| Chain sequence(s) |
A: MVERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEKSLRVDALITATIEGRKVMLYTQKVRHFKEVDEPNALHLWVTDNNRTFHLGPFSVDSAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTI
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 (00:12:50)
[INFO] Main: Simulation completed successfully. (00:12:58)
|
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 | 1.1406 | |
| 2 | V | A | 0.7352 | |
| 3 | E | A | -1.9089 | |
| 4 | R | A | -2.8079 | |
| 5 | N | A | -2.7234 | |
| 6 | S | A | -1.9613 | |
| 7 | G | A | -1.7713 | |
| 8 | D | A | -1.7810 | |
| 9 | L | A | -0.1193 | |
| 10 | Q | A | -0.8968 | |
| 11 | L | A | -0.0080 | |
| 12 | P | A | -0.7387 | |
| 13 | Q | A | -0.9714 | |
| 14 | E | A | -0.7013 | |
| 15 | I | A | -0.1415 | |
| 16 | A | A | 0.1416 | |
| 17 | M | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | V | A | -0.2398 | |
| 20 | P | A | -1.1161 | |
| 21 | N | A | -2.1003 | |
| 22 | K | A | -2.3441 | |
| 23 | T | A | 0.0000 | |
| 24 | Q | A | -1.7733 | |
| 25 | V | A | 0.0000 | |
| 26 | V | A | -1.5670 | |
| 27 | P | A | -1.9629 | |
| 28 | K | A | -2.0134 | |
| 29 | S | A | -1.5483 | |
| 30 | G | A | -1.6398 | |
| 31 | G | A | -2.0657 | |
| 32 | E | A | -2.7072 | |
| 33 | G | A | -2.2693 | |
| 34 | K | A | -2.4646 | |
| 35 | V | A | -1.0871 | |
| 36 | K | A | 0.0000 | |
| 37 | D | A | -1.3329 | |
| 38 | I | A | -0.8815 | |
| 39 | F | A | 0.0000 | |
| 40 | A | A | -0.0668 | |
| 41 | S | A | -0.0133 | |
| 42 | P | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | R | A | -1.0056 | |
| 47 | A | A | 0.0000 | |
| 48 | G | A | -1.5945 | |
| 49 | G | A | -1.4754 | |
| 50 | V | A | 0.0000 | |
| 51 | M | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | E | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | R | A | -0.6580 | |
| 59 | T | A | -1.2036 | |
| 60 | K | A | -1.6683 | |
| 61 | N | A | -1.7001 | |
| 62 | K | A | -1.9914 | |
| 63 | L | A | -0.7940 | |
| 64 | F | A | 0.0000 | |
| 65 | P | A | -1.2761 | |
| 66 | E | A | -1.5340 | |
| 67 | V | A | 0.2152 | |
| 68 | I | A | 0.6192 | |
| 69 | D | A | -1.5794 | |
| 70 | L | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | S | A | 0.0000 | |
| 74 | D | A | -0.7223 | |
| 75 | I | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | K | A | -1.6460 | |
| 82 | A | A | -1.2812 | |
| 83 | P | A | -1.4248 | |
| 84 | E | A | -2.4340 | |
| 85 | T | A | -1.2585 | |
| 86 | W | A | -0.9501 | |
| 87 | Q | A | -1.2915 | |
| 88 | S | A | -1.0847 | |
| 89 | L | A | 0.0000 | |
| 90 | V | A | -0.0891 | |
| 91 | A | A | -0.2763 | |
| 92 | E | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | T | A | -0.5392 | |
| 95 | K | A | -1.1382 | |
| 96 | E | A | -1.5567 | |
| 97 | Y | A | 0.0200 | |
| 98 | W | A | -0.3859 | |
| 99 | Q | A | -0.8111 | |
| 100 | A | A | 0.0000 | |
| 101 | H | A | -0.9332 | |
| 102 | T | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | E | A | -1.4751 | |
| 106 | S | A | -1.1740 | |
| 107 | A | A | -1.3197 | |
| 108 | N | A | -2.4984 | |
| 109 | N | A | -2.6680 | |
| 110 | S | A | -2.3487 | |
| 111 | N | A | -2.4415 | |
| 112 | H | A | -2.0747 | |
| 113 | R | A | -2.8966 | |
| 114 | V | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | R | A | -0.4769 | |
| 119 | L | A | -0.0412 | |
| 120 | P | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | T | A | -1.0932 | |
| 125 | R | A | -1.9609 | |
| 126 | G | A | -1.7545 | |
| 127 | N | A | -2.0777 | |
| 128 | K | A | -2.4865 | |
| 129 | V | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | S | A | -0.7457 | |
| 136 | Y | A | 0.0000 | |
| 137 | E | A | -1.9270 | |
| 138 | E | A | -2.1124 | |
| 139 | R | A | -2.2995 | |
| 140 | R | A | -1.2617 | |
| 141 | E | A | -0.9506 | |
| 142 | I | A | 0.5536 | |
| 143 | D | A | -1.4260 | |
| 144 | D | A | -1.3096 | |
| 145 | Y | A | 0.8146 | |
| 146 | I | A | 0.6169 | |
| 147 | W | A | -0.4203 | |
| 148 | K | A | -1.4700 | |
| 149 | A | A | -1.5163 | |
| 150 | E | A | -2.0984 | |
| 151 | A | A | -1.1882 | |
| 152 | W | A | -1.1528 | |
| 153 | N | A | -1.4468 | |
| 154 | I | A | 0.0000 | |
| 155 | K | A | -0.9195 | |
| 156 | V | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | E | A | -1.4350 | |
| 159 | G | A | 0.0000 | |
| 160 | E | A | -2.6313 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | -1.7923 | |
| 163 | Q | A | -1.8254 | |
| 164 | S | A | -1.3124 | |
| 165 | T | A | -1.0281 | |
| 166 | E | A | -1.6549 | |
| 167 | V | A | 0.2740 | |
| 168 | Q | A | -1.1383 | |
| 169 | P | A | -1.3103 | |
| 170 | T | A | -0.6927 | |
| 171 | Q | A | -1.0733 | |
| 172 | P | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | N | A | -1.8975 | |
| 175 | W | A | -1.6323 | |
| 176 | S | A | -1.5997 | |
| 177 | E | A | -2.0871 | |
| 178 | P | A | -1.3568 | |
| 179 | K | A | -1.3847 | |
| 180 | P | A | -1.0784 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | -1.3274 | |
| 183 | Q | A | -2.0941 | |
| 184 | T | A | -1.5936 | |
| 185 | D | A | -2.4972 | |
| 186 | S | A | -2.3209 | |
| 187 | P | A | -2.3925 | |
| 188 | N | A | -3.4516 | |
| 189 | N | A | -3.2102 | |
| 190 | K | A | -3.3392 | |
| 191 | G | A | -3.0899 | |
| 192 | D | A | -3.8910 | |
| 193 | L | A | -3.0208 | |
| 194 | K | A | -2.9807 | |
| 195 | E | A | -1.9347 | |
| 196 | F | A | -0.6667 | |
| 197 | L | A | -0.3189 | |
| 198 | G | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | S | A | 0.1654 | |
| 203 | G | A | 0.0000 | |
| 204 | I | A | 0.4029 | |
| 205 | V | A | 0.2593 | |
| 206 | M | A | 0.0000 | |
| 207 | G | A | -1.5551 | |
| 208 | N | A | -1.7575 | |
| 209 | G | A | -1.1648 | |
| 210 | T | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | P | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | K | A | -2.3451 | |
| 219 | D | A | -3.1846 | |
| 220 | E | A | -3.6259 | |
| 221 | S | A | -2.5043 | |
| 222 | N | A | -2.9848 | |
| 223 | K | A | -2.0743 | |
| 224 | V | A | 0.0000 | |
| 225 | F | A | -0.2507 | |
| 226 | S | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | Y | A | -0.6836 | |
| 231 | S | A | 0.0000 | |
| 232 | T | A | -1.6227 | |
| 233 | D | A | -1.9994 | |
| 234 | D | A | -2.5765 | |
| 235 | G | A | 0.0000 | |
| 236 | Q | A | -2.6280 | |
| 237 | K | A | -3.0741 | |
| 238 | W | A | -2.0793 | |
| 239 | E | A | -2.0989 | |
| 240 | I | A | -1.1073 | |
| 241 | P | A | 0.0000 | |
| 242 | G | A | -1.5144 | |
| 243 | G | A | -0.7506 | |
| 244 | V | A | 0.4715 | |
| 245 | S | A | 0.0000 | |
| 246 | S | A | -0.0241 | |
| 247 | V | A | 0.3958 | |
| 248 | A | A | -1.0092 | |
| 249 | C | A | 0.0000 | |
| 250 | R | A | -1.9022 | |
| 251 | S | A | -0.8946 | |
| 252 | P | A | 0.0000 | |
| 253 | R | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | E | A | -0.9139 | |
| 257 | W | A | 0.0000 | |
| 258 | E | A | -2.7603 | |
| 259 | E | A | -3.1557 | |
| 260 | G | A | -2.3697 | |
| 261 | T | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | M | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | Y | A | -1.7022 | |
| 268 | C | A | 0.0000 | |
| 269 | E | A | -3.2742 | |
| 270 | D | A | -3.1608 | |
| 271 | G | A | 0.0000 | |
| 272 | R | A | 0.0000 | |
| 273 | K | A | -0.6528 | |
| 274 | V | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | E | A | -0.7916 | |
| 277 | S | A | 0.0000 | |
| 278 | R | A | -2.8652 | |
| 279 | D | A | -1.9713 | |
| 280 | M | A | -1.1232 | |
| 281 | G | A | 0.0000 | |
| 282 | K | A | -2.0317 | |
| 283 | T | A | -1.2740 | |
| 284 | W | A | -0.8023 | |
| 285 | T | A | -0.3377 | |
| 286 | E | A | -0.2149 | |
| 287 | A | A | 0.3701 | |
| 288 | F | A | 1.4805 | |
| 289 | G | A | 0.1473 | |
| 290 | T | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | P | A | -0.4382 | |
| 293 | G | A | -0.2828 | |
| 294 | V | A | 0.0000 | |
| 295 | W | A | 0.1474 | |
| 296 | L | A | -0.6962 | |
| 297 | K | A | -2.2277 | |
| 298 | S | A | -2.3632 | |
| 299 | G | A | -1.7443 | |
| 300 | P | A | -1.2071 | |
| 301 | E | A | -2.1650 | |
| 302 | L | A | -1.8678 | |
| 303 | P | A | -1.9763 | |
| 304 | E | A | -3.1922 | |
| 305 | K | A | -2.6374 | |
| 306 | S | A | -1.6325 | |
| 307 | L | A | 0.0000 | |
| 308 | R | A | -1.2616 | |
| 309 | V | A | 0.0000 | |
| 310 | D | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | I | A | 0.2875 | |
| 314 | T | A | -0.0768 | |
| 315 | A | A | 0.0000 | |
| 316 | T | A | -1.7394 | |
| 317 | I | A | -2.0058 | |
| 318 | E | A | -2.7862 | |
| 319 | G | A | -2.4084 | |
| 320 | R | A | -3.0376 | |
| 321 | K | A | -2.3670 | |
| 322 | V | A | 0.0000 | |
| 323 | M | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | Y | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | Q | A | 0.0000 | |
| 328 | K | A | 0.0000 | |
| 329 | V | A | -0.1186 | |
| 330 | R | A | -1.2249 | |
| 331 | H | A | -1.3878 | |
| 332 | F | A | -0.0178 | |
| 333 | K | A | -2.0429 | |
| 334 | E | A | -2.5272 | |
| 335 | V | A | -0.5024 | |
| 336 | D | A | -2.4875 | |
| 337 | E | A | -2.7053 | |
| 338 | P | A | -1.4976 | |
| 339 | N | A | -1.0161 | |
| 340 | A | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | H | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | W | A | 0.1837 | |
| 345 | V | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | D | A | -1.9050 | |
| 348 | N | A | -2.0008 | |
| 349 | N | A | -2.5952 | |
| 350 | R | A | -2.5300 | |
| 351 | T | A | -1.0917 | |
| 352 | F | A | 0.2847 | |
| 353 | H | A | -0.0818 | |
| 354 | L | A | 0.0583 | |
| 355 | G | A | 0.0614 | |
| 356 | P | A | 0.3012 | |
| 357 | F | A | 0.0000 | |
| 358 | S | A | 0.2344 | |
| 359 | V | A | 0.5371 | |
| 360 | D | A | -0.8536 | |
| 361 | S | A | -1.4088 | |
| 362 | A | A | -1.5030 | |
| 363 | E | A | -3.1333 | |
| 364 | N | A | -2.6618 | |
| 365 | K | A | -1.9113 | |
| 366 | T | A | 0.0000 | |
| 367 | F | A | -0.7858 | |
| 368 | A | A | 0.0000 | |
| 369 | N | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.0684 | |
| 373 | Y | A | -0.4384 | |
| 374 | S | A | -1.3546 | |
| 375 | D | A | -2.8933 | |
| 376 | D | A | -2.7750 | |
| 377 | A | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | H | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | Q | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | K | A | -1.4839 | |
| 385 | G | A | 0.0000 | |
| 386 | D | A | -2.8307 | |
| 387 | H | A | -2.7447 | |
| 388 | E | A | -3.1214 | |
| 389 | S | A | -2.0972 | |
| 390 | T | A | 0.0000 | |
| 391 | A | A | -0.3094 | |
| 392 | V | A | 0.0000 | |
| 393 | S | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | R | A | -0.7844 | |
| 397 | L | A | 0.0000 | |
| 398 | T | A | -1.5700 | |
| 399 | E | A | -2.3248 | |
| 400 | E | A | -1.4301 | |
| 401 | L | A | -1.1949 | |
| 402 | N | A | -1.7669 | |
| 403 | T | A | -0.9034 | |
| 404 | I | A | -0.3058 |
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