| Chain sequence(s) |
A: MKAIQYTRIGAEPELTEIPKPEPGPGEVLLEVTAAGVCHSDDFIMSLPEEQYTYGLPLTLGHEGAGKVAAVGEGVEGLDIGTNVVVYGPWGCGNCWHCSQGLENYCSRAQELGINPPGLGAPGALAEFMIVDSPRHLVPIGDLDPVKTVPLTDAGLTPYHAIKRSLPKLRGGSYAVVIGTGGLGHVAIQLLRHLSAATVIALDVSADKLELATKVGAHEVVLSDKDAAENVRKITGSQGAALVLDFVGYQPTIDTAMAVAGVGSDVTIVGIGDGQAHAKVGFFQSPYEASVTVPYWGARNELIELIDLAHAGIFDIAVETFSLDNGAEAYRRLAAGTLSGRAVVVPGL
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 (00:02:57)
[INFO] Main: Simulation completed successfully. (00:02:59)
|
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 | -1.2156 | |
| 2 | K | A | -1.7111 | |
| 3 | A | A | 0.0000 | |
| 4 | I | A | 0.0000 | |
| 5 | Q | A | 0.0000 | |
| 6 | Y | A | 0.0000 | |
| 7 | T | A | -1.2430 | |
| 8 | R | A | -2.3403 | |
| 9 | I | A | -1.3783 | |
| 10 | G | A | -1.4478 | |
| 11 | A | A | -1.7378 | |
| 12 | E | A | -3.0151 | |
| 13 | P | A | 0.0000 | |
| 14 | E | A | -2.3122 | |
| 15 | L | A | -1.1353 | |
| 16 | T | A | -1.2413 | |
| 17 | E | A | -2.0416 | |
| 18 | I | A | -0.9540 | |
| 19 | P | A | -1.3287 | |
| 20 | K | A | -2.1031 | |
| 21 | P | A | -1.5042 | |
| 22 | E | A | -2.1772 | |
| 23 | P | A | -1.3838 | |
| 24 | G | A | -1.3210 | |
| 25 | P | A | -1.5689 | |
| 26 | G | A | -1.4174 | |
| 27 | E | A | -1.2983 | |
| 28 | V | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | E | A | -1.6879 | |
| 32 | V | A | 0.0000 | |
| 33 | T | A | -0.6060 | |
| 34 | A | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | C | A | 0.0000 | |
| 39 | H | A | -0.2004 | |
| 40 | S | A | -0.0355 | |
| 41 | D | A | 0.0000 | |
| 42 | D | A | -0.9789 | |
| 43 | F | A | -0.1008 | |
| 44 | I | A | 0.0000 | |
| 45 | M | A | 0.0000 | |
| 46 | S | A | -0.9194 | |
| 47 | L | A | -1.2028 | |
| 48 | P | A | -1.8826 | |
| 49 | E | A | -3.2607 | |
| 50 | E | A | -3.2520 | |
| 51 | Q | A | -2.5573 | |
| 52 | Y | A | -1.4466 | |
| 53 | T | A | -0.7720 | |
| 54 | Y | A | 0.0046 | |
| 55 | G | A | -0.1274 | |
| 56 | L | A | 0.1311 | |
| 57 | P | A | -0.2291 | |
| 58 | L | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | H | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | K | A | -1.1742 | |
| 68 | V | A | 0.0000 | |
| 69 | A | A | -0.1206 | |
| 70 | A | A | 0.0192 | |
| 71 | V | A | -0.3579 | |
| 72 | G | A | 0.0000 | |
| 73 | E | A | -2.3639 | |
| 74 | G | A | -1.8239 | |
| 75 | V | A | -1.7641 | |
| 76 | E | A | -2.4749 | |
| 77 | G | A | -1.6331 | |
| 78 | L | A | -0.9219 | |
| 79 | D | A | -1.1678 | |
| 80 | I | A | 1.0296 | |
| 81 | G | A | -0.1737 | |
| 82 | T | A | -0.6998 | |
| 83 | N | A | -1.3997 | |
| 84 | V | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | P | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | C | A | -0.7563 | |
| 93 | G | A | -0.9475 | |
| 94 | N | A | -1.4046 | |
| 95 | C | A | -0.4098 | |
| 96 | W | A | 0.5362 | |
| 97 | H | A | -0.2510 | |
| 98 | C | A | 0.0000 | |
| 99 | S | A | -0.8177 | |
| 100 | Q | A | -1.3876 | |
| 101 | G | A | -0.9783 | |
| 102 | L | A | -0.1353 | |
| 103 | E | A | 0.0000 | |
| 104 | N | A | 0.0000 | |
| 105 | Y | A | 0.6525 | |
| 106 | C | A | -0.2259 | |
| 107 | S | A | -0.8595 | |
| 108 | R | A | -1.8313 | |
| 109 | A | A | -1.1855 | |
| 110 | Q | A | -2.1036 | |
| 111 | E | A | -2.1771 | |
| 112 | L | A | -0.3498 | |
| 113 | G | A | -0.8649 | |
| 114 | I | A | -0.4553 | |
| 115 | N | A | -0.4731 | |
| 116 | P | A | -0.2237 | |
| 117 | P | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | L | A | -0.0835 | |
| 120 | G | A | -0.2105 | |
| 121 | A | A | -0.3166 | |
| 122 | P | A | -0.2517 | |
| 123 | G | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | -1.3076 | |
| 128 | F | A | -1.2067 | |
| 129 | M | A | 0.0000 | |
| 130 | I | A | -0.5684 | |
| 131 | V | A | 0.0000 | |
| 132 | D | A | -0.8010 | |
| 133 | S | A | -0.6401 | |
| 134 | P | A | -0.7705 | |
| 135 | R | A | -0.7728 | |
| 136 | H | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | 0.0263 | |
| 139 | P | A | -0.4455 | |
| 140 | I | A | 0.0000 | |
| 141 | G | A | -1.7086 | |
| 142 | D | A | -2.4569 | |
| 143 | L | A | -1.8839 | |
| 144 | D | A | -2.0495 | |
| 145 | P | A | -1.2239 | |
| 146 | V | A | -0.5391 | |
| 147 | K | A | -1.3742 | |
| 148 | T | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | D | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | Y | A | 0.0000 | |
| 160 | H | A | -0.3669 | |
| 161 | A | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | K | A | -0.9675 | |
| 164 | R | A | -1.2983 | |
| 165 | S | A | 0.0000 | |
| 166 | L | A | -0.7336 | |
| 167 | P | A | -1.1018 | |
| 168 | K | A | -1.4566 | |
| 169 | L | A | 0.0000 | |
| 170 | R | A | -2.3643 | |
| 171 | G | A | -1.6289 | |
| 172 | G | A | -1.2495 | |
| 173 | S | A | 0.0000 | |
| 174 | Y | A | -0.4244 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | G | A | 0.3114 | |
| 180 | T | A | 0.0000 | |
| 181 | G | A | -0.2747 | |
| 182 | G | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | H | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | R | A | -1.9153 | |
| 193 | H | A | -1.0510 | |
| 194 | L | A | -0.3883 | |
| 195 | S | A | -1.0143 | |
| 196 | A | A | -1.2110 | |
| 197 | A | A | 0.0000 | |
| 198 | T | A | -0.9275 | |
| 199 | V | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | D | A | 0.0000 | |
| 204 | V | A | 1.5158 | |
| 205 | S | A | -0.0366 | |
| 206 | A | A | -0.7305 | |
| 207 | D | A | -2.3934 | |
| 208 | K | A | -1.5173 | |
| 209 | L | A | -1.1450 | |
| 210 | E | A | -2.8686 | |
| 211 | L | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | T | A | -1.9224 | |
| 214 | K | A | -2.5662 | |
| 215 | V | A | 0.0000 | |
| 216 | G | A | -1.6073 | |
| 217 | A | A | 0.0000 | |
| 218 | H | A | -1.5544 | |
| 219 | E | A | -0.7904 | |
| 220 | V | A | 0.1734 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.8644 | |
| 223 | S | A | -0.0922 | |
| 224 | D | A | -1.9871 | |
| 225 | K | A | -3.3529 | |
| 226 | D | A | -3.5277 | |
| 227 | A | A | 0.0000 | |
| 228 | A | A | -2.4151 | |
| 229 | E | A | -3.4276 | |
| 230 | N | A | -2.5304 | |
| 231 | V | A | 0.0000 | |
| 232 | R | A | -2.2634 | |
| 233 | K | A | -2.4316 | |
| 234 | I | A | -1.1272 | |
| 235 | T | A | 0.0000 | |
| 236 | G | A | -1.5745 | |
| 237 | S | A | -1.0037 | |
| 238 | Q | A | -1.0771 | |
| 239 | G | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | A | A | -0.2827 | |
| 242 | L | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | V | A | 0.6867 | |
| 248 | G | A | 0.0000 | |
| 249 | Y | A | -0.0695 | |
| 250 | Q | A | -1.0367 | |
| 251 | P | A | -0.8787 | |
| 252 | T | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | D | A | -1.4545 | |
| 255 | T | A | -1.4047 | |
| 256 | A | A | 0.0000 | |
| 257 | M | A | -0.4065 | |
| 258 | A | A | -0.6785 | |
| 259 | V | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | V | A | 1.3564 | |
| 263 | G | A | 0.1625 | |
| 264 | S | A | 0.0000 | |
| 265 | D | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | V | A | 1.1323 | |
| 270 | G | A | 0.8342 | |
| 271 | I | A | 0.8291 | |
| 272 | G | A | -0.3030 | |
| 273 | D | A | -1.8794 | |
| 274 | G | A | -1.6117 | |
| 275 | Q | A | -2.0396 | |
| 276 | A | A | -1.5101 | |
| 277 | H | A | -1.6402 | |
| 278 | A | A | -1.1895 | |
| 279 | K | A | -1.1204 | |
| 280 | V | A | 1.2318 | |
| 281 | G | A | 1.2599 | |
| 282 | F | A | 2.7678 | |
| 283 | F | A | 2.4584 | |
| 284 | Q | A | 0.4628 | |
| 285 | S | A | 0.8849 | |
| 286 | P | A | 1.3874 | |
| 287 | Y | A | 1.5710 | |
| 288 | E | A | -0.7704 | |
| 289 | A | A | 0.2713 | |
| 290 | S | A | 0.1527 | |
| 291 | V | A | 0.6033 | |
| 292 | T | A | 1.1119 | |
| 293 | V | A | 2.1828 | |
| 294 | P | A | 0.0000 | |
| 295 | Y | A | 1.2965 | |
| 296 | W | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | R | A | -0.7364 | |
| 300 | N | A | -0.7982 | |
| 301 | E | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | I | A | 0.3347 | |
| 304 | E | A | -0.7151 | |
| 305 | L | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | D | A | -1.7623 | |
| 308 | L | A | -0.7911 | |
| 309 | A | A | -1.1136 | |
| 310 | H | A | -1.5592 | |
| 311 | A | A | -0.6956 | |
| 312 | G | A | -0.7966 | |
| 313 | I | A | -0.4702 | |
| 314 | F | A | -0.7063 | |
| 315 | D | A | -1.9130 | |
| 316 | I | A | 0.0000 | |
| 317 | A | A | -0.5584 | |
| 318 | V | A | -0.2534 | |
| 319 | E | A | -0.3063 | |
| 320 | T | A | 0.0581 | |
| 321 | F | A | 0.0000 | |
| 322 | S | A | -0.6865 | |
| 323 | L | A | 0.0000 | |
| 324 | D | A | -2.4865 | |
| 325 | N | A | -2.6075 | |
| 326 | G | A | 0.0000 | |
| 327 | A | A | -2.4931 | |
| 328 | E | A | -3.2700 | |
| 329 | A | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | R | A | -2.9311 | |
| 332 | R | A | -1.7437 | |
| 333 | L | A | -1.1188 | |
| 334 | A | A | -1.0052 | |
| 335 | A | A | -0.7203 | |
| 336 | G | A | -0.7854 | |
| 337 | T | A | -0.6355 | |
| 338 | L | A | 0.0000 | |
| 339 | S | A | -0.6859 | |
| 340 | G | A | -0.1800 | |
| 341 | R | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | V | A | 0.1569 | |
| 346 | P | A | -0.5532 | |
| 347 | G | A | 0.0613 | |
| 348 | L | A | 1.1526 |
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