | A | 1.4967 | |
| 165 | S | A | 0.2858 | |
| 166 | N | A | -0.2857 | |
| 167 | S | A | 0.1196 | |
| 168 | G | A | 0.1617 | |
| 169 | M | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | T | A | -0.0792 | |
| 172 | C | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | L | A | -0.6596 | |
| 176 | C | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | E | A | -2.7470 | |
| 179 | K | A | -2.5615 | |
| 180 | Y | A | -1.7024 | |
| 181 | Q | A | -2.1371 | |
| 182 | I | A | -1.3344 | |
| 183 | T | A | -1.2661 | |
| 184 | R | A | -1.7621 | |
| 185 | E | A | -2.6291 | |
| 186 | A | A | -1.5577 | |
| 187 | Q | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | D | A | -2.5428 | |
| 190 | Y | A | -1.3045 | |
| 191 | A | A | 0.0000 | |
| 192 | V | A | -1.3068 | |
| 193 | Q | A | -1.4292 | |
| 194 | S | A | 0.0000 | |
| 195 | F | A | -1.0109 | |
| 196 | E | A | -1.5103 | |
| 197 | R | A | -1.1303 | |
| 198 | G | A | 0.0000 | |
| 199 | I | A | -1.1139 | |
| 200 | A | A | -1.3162 | |
| 201 | A | A | 0.0000 | |
| 202 | K | A | -2.6398 | |
| 203 | D | A | -2.6332 | |
| 204 | S | A | -2.1298 | |
| 205 | N | A | -2.7922 | |
| 206 | A | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | E | A | -2.4949 | |
| 209 | W | A | -0.9423 | |
| 210 | E | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | V | A | -0.6856 | |
| 213 | P | A | -0.7551 | |
| 214 | V | A | 0.0000 | |
| 215 | E | A | -1.3167 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | -1.3953 | |
| 218 | G | A | -2.0973 | |
| 219 | G | A | -2.0908 | |
| 220 | R | A | -2.8548 | |
| 221 | G | A | -2.3977 | |
| 222 | K | A | -2.8803 | |
| 223 | P | A | -1.5142 | |
| 224 | S | A | -1.1913 | |
| 225 | T | A | -0.2584 | |
| 226 | I | A | 0.7663 | |
| 227 | V | A | 0.0000 | |
| 228 | N | A | -1.3339 | |
| 229 | S | A | -0.9738 | |
| 230 | D | A | 0.0000 | |
| 231 | E | A | -0.8354 | |
| 232 | G | A | -0.8241 | |
| 233 | L | A | 0.0000 | |
| 234 | G | A | -1.2781 | |
| 235 | K | A | -1.9899 | |
| 236 | F | A | -1.3123 | |
| 237 | D | A | -1.6430 | |
| 238 | P | A | -1.9472 | |
| 239 | A | A | -1.6656 | |
| 240 | K | A | -2.6864 | |
| 241 | L | A | 0.0000 | |
| 242 | R | A | -3.3142 | |
| 243 | K | A | -3.0155 | |
| 244 | L | A | -1.8909 | |
| 245 | R | A | -2.6020 | |
| 246 | P | A | -1.8658 | |
| 247 | S | A | -0.9445 | |
| 248 | F | A | -0.6608 | |
| 249 | K | A | -2.3664 | |
| 250 | D | A | -3.1549 | |
| 251 | N | A | -2.8438 | |
| 252 | G | A | -1.7056 | |
| 253 | G | A | -1.8521 | |
| 254 | T | A | -1.1690 | |
| 255 | V | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | A | A | -0.0717 | |
| 258 | G | A | -0.8532 | |
| 259 | N | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | S | A | 0.0010 | |
| 262 | S | A | 0.2672 | |
| 263 | I | A | 0.9954 | |
| 264 | S | A | 0.0000 | |
| 265 | D | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | S | A | 0.0000 | |
| 275 | G | A | 0.0000 | |
| 276 | K | A | -2.9651 | |
| 277 | K | A | -1.9657 | |
| 278 | A | A | 0.0000 | |
| 279 | L | A | -1.0228 | |
| 280 | E | A | -1.8112 | |
| 281 | L | A | -0.8159 | |
| 282 | G | A | -1.0874 | |
| 283 | L | A | -1.1067 | |
| 284 | E | A | -1.6640 | |
| 285 | V | A | -0.1718 | |
| 286 | I | A | 0.0277 | |
| 287 | G | A | 0.0000 | |
| 288 | K | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | K | A | -1.0320 | |
| 291 | G | A | 0.0000 | |
| 292 | Y | A | -0.7589 | |
| 293 | A | A | 0.0000 | |
| 294 | D | A | -0.6640 | |
| 295 | A | A | -0.4103 | |
| 296 | A | A | -0.5870 | |
| 297 | H | A | -1.3901 | |
| 298 | E | A | -1.4971 | |
| 299 | P | A | -0.6459 | |
| 300 | E | A | -0.6461 | |
| 301 | F | A | -0.6681 | |
| 302 | F | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | A | A | 0.2795 | |
| 308 | L | A | 0.4575 | |
| 309 | A | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | P | A | -1.0615 | |
| 312 | K | A | -1.9178 | |
| 313 | A | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | S | A | -1.8033 | |
| 316 | H | A | -1.9628 | |
| 317 | A | A | -1.4929 | |
| 318 | G | A | -1.4406 | |
| 319 | L | A | -1.5009 | |
| 320 | E | A | -2.3185 | |
| 321 | A | A | -1.2656 | |
| 322 | S | A | -1.2311 | |
| 323 | Q | A | -1.6500 | |
| 324 | I | A | 0.0000 | |
| 325 | D | A | -1.4239 | |
| 326 | F | A | -0.9087 | |
| 327 | Y | A | 0.0000 | |
| 328 | E | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | E | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | L | A | 0.0181 | |
| 339 | A | A | 0.0000 | |
| 340 | N | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | K | A | -1.2622 | |
| 343 | L | A | 0.2381 | |
| 344 | L | A | 0.1131 | |
| 345 | G | A | -0.6093 | |
| 346 | I | A | -0.6703 | |
| 347 | S | A | -1.2255 | |
| 348 | P | A | -1.5036 | |
| 349 | D | A | -2.2147 | |
| 350 | K | A | -1.5873 | |
| 351 | V | A | 0.0000 | |
| 352 | N | A | 0.0000 | |
| 353 | V | A | -0.8337 | |
| 354 | H | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | A | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | H | A | 0.0000 | |
| 363 | P | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | C | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | R | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | T | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | K | A | -2.3157 | |
| 381 | Q | A | -2.3228 | |
| 382 | K | A | -2.7896 | |
| 383 | G | A | -2.1557 | |
| 384 | G | A | 0.0000 | |
| 385 | K | A | -1.3274 | |
| 386 | Y | A | -0.5778 | |
| 387 | G | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | C | A | 0.0000 | |
| 393 | N | A | 0.0000 | |
| 394 | G | A | -0.0094 | |
| 395 | G | A | -0.2144 | |
| 396 | G | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | E | A | -0.2473 | |
| 405 | L | A | -0.0437 | |
| 406 | V | A | 0.5968 |
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