| Chain sequence(s) |
A: MRECISVHVGQAGVQMGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFTTFFCETGAGKHVPRAVFVDLEPTVIDEIRNGPYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDPVLDRIRKLSDQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIAAIKTKRSIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVH
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 (00:04:53)
[INFO] Main: Simulation completed successfully. (00:04:55)
|
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 | 0.2865 | |
| 2 | R | A | -0.6171 | |
| 3 | E | A | 0.0000 | |
| 4 | C | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | S | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | H | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Q | A | -1.3438 | |
| 12 | A | A | -0.6054 | |
| 13 | G | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | -0.7213 | |
| 16 | M | A | 0.0000 | |
| 17 | G | A | 0.0000 | |
| 18 | N | A | -0.6075 | |
| 19 | A | A | -0.4231 | |
| 20 | C | A | 0.0000 | |
| 21 | W | A | 0.0000 | |
| 22 | E | A | -0.5421 | |
| 23 | L | A | 0.0000 | |
| 24 | Y | A | 0.0000 | |
| 25 | C | A | 0.0000 | |
| 26 | L | A | 0.1519 | |
| 27 | E | A | 0.0114 | |
| 28 | H | A | 0.0000 | |
| 29 | G | A | 0.0284 | |
| 30 | I | A | 0.0000 | |
| 31 | Q | A | -1.8555 | |
| 32 | P | A | -1.6407 | |
| 33 | D | A | -1.9250 | |
| 34 | G | A | 0.0000 | |
| 35 | Q | A | -2.1666 | |
| 36 | M | A | -1.2222 | |
| 37 | P | A | -1.2406 | |
| 38 | S | A | -1.4987 | |
| 39 | D | A | -2.3541 | |
| 40 | K | A | -2.3302 | |
| 41 | T | A | -0.8258 | |
| 42 | I | A | 0.7088 | |
| 43 | G | A | -1.0572 | |
| 44 | G | A | -1.7504 | |
| 45 | G | A | -2.1889 | |
| 46 | D | A | -3.2022 | |
| 47 | D | A | -2.6455 | |
| 48 | S | A | -1.7145 | |
| 49 | F | A | -0.9056 | |
| 50 | T | A | -0.9374 | |
| 51 | T | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | C | A | -1.0922 | |
| 55 | E | A | -2.2232 | |
| 56 | T | A | -1.3537 | |
| 57 | G | A | -1.0500 | |
| 58 | A | A | -0.9207 | |
| 59 | G | A | -1.3917 | |
| 60 | K | A | -1.8037 | |
| 61 | H | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | D | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | E | A | -2.2940 | |
| 72 | P | A | -1.7061 | |
| 73 | T | A | -1.1720 | |
| 74 | V | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | D | A | -2.2798 | |
| 77 | E | A | -2.5749 | |
| 78 | I | A | 0.0000 | |
| 79 | R | A | -2.7194 | |
| 80 | N | A | -2.8224 | |
| 81 | G | A | -2.1848 | |
| 82 | P | A | -1.6854 | |
| 83 | Y | A | 0.0000 | |
| 84 | R | A | -3.2164 | |
| 85 | Q | A | -2.5185 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | H | A | -1.4711 | |
| 89 | P | A | -1.7190 | |
| 90 | E | A | -2.0725 | |
| 91 | Q | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | I | A | -0.4389 | |
| 94 | T | A | -1.1585 | |
| 95 | G | A | -1.9188 | |
| 96 | K | A | -2.8311 | |
| 97 | E | A | -2.9738 | |
| 98 | D | A | -2.5114 | |
| 99 | A | A | 0.0000 | |
| 100 | A | A | -1.0598 | |
| 101 | N | A | -0.7244 | |
| 102 | N | A | -0.8456 | |
| 103 | Y | A | 0.0000 | |
| 104 | A | A | 0.1049 | |
| 105 | R | A | -0.7106 | |
| 106 | G | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | Y | A | 0.6594 | |
| 109 | T | A | -0.2741 | |
| 110 | I | A | -1.3458 | |
| 111 | G | A | 0.0000 | |
| 112 | K | A | -2.1671 | |
| 113 | E | A | -2.6211 | |
| 114 | I | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | D | A | -2.9248 | |
| 117 | P | A | -2.1098 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | D | A | -2.7574 | |
| 121 | R | A | -2.5486 | |
| 122 | I | A | 0.0000 | |
| 123 | R | A | -3.2999 | |
| 124 | K | A | -3.4693 | |
| 125 | L | A | 0.0000 | |
| 126 | S | A | -2.4014 | |
| 127 | D | A | -3.2678 | |
| 128 | Q | A | -2.5754 | |
| 129 | C | A | -1.4372 | |
| 130 | T | A | -0.5948 | |
| 131 | G | A | -0.5496 | |
| 132 | L | A | 0.0000 | |
| 133 | Q | A | -0.7724 | |
| 134 | G | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | H | A | 0.0000 | |
| 140 | S | A | -0.2300 | |
| 141 | F | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | G | A | -0.5703 | |
| 144 | G | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | E | A | -1.1038 | |
| 156 | R | A | -0.9792 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | -0.7634 | |
| 159 | V | A | 0.5252 | |
| 160 | D | A | -0.9162 | |
| 161 | Y | A | -1.0325 | |
| 162 | G | A | -1.2772 | |
| 163 | K | A | -2.0374 | |
| 164 | K | A | -1.5555 | |
| 165 | S | A | 0.0000 | |
| 166 | K | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | P | A | -0.2750 | |
| 174 | A | A | 0.0000 | |
| 175 | P | A | -0.7833 | |
| 176 | Q | A | -0.9251 | |
| 177 | V | A | 0.0983 | |
| 178 | S | A | 0.1685 | |
| 179 | T | A | 0.2108 | |
| 180 | A | A | 0.7297 | |
| 181 | V | A | 1.9674 | |
| 182 | V | A | 1.3197 | |
| 183 | E | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | Y | A | 0.6627 | |
| 186 | N | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | I | A | 0.1199 | |
| 189 | L | A | 0.4164 | |
| 190 | T | A | 0.0000 | |
| 191 | T | A | -0.3852 | |
| 192 | H | A | -0.9890 | |
| 193 | T | A | -0.7795 | |
| 194 | T | A | 0.0000 | |
| 195 | L | A | -1.4608 | |
| 196 | E | A | -2.5162 | |
| 197 | H | A | -1.3386 | |
| 198 | S | A | -1.0946 | |
| 199 | D | A | -0.9585 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | D | A | 0.0000 | |
| 206 | N | A | -0.4093 | |
| 207 | E | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | Y | A | -1.6162 | |
| 211 | D | A | -3.0942 | |
| 212 | I | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | R | A | -4.5934 | |
| 215 | R | A | -3.6237 | |
| 216 | N | A | -2.4764 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -3.9062 | |
| 219 | I | A | -3.2873 | |
| 220 | E | A | -3.9738 | |
| 221 | R | A | -3.3932 | |
| 222 | P | A | 0.0000 | |
| 223 | T | A | -0.5434 | |
| 224 | Y | A | 0.1109 | |
| 225 | T | A | -0.1924 | |
| 226 | N | A | -0.4500 | |
| 227 | L | A | 0.0000 | |
| 228 | N | A | 0.0000 | |
| 229 | R | A | -0.5487 | |
| 230 | L | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | S | A | -0.4814 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | F | A | -1.1465 | |
| 245 | D | A | -1.7498 | |
| 246 | G | A | -0.5082 | |
| 247 | A | A | 0.4004 | |
| 248 | L | A | 0.7549 | |
| 249 | N | A | -0.6981 | |
| 250 | V | A | 0.0000 | |
| 251 | D | A | -0.7994 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | -0.7631 | |
| 254 | E | A | -1.0673 | |
| 255 | F | A | 0.0000 | |
| 256 | Q | A | -0.8091 | |
| 257 | T | A | -0.5828 | |
| 258 | N | A | -0.7450 | |
| 259 | L | A | 0.0000 | |
| 260 | V | A | -0.0315 | |
| 261 | P | A | 0.2511 | |
| 262 | Y | A | 0.6246 | |
| 263 | P | A | -0.7680 | |
| 264 | R | A | -1.5442 | |
| 265 | I | A | 0.2526 | |
| 266 | H | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | P | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | P | A | -0.2007 | |
| 275 | V | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | A | A | -1.4266 | |
| 279 | E | A | -2.4612 | |
| 280 | K | A | -2.6209 | |
| 281 | A | A | -1.7629 | |
| 282 | Y | A | -0.6419 | |
| 283 | H | A | -2.1114 | |
| 284 | E | A | -2.7514 | |
| 285 | Q | A | -2.1859 | |
| 286 | L | A | -1.4786 | |
| 287 | S | A | -1.3761 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | -1.0107 | |
| 290 | E | A | -1.2690 | |
| 291 | I | A | 0.0000 | |
| 292 | T | A | 0.0000 | |
| 293 | N | A | -0.9772 | |
| 294 | A | A | -0.8557 | |
| 295 | C | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | E | A | -1.4651 | |
| 298 | P | A | -1.0978 | |
| 299 | A | A | -0.9848 | |
| 300 | N | A | -0.9812 | |
| 301 | Q | A | 0.0000 | |
| 302 | M | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -0.8956 | |
| 305 | C | A | 0.0000 | |
| 306 | D | A | -1.5558 | |
| 307 | P | A | 0.0000 | |
| 308 | R | A | -3.1874 | |
| 309 | H | A | -2.4034 | |
| 310 | G | A | -1.8943 | |
| 311 | K | A | -2.1314 | |
| 312 | Y | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | Y | A | 0.0000 | |
| 320 | R | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | D | A | -1.6038 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | -0.2050 | |
| 325 | P | A | -0.9884 | |
| 326 | K | A | -2.6075 | |
| 327 | D | A | -2.5971 | |
| 328 | V | A | 0.0000 | |
| 329 | N | A | -2.0947 | |
| 330 | A | A | -1.5484 | |
| 331 | A | A | 0.0000 | |
| 332 | I | A | -0.8194 | |
| 333 | A | A | -0.9501 | |
| 334 | A | A | -0.7650 | |
| 335 | I | A | 0.0000 | |
| 336 | K | A | -2.1375 | |
| 337 | T | A | -1.7122 | |
| 338 | K | A | -2.3412 | |
| 339 | R | A | -2.9680 | |
| 340 | S | A | -2.5053 | |
| 341 | I | A | -2.3951 | |
| 342 | Q | A | -2.8782 | |
| 343 | F | A | -1.4056 | |
| 344 | V | A | 0.0000 | |
| 345 | D | A | -1.5272 | |
| 346 | W | A | 0.2026 | |
| 347 | C | A | -0.0136 | |
| 348 | P | A | -0.4938 | |
| 349 | T | A | -0.3285 | |
| 350 | G | A | 0.0000 | |
| 351 | F | A | -0.2598 | |
| 352 | K | A | -0.1859 | |
| 353 | V | A | 0.1064 | |
| 354 | G | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | Y | A | 0.2688 | |
| 358 | Q | A | -0.6099 | |
| 359 | P | A | -0.9514 | |
| 360 | P | A | 0.0000 | |
| 361 | T | A | -0.3365 | |
| 362 | V | A | -0.3171 | |
| 363 | V | A | -0.2445 | |
| 364 | P | A | -0.5040 | |
| 365 | G | A | -0.6084 | |
| 366 | G | A | -0.7021 | |
| 367 | D | A | -1.0377 | |
| 368 | L | A | -0.8798 | |
| 369 | A | A | 0.0000 | |
| 370 | K | A | -1.8213 | |
| 371 | V | A | -1.3642 | |
| 372 | Q | A | -1.8496 | |
| 373 | R | A | -1.4057 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | M | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | T | A | -0.6873 | |
| 383 | A | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | A | A | -0.3294 | |
| 386 | E | A | -1.0156 | |
| 387 | A | A | 0.0000 | |
| 388 | W | A | -0.5548 | |
| 389 | A | A | -1.0866 | |
| 390 | R | A | -1.6888 | |
| 391 | L | A | 0.0000 | |
| 392 | D | A | -2.2481 | |
| 393 | H | A | -2.1221 | |
| 394 | K | A | -1.2303 | |
| 395 | F | A | -0.9285 | |
| 396 | D | A | -2.0046 | |
| 397 | L | A | -0.2202 | |
| 398 | M | A | -0.0093 | |
| 399 | Y | A | -0.3268 | |
| 400 | A | A | -0.9555 | |
| 401 | K | A | -1.8251 | |
| 402 | R | A | -1.7114 | |
| 403 | A | A | 0.2837 | |
| 404 | F | A | 1.7208 | |
| 405 | V | A | 0.8132 | |
| 406 | H | A | -0.2184 |
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