| Chain sequence(s) |
A: MGSSHHHHHHSSGENLYFQGAMAIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEARGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFREVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLAR
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 (00:06:23)
[INFO] Main: Simulation completed successfully. (00:06:25)
|
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 | 0.7686 | |
| 2 | G | A | -0.1966 | |
| 3 | S | A | -0.7062 | |
| 4 | S | A | -1.2537 | |
| 5 | H | A | -2.0771 | |
| 6 | H | A | -2.3836 | |
| 7 | H | A | -2.6302 | |
| 8 | H | A | -2.6162 | |
| 9 | H | A | -2.4263 | |
| 10 | H | A | -2.0966 | |
| 11 | S | A | -1.6681 | |
| 12 | S | A | -1.6453 | |
| 13 | G | A | -1.8519 | |
| 14 | E | A | -2.1654 | |
| 15 | N | A | -1.1835 | |
| 16 | L | A | 0.8456 | |
| 17 | Y | A | 1.4094 | |
| 18 | F | A | 1.4901 | |
| 19 | Q | A | -0.1164 | |
| 20 | G | A | -0.3649 | |
| 21 | A | A | 0.1327 | |
| 22 | M | A | 0.7021 | |
| 23 | A | A | 0.3760 | |
| 24 | I | A | 0.4536 | |
| 25 | A | A | 0.3107 | |
| 26 | M | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.2791 | |
| 29 | P | A | -1.1729 | |
| 30 | N | A | -2.1581 | |
| 31 | K | A | -2.3875 | |
| 32 | T | A | 0.0000 | |
| 33 | Q | A | -1.9450 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | -1.3911 | |
| 36 | P | A | -1.7330 | |
| 37 | K | A | -1.5257 | |
| 38 | S | A | -1.3328 | |
| 39 | G | A | -1.4509 | |
| 40 | G | A | -1.9892 | |
| 41 | E | A | -2.7514 | |
| 42 | G | A | -2.2949 | |
| 43 | K | A | -2.5298 | |
| 44 | V | A | -1.1476 | |
| 45 | K | A | 0.0000 | |
| 46 | D | A | -1.3597 | |
| 47 | I | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | A | A | -0.0700 | |
| 50 | S | A | 0.0441 | |
| 51 | P | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -0.8815 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | -1.4764 | |
| 58 | G | A | -1.1236 | |
| 59 | V | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | R | A | 0.0000 | |
| 68 | T | A | -0.8161 | |
| 69 | K | A | -1.2561 | |
| 70 | N | A | -1.4365 | |
| 71 | K | A | -1.9225 | |
| 72 | L | A | -0.7711 | |
| 73 | F | A | 0.0000 | |
| 74 | P | A | -1.1455 | |
| 75 | E | A | -1.4774 | |
| 76 | V | A | 0.0993 | |
| 77 | I | A | 0.3311 | |
| 78 | D | A | -1.4368 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | D | A | -0.8512 | |
| 84 | I | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | K | A | -1.5114 | |
| 91 | A | A | -1.2063 | |
| 92 | P | A | -1.6607 | |
| 93 | E | A | -2.4409 | |
| 94 | T | A | -1.6857 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.5026 | |
| 97 | S | A | -1.3027 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | -0.2721 | |
| 100 | A | A | -0.7024 | |
| 101 | E | A | -1.1896 | |
| 102 | V | A | 0.0000 | |
| 103 | T | A | -0.8216 | |
| 104 | K | A | -1.4679 | |
| 105 | E | A | -1.6937 | |
| 106 | Y | A | -0.1425 | |
| 107 | W | A | 0.0000 | |
| 108 | Q | A | -0.8721 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -1.6767 | |
| 115 | S | A | -1.1731 | |
| 116 | A | A | -1.2909 | |
| 117 | N | A | -2.1627 | |
| 118 | N | A | -2.1089 | |
| 119 | S | A | -1.8654 | |
| 120 | N | A | -2.2351 | |
| 121 | H | A | -1.6505 | |
| 122 | R | A | -2.6973 | |
| 123 | V | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | R | A | -0.2862 | |
| 128 | L | A | 0.0250 | |
| 129 | P | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | T | A | -1.1360 | |
| 134 | R | A | -1.9733 | |
| 135 | G | A | -1.6820 | |
| 136 | N | A | -1.9461 | |
| 137 | K | A | -2.5478 | |
| 138 | V | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | S | A | -0.6657 | |
| 145 | Y | A | -0.8780 | |
| 146 | E | A | -1.7184 | |
| 147 | E | A | -1.7319 | |
| 148 | R | A | -1.9587 | |
| 149 | R | A | -1.0514 | |
| 150 | E | A | -0.6941 | |
| 151 | I | A | 0.7216 | |
| 152 | D | A | -1.3553 | |
| 153 | D | A | -1.2381 | |
| 154 | Y | A | 0.8261 | |
| 155 | I | A | 0.6749 | |
| 156 | W | A | -0.3013 | |
| 157 | K | A | -1.4136 | |
| 158 | A | A | -1.2070 | |
| 159 | E | A | -1.2781 | |
| 160 | A | A | -0.6677 | |
| 161 | W | A | -0.8274 | |
| 162 | N | A | -1.3630 | |
| 163 | I | A | 0.0000 | |
| 164 | K | A | -0.9717 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | E | A | -1.6215 | |
| 168 | G | A | 0.0000 | |
| 169 | E | A | -2.4490 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -1.6803 | |
| 172 | Q | A | -1.7482 | |
| 173 | S | A | -1.2818 | |
| 174 | T | A | -1.0300 | |
| 175 | E | A | -1.6354 | |
| 176 | V | A | 0.2863 | |
| 177 | Q | A | -1.0954 | |
| 178 | P | A | -1.2336 | |
| 179 | T | A | -0.6389 | |
| 180 | Q | A | -0.9688 | |
| 181 | P | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | N | A | -1.8713 | |
| 184 | W | A | -1.6495 | |
| 185 | S | A | -1.6604 | |
| 186 | E | A | -2.1281 | |
| 187 | P | A | -1.3726 | |
| 188 | K | A | -1.3738 | |
| 189 | P | A | -1.0610 | |
| 190 | L | A | 0.0000 | |
| 191 | F | A | -1.3202 | |
| 192 | Q | A | -2.1074 | |
| 193 | T | A | -1.6070 | |
| 194 | D | A | -2.4732 | |
| 195 | S | A | -2.2802 | |
| 196 | P | A | -2.4705 | |
| 197 | N | A | -3.4582 | |
| 198 | N | A | -3.2164 | |
| 199 | K | A | -3.3658 | |
| 200 | G | A | -3.1005 | |
| 201 | D | A | -3.6274 | |
| 202 | L | A | -2.6457 | |
| 203 | K | A | -2.4037 | |
| 204 | E | A | -1.4723 | |
| 205 | F | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | S | A | 0.1206 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.3050 | |
| 214 | V | A | 0.1177 | |
| 215 | M | A | 0.0000 | |
| 216 | G | A | -1.6452 | |
| 217 | N | A | -1.7502 | |
| 218 | G | A | -1.1685 | |
| 219 | T | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -1.9902 | |
| 228 | D | A | -2.7897 | |
| 229 | E | A | -3.4660 | |
| 230 | S | A | -2.3202 | |
| 231 | N | A | -2.8567 | |
| 232 | K | A | -1.7786 | |
| 233 | V | A | -0.7554 | |
| 234 | F | A | 0.1470 | |
| 235 | S | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | -0.7238 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -1.7191 | |
| 242 | D | A | -2.1904 | |
| 243 | D | A | -2.9544 | |
| 244 | G | A | 0.0000 | |
| 245 | Q | A | -2.7443 | |
| 246 | K | A | -3.1475 | |
| 247 | W | A | -2.1200 | |
| 248 | E | A | -2.0645 | |
| 249 | I | A | -1.0797 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | -1.8080 | |
| 252 | G | A | 0.0000 | |
| 253 | V | A | 0.4979 | |
| 254 | S | A | 0.0000 | |
| 255 | S | A | 0.0960 | |
| 256 | V | A | 0.6913 | |
| 257 | A | A | -0.5898 | |
| 258 | C | A | 0.0000 | |
| 259 | R | A | -0.8093 | |
| 260 | S | A | -0.4328 | |
| 261 | P | A | 0.0000 | |
| 262 | R | A | -0.2452 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | E | A | -1.0678 | |
| 266 | W | A | -1.6096 | |
| 267 | E | A | -3.1889 | |
| 268 | E | A | -3.3749 | |
| 269 | G | A | -2.5212 | |
| 270 | T | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | Y | A | -1.0529 | |
| 277 | C | A | 0.0000 | |
| 278 | E | A | -3.0932 | |
| 279 | D | A | -3.1606 | |
| 280 | G | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | K | A | -1.3915 | |
| 283 | V | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | -1.3256 | |
| 286 | S | A | 0.0000 | |
| 287 | R | A | -2.9775 | |
| 288 | D | A | -2.1046 | |
| 289 | M | A | -1.1970 | |
| 290 | G | A | 0.0000 | |
| 291 | K | A | -2.1483 | |
| 292 | T | A | -1.3314 | |
| 293 | W | A | -0.9504 | |
| 294 | T | A | -1.0636 | |
| 295 | E | A | -1.8050 | |
| 296 | A | A | -1.7069 | |
| 297 | R | A | -2.4706 | |
| 298 | G | A | -1.7497 | |
| 299 | T | A | -1.3919 | |
| 300 | L | A | 0.0000 | |
| 301 | P | A | -1.1067 | |
| 302 | G | A | -0.1738 | |
| 303 | V | A | 0.0000 | |
| 304 | W | A | -0.5696 | |
| 305 | L | A | -0.7085 | |
| 306 | K | A | -2.2816 | |
| 307 | S | A | -2.3632 | |
| 308 | G | A | -1.8076 | |
| 309 | P | A | -1.6221 | |
| 310 | E | A | -2.2584 | |
| 311 | L | A | 0.0000 | |
| 312 | P | A | -1.2212 | |
| 313 | E | A | -1.8067 | |
| 314 | V | A | 0.2025 | |
| 315 | S | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | R | A | -0.2867 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.2783 | |
| 323 | T | A | -0.0686 | |
| 324 | A | A | -0.8549 | |
| 325 | T | A | -1.7449 | |
| 326 | I | A | -1.8515 | |
| 327 | E | A | -2.7950 | |
| 328 | G | A | -2.3992 | |
| 329 | R | A | -3.0830 | |
| 330 | K | A | -2.5759 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | Q | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | V | A | 0.2513 | |
| 339 | R | A | -0.7154 | |
| 340 | H | A | -0.8944 | |
| 341 | F | A | 0.2227 | |
| 342 | R | A | -1.9625 | |
| 343 | E | A | -2.3265 | |
| 344 | V | A | -0.2806 | |
| 345 | D | A | -2.1172 | |
| 346 | E | A | -1.9252 | |
| 347 | P | A | -1.0119 | |
| 348 | N | A | -0.4995 | |
| 349 | A | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | H | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | W | A | 0.3945 | |
| 354 | V | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | D | A | -1.7726 | |
| 357 | N | A | -1.9910 | |
| 358 | N | A | -2.5817 | |
| 359 | R | A | -2.2961 | |
| 360 | T | A | -0.6456 | |
| 361 | F | A | 1.1461 | |
| 362 | H | A | 0.2748 | |
| 363 | L | A | 0.6113 | |
| 364 | G | A | 0.4316 | |
| 365 | P | A | 0.8847 | |
| 366 | F | A | 0.8450 | |
| 367 | S | A | 0.3367 | |
| 368 | V | A | 0.2660 | |
| 369 | D | A | 0.0000 | |
| 370 | C | A | -0.6768 | |
| 371 | A | A | -1.1006 | |
| 372 | E | A | -2.5325 | |
| 373 | N | A | -2.0498 | |
| 374 | K | A | -1.6740 | |
| 375 | T | A | 0.0000 | |
| 376 | F | A | -0.1164 | |
| 377 | A | A | 0.0883 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | -0.0130 | |
| 382 | Y | A | -0.4644 | |
| 383 | S | A | -1.2667 | |
| 384 | D | A | -2.8162 | |
| 385 | D | A | -2.7031 | |
| 386 | A | A | -1.6040 | |
| 387 | L | A | -0.8107 | |
| 388 | H | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | Q | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | K | A | -1.5674 | |
| 394 | G | A | 0.0000 | |
| 395 | D | A | -2.8219 | |
| 396 | H | A | -2.7103 | |
| 397 | E | A | -2.7039 | |
| 398 | S | A | -2.1398 | |
| 399 | T | A | 0.0000 | |
| 400 | A | A | -0.3652 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0852 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -1.4503 |
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