| Chain sequence(s) |
A: MSAYCGKYKDELIKNAAYIGTPGKGILAADESTGTIGKRFASINVENVEDNRRAFRELLFCTPGALQYISGVILFDETLYQKTKDGKPFVDVLKEAGALPGIKVDKGTIEVAGTDKETTTQGHDDLGKQCAKYYEAGARFAKWRAVLKIGPNQPSQLAIDLNAQGLACYAIICQENGLVPIVEPEILVDGPHDIDRCAYVSEVVLAACYKALNEHHVLLEGTLLKPNMVTPGSDAKKVAPEVIAEYTVRTLQRTVPPAVPAIVFLSGGQSEEEATLNLNAMNKLSAKKPWSLSFSFGRALQQSTLKAWAGKTENVEKARAAFLVRCKANSEATLGTYKGDAVLGEGAAESLHVKDYKY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FL55A,CR168A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.68179 kcal/mol |
| 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] FoldX: Building mutant model (00:07:04)
[INFO] FoldX: Starting FoldX energy minimalization (00:07:18)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:15)
[INFO] Main: Simulation completed successfully. (00:10:17)
|
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 | 0.9517 | |
| 2 | S | A | -0.2190 | |
| 3 | A | A | -0.4433 | |
| 4 | Y | A | 0.0000 | |
| 5 | C | A | -0.3204 | |
| 6 | G | A | -1.5185 | |
| 7 | K | A | -2.4736 | |
| 8 | Y | A | -2.1096 | |
| 9 | K | A | -2.4930 | |
| 10 | D | A | -2.9482 | |
| 11 | E | A | -2.1894 | |
| 12 | L | A | 0.0000 | |
| 13 | I | A | -1.5503 | |
| 14 | K | A | -2.2517 | |
| 15 | N | A | -1.1820 | |
| 16 | A | A | 0.0000 | |
| 17 | A | A | -0.4789 | |
| 18 | Y | A | -0.0727 | |
| 19 | I | A | 0.0000 | |
| 20 | G | A | 0.0000 | |
| 21 | T | A | -0.0913 | |
| 22 | P | A | -0.1091 | |
| 23 | G | A | -0.4316 | |
| 24 | K | A | -0.5781 | |
| 25 | G | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | E | A | 0.0000 | |
| 32 | S | A | -0.4692 | |
| 33 | T | A | -0.7100 | |
| 34 | G | A | -0.8261 | |
| 35 | T | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | G | A | -1.5083 | |
| 38 | K | A | -2.3098 | |
| 39 | R | A | -1.4424 | |
| 40 | F | A | 0.0000 | |
| 41 | A | A | -1.6543 | |
| 42 | S | A | -1.0423 | |
| 43 | I | A | -1.1654 | |
| 44 | N | A | -1.9480 | |
| 45 | V | A | 0.0000 | |
| 46 | E | A | -2.7876 | |
| 47 | N | A | -2.2818 | |
| 48 | V | A | -1.4053 | |
| 49 | E | A | -2.8270 | |
| 50 | D | A | -3.1115 | |
| 51 | N | A | -2.1434 | |
| 52 | R | A | -1.8328 | |
| 53 | R | A | -2.0395 | |
| 54 | A | A | -1.6013 | |
| 55 | L | A | 0.0000 | mutated: FL55A |
| 56 | R | A | 0.0000 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | C | A | 0.0857 | |
| 62 | T | A | 0.0000 | |
| 63 | P | A | -0.6922 | |
| 64 | G | A | -0.8223 | |
| 65 | A | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | Q | A | -1.4344 | |
| 68 | Y | A | -0.9167 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | F | A | -0.0077 | |
| 76 | D | A | -0.5435 | |
| 77 | E | A | -0.6410 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | 0.7086 | |
| 81 | Q | A | -1.1772 | |
| 82 | K | A | -2.5135 | |
| 83 | T | A | 0.0000 | |
| 84 | K | A | -3.4508 | |
| 85 | D | A | -3.2661 | |
| 86 | G | A | -2.6139 | |
| 87 | K | A | -2.6820 | |
| 88 | P | A | -1.7053 | |
| 89 | F | A | 0.0000 | |
| 90 | V | A | -1.2830 | |
| 91 | D | A | -2.6934 | |
| 92 | V | A | -1.8349 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -3.0180 | |
| 95 | E | A | -2.9650 | |
| 96 | A | A | -1.9356 | |
| 97 | G | A | -1.6891 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | P | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | K | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | D | A | 0.0000 | |
| 106 | K | A | -2.0485 | |
| 107 | G | A | -1.0175 | |
| 108 | T | A | -0.7551 | |
| 109 | I | A | -0.7226 | |
| 110 | E | A | -2.1769 | |
| 111 | V | A | -1.0753 | |
| 112 | A | A | -1.0156 | |
| 113 | G | A | -1.1532 | |
| 114 | T | A | -1.8620 | |
| 115 | D | A | -3.1838 | |
| 116 | K | A | -3.0765 | |
| 117 | E | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | T | A | -0.3304 | |
| 120 | T | A | 0.0000 | |
| 121 | Q | A | -1.3654 | |
| 122 | G | A | -1.9478 | |
| 123 | H | A | -2.1730 | |
| 124 | D | A | -3.2971 | |
| 125 | D | A | -3.3662 | |
| 126 | L | A | 0.0000 | |
| 127 | G | A | -2.4151 | |
| 128 | K | A | -3.2001 | |
| 129 | Q | A | -2.8155 | |
| 130 | C | A | 0.0000 | |
| 131 | A | A | -2.2368 | |
| 132 | K | A | -2.9266 | |
| 133 | Y | A | 0.0000 | |
| 134 | Y | A | -1.4558 | |
| 135 | E | A | -2.4638 | |
| 136 | A | A | -1.0615 | |
| 137 | G | A | -1.2046 | |
| 138 | A | A | 0.0000 | |
| 139 | R | A | -0.6219 | |
| 140 | F | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | K | A | 0.0000 | |
| 143 | W | A | 0.0000 | |
| 144 | R | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.1929 | |
| 149 | I | A | 0.0000 | |
| 150 | G | A | -1.0530 | |
| 151 | P | A | -0.9678 | |
| 152 | N | A | -1.8969 | |
| 153 | Q | A | 0.0000 | |
| 154 | P | A | -0.8494 | |
| 155 | S | A | -1.1505 | |
| 156 | Q | A | -1.0730 | |
| 157 | L | A | 0.0715 | |
| 158 | A | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | D | A | -1.1100 | |
| 161 | L | A | -0.1744 | |
| 162 | N | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | Q | A | -1.8948 | |
| 165 | G | A | -1.0875 | |
| 166 | L | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | R | A | -1.8187 | mutated: CR168A |
| 169 | Y | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | I | A | -0.6890 | |
| 172 | I | A | -0.9880 | |
| 173 | C | A | 0.0000 | |
| 174 | Q | A | 0.0000 | |
| 175 | E | A | -2.0505 | |
| 176 | N | A | -1.9067 | |
| 177 | G | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | P | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | E | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | V | A | -0.2960 | |
| 189 | D | A | 0.0000 | |
| 190 | G | A | -1.2721 | |
| 191 | P | A | -1.6622 | |
| 192 | H | A | 0.0000 | |
| 193 | D | A | -3.2259 | |
| 194 | I | A | 0.0000 | |
| 195 | D | A | -2.2214 | |
| 196 | R | A | -1.5491 | |
| 197 | C | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | Y | A | 0.6106 | |
| 200 | V | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | E | A | -0.3739 | |
| 203 | V | A | 0.4021 | |
| 204 | V | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -0.5855 | |
| 207 | A | A | -0.9967 | |
| 208 | C | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | K | A | -2.7630 | |
| 211 | A | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | N | A | -2.9312 | |
| 214 | E | A | -3.3784 | |
| 215 | H | A | -2.1980 | |
| 216 | H | A | -1.5697 | |
| 217 | V | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | E | A | -1.3353 | |
| 221 | G | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | K | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | T | A | -0.8325 | |
| 231 | P | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | S | A | -1.7965 | |
| 234 | D | A | -2.7109 | |
| 235 | A | A | -2.5773 | |
| 236 | K | A | -3.1409 | |
| 237 | K | A | -2.7585 | |
| 238 | V | A | -1.0747 | |
| 239 | A | A | -0.4783 | |
| 240 | P | A | -0.9279 | |
| 241 | E | A | -1.8748 | |
| 242 | V | A | -0.5188 | |
| 243 | I | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | E | A | -1.7242 | |
| 246 | Y | A | -1.0623 | |
| 247 | T | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | R | A | -1.9271 | |
| 250 | T | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | Q | A | -1.8945 | |
| 253 | R | A | -1.6818 | |
| 254 | T | A | -1.1222 | |
| 255 | V | A | 0.0000 | |
| 256 | P | A | -0.5492 | |
| 257 | P | A | -0.5708 | |
| 258 | A | A | -0.4468 | |
| 259 | V | A | 0.0000 | |
| 260 | P | A | -0.4407 | |
| 261 | A | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | S | A | 0.0000 | |
| 267 | G | A | 0.0833 | |
| 268 | G | A | -0.3264 | |
| 269 | Q | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | E | A | 0.0000 | |
| 272 | E | A | -0.5475 | |
| 273 | E | A | -0.5356 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | L | A | -0.2917 | |
| 277 | N | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | N | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | M | A | 0.0000 | |
| 282 | N | A | -0.7379 | |
| 283 | K | A | -1.7185 | |
| 284 | L | A | -1.4478 | |
| 285 | S | A | -1.0208 | |
| 286 | A | A | -1.5116 | |
| 287 | K | A | -2.0844 | |
| 288 | K | A | -1.5121 | |
| 289 | P | A | -0.9242 | |
| 290 | W | A | 0.0000 | |
| 291 | S | A | -0.1610 | |
| 292 | L | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | G | A | -0.2247 | |
| 298 | R | A | -0.4160 | |
| 299 | A | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | Q | A | 0.0000 | |
| 302 | Q | A | -1.0241 | |
| 303 | S | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | K | A | -1.4114 | |
| 307 | A | A | -1.6476 | |
| 308 | W | A | 0.0000 | |
| 309 | A | A | -1.1378 | |
| 310 | G | A | -1.6469 | |
| 311 | K | A | -2.0253 | |
| 312 | T | A | -1.8471 | |
| 313 | E | A | -2.9091 | |
| 314 | N | A | -2.6898 | |
| 315 | V | A | -2.1244 | |
| 316 | E | A | -3.0297 | |
| 317 | K | A | -2.9947 | |
| 318 | A | A | 0.0000 | |
| 319 | R | A | -1.3224 | |
| 320 | A | A | -0.9677 | |
| 321 | A | A | -0.3864 | |
| 322 | F | A | 0.0000 | |
| 323 | L | A | 0.0373 | |
| 324 | V | A | 0.7293 | |
| 325 | R | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | K | A | -1.1182 | |
| 328 | A | A | 0.0000 | |
| 329 | N | A | 0.0000 | |
| 330 | S | A | 0.0000 | |
| 331 | E | A | -0.8670 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | -0.0981 | |
| 334 | L | A | 0.4336 | |
| 335 | G | A | -0.5369 | |
| 336 | T | A | -0.7103 | |
| 337 | Y | A | 0.0000 | |
| 338 | K | A | -2.4677 | |
| 339 | G | A | -1.5961 | |
| 340 | D | A | -1.8883 | |
| 341 | A | A | -0.1436 | |
| 342 | V | A | 1.7065 | |
| 343 | L | A | 1.2417 | |
| 344 | G | A | -0.2924 | |
| 345 | E | A | -1.9035 | |
| 346 | G | A | -1.6697 | |
| 347 | A | A | 0.0000 | |
| 348 | A | A | -1.1336 | |
| 349 | E | A | -2.3277 | |
| 350 | S | A | -1.0559 | |
| 351 | L | A | 0.0000 | |
| 352 | H | A | -0.3550 | |
| 353 | V | A | 0.3491 | |
| 354 | K | A | -1.6323 | |
| 355 | D | A | -1.9762 | |
| 356 | Y | A | -0.8431 | |
| 357 | K | A | -1.0457 | |
| 358 | Y | A | -0.2393 |
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