| Chain sequence(s) |
A: MGSSHHHHHHSSGENLYFQGAMAIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAKGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFREVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTI
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 (00:06:36)
[INFO] Main: Simulation completed successfully. (00:06:38)
|
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 | 0.7475 | |
| 2 | G | A | -0.2045 | |
| 3 | S | A | -0.6271 | |
| 4 | S | A | -1.1430 | |
| 5 | H | A | -2.0330 | |
| 6 | H | A | -2.3818 | |
| 7 | H | A | -2.5872 | |
| 8 | H | A | -2.5825 | |
| 9 | H | A | -2.3865 | |
| 10 | H | A | -2.0399 | |
| 11 | S | A | -1.5629 | |
| 12 | S | A | -1.5329 | |
| 13 | G | A | -1.7963 | |
| 14 | E | A | -2.2375 | |
| 15 | N | A | -1.1207 | |
| 16 | L | A | 0.7522 | |
| 17 | Y | A | 1.3509 | |
| 18 | F | A | 0.7787 | |
| 19 | Q | A | -0.6843 | |
| 20 | G | A | -0.9301 | |
| 21 | A | A | 0.0000 | |
| 22 | M | A | 1.1449 | |
| 23 | A | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | A | A | -0.2371 | |
| 26 | M | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.2082 | |
| 29 | P | A | -1.0889 | |
| 30 | N | A | -1.9805 | |
| 31 | K | A | -2.2734 | |
| 32 | T | A | 0.0000 | |
| 33 | Q | A | -1.7946 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | -1.6404 | |
| 36 | P | A | -2.1724 | |
| 37 | K | A | -2.3012 | |
| 38 | S | A | -1.6450 | |
| 39 | G | A | -1.6101 | |
| 40 | G | A | -2.0431 | |
| 41 | E | A | -2.6931 | |
| 42 | G | A | -2.3181 | |
| 43 | K | A | -2.4939 | |
| 44 | V | A | -1.1221 | |
| 45 | K | A | 0.0000 | |
| 46 | D | A | -1.2453 | |
| 47 | I | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | A | A | -0.0706 | |
| 50 | S | A | 0.0133 | |
| 51 | P | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -1.1015 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | -1.4497 | |
| 58 | G | A | -1.1962 | |
| 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 | -0.7838 | |
| 68 | T | A | -1.0652 | |
| 69 | K | A | -1.5678 | |
| 70 | N | A | -1.6125 | |
| 71 | K | A | -1.9155 | |
| 72 | L | A | -0.6859 | |
| 73 | F | A | -0.5954 | |
| 74 | P | A | -1.1706 | |
| 75 | E | A | -1.4305 | |
| 76 | V | A | 0.1296 | |
| 77 | I | A | 0.4670 | |
| 78 | D | A | -1.5880 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | D | A | -1.0395 | |
| 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 | -1.3906 | |
| 91 | A | A | -1.1381 | |
| 92 | P | A | -1.4317 | |
| 93 | E | A | -2.3651 | |
| 94 | T | A | -1.2959 | |
| 95 | W | A | -0.8183 | |
| 96 | Q | A | -1.4144 | |
| 97 | S | A | -1.1862 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | -0.3724 | |
| 100 | A | A | -0.9121 | |
| 101 | E | A | -1.0600 | |
| 102 | V | A | 0.0000 | |
| 103 | T | A | -1.1946 | |
| 104 | K | A | -2.0324 | |
| 105 | E | A | -1.9559 | |
| 106 | Y | A | -0.2506 | |
| 107 | W | A | -0.6851 | |
| 108 | Q | A | -0.9455 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | -1.0565 | |
| 111 | T | A | -1.1326 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -2.2649 | |
| 115 | S | A | 0.0000 | |
| 116 | A | A | -1.4564 | |
| 117 | N | A | -2.5252 | |
| 118 | N | A | -2.5517 | |
| 119 | S | A | -2.1340 | |
| 120 | N | A | -2.2189 | |
| 121 | H | A | -1.6433 | |
| 122 | R | A | -2.3561 | |
| 123 | V | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | R | A | -0.4655 | |
| 128 | L | A | -0.0180 | |
| 129 | P | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | T | A | -0.8983 | |
| 134 | R | A | -1.2400 | |
| 135 | G | A | -1.4495 | |
| 136 | N | A | -1.9170 | |
| 137 | K | A | -2.4137 | |
| 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 | -0.7541 | |
| 145 | Y | A | -0.8420 | |
| 146 | E | A | -1.6830 | |
| 147 | E | A | -1.8441 | |
| 148 | R | A | -1.7100 | |
| 149 | R | A | -0.9815 | |
| 150 | E | A | -0.7664 | |
| 151 | I | A | 0.4828 | |
| 152 | D | A | -1.4425 | |
| 153 | D | A | -1.2511 | |
| 154 | Y | A | 0.7651 | |
| 155 | I | A | 0.8161 | |
| 156 | W | A | -0.2976 | |
| 157 | K | A | -1.6064 | |
| 158 | A | A | -1.3620 | |
| 159 | E | A | -1.7846 | |
| 160 | A | A | -1.1219 | |
| 161 | W | A | -0.9578 | |
| 162 | N | A | -1.6017 | |
| 163 | I | A | 0.0000 | |
| 164 | K | A | -1.4595 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | E | A | -2.1895 | |
| 168 | G | A | 0.0000 | |
| 169 | E | A | -2.9299 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -1.8450 | |
| 172 | Q | A | -1.8017 | |
| 173 | S | A | -1.3026 | |
| 174 | T | A | -1.0144 | |
| 175 | E | A | -1.6195 | |
| 176 | V | A | 0.2872 | |
| 177 | Q | A | -1.1442 | |
| 178 | P | A | -1.2040 | |
| 179 | T | A | -0.8639 | |
| 180 | Q | A | -1.2508 | |
| 181 | P | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | N | A | -2.1446 | |
| 184 | W | A | -1.9102 | |
| 185 | S | A | -1.9653 | |
| 186 | E | A | -2.4768 | |
| 187 | P | A | -2.0862 | |
| 188 | K | A | -2.6745 | |
| 189 | P | A | -1.7038 | |
| 190 | L | A | 0.0000 | |
| 191 | F | A | -1.8541 | |
| 192 | Q | A | -2.0268 | |
| 193 | T | A | -1.5682 | |
| 194 | D | A | -2.3855 | |
| 195 | S | A | -2.4121 | |
| 196 | P | A | -2.0944 | |
| 197 | N | A | -2.4551 | |
| 198 | N | A | -2.5113 | |
| 199 | K | A | -2.8957 | |
| 200 | G | A | -2.6122 | |
| 201 | D | A | -3.3111 | |
| 202 | L | A | -2.6670 | |
| 203 | K | A | -2.7607 | |
| 204 | E | A | -1.9651 | |
| 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 | 0.1806 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.5027 | |
| 214 | V | A | 0.4444 | |
| 215 | M | A | 0.0000 | |
| 216 | G | A | -1.5510 | |
| 217 | N | A | -1.6863 | |
| 218 | G | A | -0.8336 | |
| 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 | -1.8193 | |
| 228 | D | A | -2.8488 | |
| 229 | E | A | -3.4047 | |
| 230 | S | A | -2.3517 | |
| 231 | N | A | -2.6561 | |
| 232 | K | A | -1.7278 | |
| 233 | V | A | 0.0000 | |
| 234 | F | A | -0.0235 | |
| 235 | S | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | -0.6465 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -1.3492 | |
| 242 | D | A | -1.5590 | |
| 243 | D | A | -1.6263 | |
| 244 | G | A | 0.0000 | |
| 245 | Q | A | -2.4148 | |
| 246 | K | A | -2.9660 | |
| 247 | W | A | -2.0786 | |
| 248 | E | A | -2.1241 | |
| 249 | I | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | -1.3991 | |
| 252 | G | A | 0.0000 | |
| 253 | V | A | 0.5253 | |
| 254 | S | A | 0.0000 | |
| 255 | S | A | 0.0251 | |
| 256 | V | A | 0.6695 | |
| 257 | A | A | -0.8092 | |
| 258 | C | A | 0.0000 | |
| 259 | R | A | -1.4348 | |
| 260 | S | A | -0.6801 | |
| 261 | P | A | 0.0000 | |
| 262 | R | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | E | A | -1.0598 | |
| 266 | W | A | 0.0000 | |
| 267 | E | A | -3.2567 | |
| 268 | E | A | -3.3562 | |
| 269 | G | A | -2.4735 | |
| 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 | -1.4709 | |
| 277 | C | A | 0.0000 | |
| 278 | E | A | -3.1934 | |
| 279 | D | A | -3.1919 | |
| 280 | G | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | K | A | -1.4676 | |
| 283 | V | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | -1.6512 | |
| 286 | S | A | 0.0000 | |
| 287 | R | A | -2.9230 | |
| 288 | D | A | -1.9761 | |
| 289 | M | A | -1.1672 | |
| 290 | G | A | 0.0000 | |
| 291 | K | A | -2.0242 | |
| 292 | T | A | -1.2684 | |
| 293 | W | A | -1.0385 | |
| 294 | T | A | -1.2807 | |
| 295 | E | A | -2.1472 | |
| 296 | A | A | 0.0000 | |
| 297 | K | A | -2.4672 | |
| 298 | G | A | -1.7031 | |
| 299 | T | A | -1.4062 | |
| 300 | L | A | 0.0000 | |
| 301 | P | A | -1.0809 | |
| 302 | G | A | -0.1349 | |
| 303 | V | A | 0.0000 | |
| 304 | W | A | -0.4679 | |
| 305 | L | A | -0.6712 | |
| 306 | K | A | -2.2481 | |
| 307 | S | A | -2.3907 | |
| 308 | G | A | -1.5615 | |
| 309 | P | A | -1.2406 | |
| 310 | E | A | -2.1657 | |
| 311 | L | A | -1.4313 | |
| 312 | P | A | -1.1797 | |
| 313 | E | A | -1.8180 | |
| 314 | V | A | 0.2476 | |
| 315 | S | A | -0.2083 | |
| 316 | L | A | 0.0000 | |
| 317 | R | A | -0.4245 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.2719 | |
| 323 | T | A | -0.2088 | |
| 324 | A | A | 0.0000 | |
| 325 | T | A | -1.9597 | |
| 326 | I | A | -2.1089 | |
| 327 | E | A | -2.8515 | |
| 328 | G | A | -2.5205 | |
| 329 | R | A | -3.2866 | |
| 330 | K | A | -2.9412 | |
| 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 | 0.0648 | |
| 339 | R | A | -0.8919 | |
| 340 | H | A | -1.2768 | |
| 341 | F | A | 0.0429 | |
| 342 | R | A | -1.9392 | |
| 343 | E | A | -1.9687 | |
| 344 | V | A | -0.1014 | |
| 345 | D | A | -1.8827 | |
| 346 | E | A | -1.6363 | |
| 347 | P | A | -0.6283 | |
| 348 | N | A | -0.4633 | |
| 349 | A | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | H | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | W | A | -0.0111 | |
| 354 | V | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | D | A | -2.0352 | |
| 357 | N | A | -1.9633 | |
| 358 | N | A | -2.5774 | |
| 359 | R | A | -2.5049 | |
| 360 | T | A | -1.1451 | |
| 361 | F | A | 0.1988 | |
| 362 | H | A | -0.3934 | |
| 363 | L | A | -0.3963 | |
| 364 | G | A | -0.6321 | |
| 365 | P | A | -0.2682 | |
| 366 | F | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | V | A | 0.7848 | |
| 369 | D | A | 0.0000 | |
| 370 | C | A | -0.7824 | |
| 371 | A | A | -1.3826 | |
| 372 | E | A | -2.5012 | |
| 373 | N | A | -1.9270 | |
| 374 | K | A | -1.4911 | |
| 375 | T | A | 0.0000 | |
| 376 | F | A | -0.0040 | |
| 377 | A | A | 0.1754 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | 0.0067 | |
| 382 | Y | A | -0.4734 | |
| 383 | S | A | -1.4121 | |
| 384 | D | A | -2.8899 | |
| 385 | D | A | -2.7862 | |
| 386 | A | A | -1.5520 | |
| 387 | L | A | 0.0000 | |
| 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 | -1.0298 | |
| 394 | G | A | 0.0000 | |
| 395 | D | A | -2.7664 | |
| 396 | H | A | -2.7376 | |
| 397 | E | A | -2.8328 | |
| 398 | S | A | -1.8693 | |
| 399 | T | A | 0.0000 | |
| 400 | A | A | -0.1582 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.1504 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -0.5034 | |
| 406 | L | A | 0.0000 | |
| 407 | T | A | -1.4836 | |
| 408 | E | A | -2.4065 | |
| 409 | E | A | -1.5394 | |
| 410 | L | A | -1.1902 | |
| 411 | N | A | -1.7311 | |
| 412 | T | A | -0.8786 | |
| 413 | I | A | -0.2795 |
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