| Chain sequence(s) |
A: IKDLDRFANQILSYGSELDADHPGFTDPVYVARRKQFADIAFNYKHGQPIQRIEYTEQELNTWRTVFDNLTTLYPTHACKEFNYVFPLLKENCGYNRDNIPQLQDVSDFLKDCTGFTLRPVAGLLSSRDFLAGLAFRVFHSTQYIRHWKVPLYTPEPDVCHEILGHAPLFCNPEFAQFSQEIGLASLGASDENIEKLATCYWFTIEFGLCKENKDIKAYGAGLLSSFGELQYCLTDEPKTFPFDPEVTGLQKYPIVEYQPIYFIAESFTDAKHRLKKFSRTINRPFSVKYNPYTQSVEVLATATQITQLMMSLKEDFTAFEDAANKL
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 (00:08:40)
[INFO] Main: Simulation completed successfully. (00:08:43)
|
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 | I | A | -1.1789 | |
| 2 | K | A | -2.9135 | |
| 3 | D | A | -2.4578 | |
| 4 | L | A | 0.0000 | |
| 5 | D | A | -2.8974 | |
| 6 | R | A | -3.1522 | |
| 7 | F | A | 0.0000 | |
| 8 | A | A | -1.3593 | |
| 9 | N | A | -1.3448 | |
| 10 | Q | A | -1.2016 | |
| 11 | I | A | 0.6310 | |
| 12 | L | A | 1.6222 | |
| 13 | S | A | 0.2649 | |
| 14 | Y | A | -0.2908 | |
| 15 | G | A | 0.0000 | |
| 16 | S | A | -1.3055 | |
| 17 | E | A | -2.1531 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -2.5331 | |
| 20 | A | A | -1.5486 | |
| 21 | D | A | -2.1012 | |
| 22 | H | A | 0.0000 | |
| 23 | P | A | -0.5809 | |
| 24 | G | A | 0.0000 | |
| 25 | F | A | 0.2319 | |
| 26 | T | A | 0.4706 | |
| 27 | D | A | 0.6138 | |
| 28 | P | A | 0.8113 | |
| 29 | V | A | 1.5394 | |
| 30 | Y | A | 0.9087 | |
| 31 | V | A | 0.3200 | |
| 32 | A | A | -0.0283 | |
| 33 | R | A | -0.4477 | |
| 34 | R | A | 0.0000 | |
| 35 | K | A | -1.8726 | |
| 36 | Q | A | -1.8294 | |
| 37 | F | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | D | A | -1.8652 | |
| 40 | I | A | -1.1760 | |
| 41 | A | A | 0.0000 | |
| 42 | F | A | -0.9633 | |
| 43 | N | A | -1.6230 | |
| 44 | Y | A | -1.7560 | |
| 45 | K | A | -2.7668 | |
| 46 | H | A | -2.1841 | |
| 47 | G | A | -1.6788 | |
| 48 | Q | A | -1.8731 | |
| 49 | P | A | -1.6089 | |
| 50 | I | A | 0.0000 | |
| 51 | Q | A | -2.1487 | |
| 52 | R | A | -2.3830 | |
| 53 | I | A | 0.0000 | |
| 54 | E | A | -2.3871 | |
| 55 | Y | A | -1.5297 | |
| 56 | T | A | -1.6366 | |
| 57 | E | A | -2.7549 | |
| 58 | Q | A | -1.8260 | |
| 59 | E | A | 0.0000 | |
| 60 | L | A | -1.8234 | |
| 61 | N | A | -1.9184 | |
| 62 | T | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | R | A | -1.9894 | |
| 65 | T | A | -0.5766 | |
| 66 | V | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | D | A | -1.2851 | |
| 69 | N | A | -0.5083 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.5831 | |
| 72 | T | A | -0.2793 | |
| 73 | L | A | -0.1827 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -0.5036 | |
| 76 | T | A | -0.5537 | |
| 77 | H | A | -0.5626 | |
| 78 | A | A | 0.0000 | |
| 79 | C | A | 0.0000 | |
| 80 | K | A | -1.9482 | |
| 81 | E | A | -1.2292 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | -0.6072 | |
| 84 | Y | A | 0.4577 | |
| 85 | V | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -0.6360 | |
| 88 | L | A | -0.6441 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | -2.5293 | |
| 91 | E | A | -2.8863 | |
| 92 | N | A | -2.2873 | |
| 93 | C | A | 0.0000 | |
| 94 | G | A | -2.2700 | |
| 95 | Y | A | 0.0000 | |
| 96 | N | A | -3.3851 | |
| 97 | R | A | -3.5616 | |
| 98 | D | A | -3.5873 | |
| 99 | N | A | -2.5240 | |
| 100 | I | A | 0.0000 | |
| 101 | P | A | 0.0000 | |
| 102 | Q | A | -1.2296 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -1.3762 | |
| 105 | D | A | -1.6248 | |
| 106 | V | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | D | A | -2.3416 | |
| 109 | F | A | -1.7561 | |
| 110 | L | A | 0.0000 | |
| 111 | K | A | -2.9866 | |
| 112 | D | A | -2.7154 | |
| 113 | C | A | -1.2544 | |
| 114 | T | A | -1.1943 | |
| 115 | G | A | -1.6836 | |
| 116 | F | A | 0.0000 | |
| 117 | T | A | -1.1164 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | L | A | 1.3631 | |
| 125 | L | A | 0.0000 | |
| 126 | S | A | 0.1837 | |
| 127 | S | A | -0.7826 | |
| 128 | R | A | -1.2990 | |
| 129 | D | A | -0.6759 | |
| 130 | F | A | 0.1444 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -0.1291 | |
| 133 | G | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -0.6269 | |
| 138 | V | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | H | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | R | A | 0.0000 | |
| 147 | H | A | 0.0000 | |
| 148 | W | A | -0.1560 | |
| 149 | K | A | -0.9575 | |
| 150 | V | A | 0.3269 | |
| 151 | P | A | 0.5030 | |
| 152 | L | A | 1.2586 | |
| 153 | Y | A | 1.6822 | |
| 154 | T | A | 0.8631 | |
| 155 | P | A | 0.3649 | |
| 156 | E | A | 0.4081 | |
| 157 | P | A | -0.0737 | |
| 158 | D | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | H | A | -0.1790 | |
| 162 | E | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | G | A | 0.0000 | |
| 166 | H | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | N | A | 0.0000 | |
| 173 | P | A | -0.6908 | |
| 174 | E | A | -1.2326 | |
| 175 | F | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | Q | A | -0.8033 | |
| 178 | F | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | Q | A | 0.0000 | |
| 181 | E | A | -0.6487 | |
| 182 | I | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | L | A | -0.0523 | |
| 185 | A | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | 0.0253 | |
| 188 | G | A | -0.8843 | |
| 189 | A | A | 0.0000 | |
| 190 | S | A | -2.3673 | |
| 191 | D | A | -3.5105 | |
| 192 | E | A | -3.5473 | |
| 193 | N | A | -2.7735 | |
| 194 | I | A | 0.0000 | |
| 195 | E | A | -3.0016 | |
| 196 | K | A | -1.4710 | |
| 197 | L | A | 0.0000 | |
| 198 | A | A | -0.9625 | |
| 199 | T | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | W | A | 0.1422 | |
| 203 | F | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | I | A | 0.0000 | |
| 206 | E | A | -0.0677 | |
| 207 | F | A | 0.2818 | |
| 208 | G | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | C | A | 0.0000 | |
| 211 | K | A | -2.7622 | |
| 212 | E | A | -2.9048 | |
| 213 | N | A | -3.0234 | |
| 214 | K | A | -3.0869 | |
| 215 | D | A | -2.4798 | |
| 216 | I | A | -1.2441 | |
| 217 | K | A | -0.9503 | |
| 218 | A | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | G | A | 0.0787 | |
| 223 | L | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | S | A | 0.5520 | |
| 227 | F | A | 0.4550 | |
| 228 | G | A | 0.3257 | |
| 229 | E | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | Q | A | -0.3131 | |
| 232 | Y | A | -0.4349 | |
| 233 | C | A | 0.0000 | |
| 234 | L | A | -0.4205 | |
| 235 | T | A | -1.5424 | |
| 236 | D | A | -2.8811 | |
| 237 | E | A | -2.9881 | |
| 238 | P | A | 0.0000 | |
| 239 | K | A | -2.1396 | |
| 240 | T | A | -0.6582 | |
| 241 | F | A | 0.8337 | |
| 242 | P | A | -0.0651 | |
| 243 | F | A | 0.0000 | |
| 244 | D | A | -0.4538 | |
| 245 | P | A | 0.0000 | |
| 246 | E | A | -0.5477 | |
| 247 | V | A | 1.4716 | |
| 248 | T | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | L | A | 0.9909 | |
| 251 | Q | A | -0.0237 | |
| 252 | K | A | -1.0938 | |
| 253 | Y | A | 0.1691 | |
| 254 | P | A | 0.8979 | |
| 255 | I | A | 2.3478 | |
| 256 | V | A | 2.1701 | |
| 257 | E | A | 0.1017 | |
| 258 | Y | A | 0.9336 | |
| 259 | Q | A | 0.0000 | |
| 260 | P | A | -0.7336 | |
| 261 | I | A | -0.4682 | |
| 262 | Y | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | E | A | -2.5456 | |
| 267 | S | A | -1.6954 | |
| 268 | F | A | 0.0000 | |
| 269 | T | A | -1.2811 | |
| 270 | D | A | -1.7698 | |
| 271 | A | A | 0.0000 | |
| 272 | K | A | -1.8248 | |
| 273 | H | A | -2.3345 | |
| 274 | R | A | -2.4248 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -2.6328 | |
| 277 | K | A | -3.2569 | |
| 278 | F | A | 0.0000 | |
| 279 | S | A | -2.2637 | |
| 280 | R | A | -2.8708 | |
| 281 | T | A | -1.9312 | |
| 282 | I | A | 0.0000 | |
| 283 | N | A | -1.9253 | |
| 284 | R | A | -1.3481 | |
| 285 | P | A | -0.5591 | |
| 286 | F | A | 0.2316 | |
| 287 | S | A | -0.0849 | |
| 288 | V | A | 0.1039 | |
| 289 | K | A | -0.6931 | |
| 290 | Y | A | -0.3195 | |
| 291 | N | A | -0.3315 | |
| 292 | P | A | 0.0172 | |
| 293 | Y | A | 0.9786 | |
| 294 | T | A | 0.2226 | |
| 295 | Q | A | -0.4097 | |
| 296 | S | A | -0.4893 | |
| 297 | V | A | -0.0815 | |
| 298 | E | A | -0.5545 | |
| 299 | V | A | 0.7370 | |
| 300 | L | A | 0.4128 | |
| 301 | A | A | 0.4517 | |
| 302 | T | A | 0.2884 | |
| 303 | A | A | 0.0627 | |
| 304 | T | A | -0.2121 | |
| 305 | Q | A | -0.2593 | |
| 306 | I | A | 0.7358 | |
| 307 | T | A | 0.1428 | |
| 308 | Q | A | -0.6937 | |
| 309 | L | A | 0.0399 | |
| 310 | M | A | 0.2584 | |
| 311 | M | A | -0.2221 | |
| 312 | S | A | -0.7791 | |
| 313 | L | A | -0.4090 | |
| 314 | K | A | -1.6388 | |
| 315 | E | A | -2.2108 | |
| 316 | D | A | -1.6648 | |
| 317 | F | A | 0.1312 | |
| 318 | T | A | -0.9335 | |
| 319 | A | A | -0.6693 | |
| 320 | F | A | 0.4546 | |
| 321 | E | A | -1.4506 | |
| 322 | D | A | -2.1156 | |
| 323 | A | A | -0.9490 | |
| 324 | A | A | -1.0655 | |
| 325 | N | A | -2.2271 | |
| 326 | K | A | -2.1173 | |
| 327 | L | A | 0.1548 |
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