| 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 |
| Mutated residues | YV54A,LR56A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 5.18763 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 (00:01:29)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:49)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:22)
[INFO] Main: Simulation completed successfully. (00:03:24)
|
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 | -1.1928 | |
| 2 | K | A | -1.6847 | |
| 3 | A | A | 0.0000 | |
| 4 | I | A | 0.0000 | |
| 5 | Q | A | 0.0000 | |
| 6 | Y | A | 0.0000 | |
| 7 | T | A | -1.9605 | |
| 8 | R | A | -2.8513 | |
| 9 | I | A | -1.7172 | |
| 10 | G | A | -1.4380 | |
| 11 | A | A | -1.7477 | |
| 12 | E | A | -3.0125 | |
| 13 | P | A | 0.0000 | |
| 14 | E | A | -2.2912 | |
| 15 | L | A | -1.1364 | |
| 16 | T | A | -1.2325 | |
| 17 | E | A | -2.0215 | |
| 18 | I | A | -0.9325 | |
| 19 | P | A | -1.2985 | |
| 20 | K | A | -2.0540 | |
| 21 | P | A | -1.4770 | |
| 22 | E | A | -2.1631 | |
| 23 | P | A | -1.3859 | |
| 24 | G | A | -1.3199 | |
| 25 | P | A | -1.5735 | |
| 26 | G | A | -1.4301 | |
| 27 | E | A | -1.3173 | |
| 28 | V | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | E | A | -1.7133 | |
| 32 | V | A | 0.0000 | |
| 33 | T | A | -0.6042 | |
| 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 | -0.1602 | |
| 40 | S | A | 0.0476 | |
| 41 | D | A | 0.0000 | |
| 42 | D | A | -0.8877 | |
| 43 | F | A | 0.0589 | |
| 44 | I | A | 0.2278 | |
| 45 | M | A | 0.0000 | |
| 46 | S | A | -0.8190 | |
| 47 | L | A | -1.0786 | |
| 48 | P | A | -1.8368 | |
| 49 | E | A | -3.2585 | |
| 50 | E | A | -3.2424 | |
| 51 | Q | A | -2.5227 | |
| 52 | Y | A | -1.6735 | |
| 53 | T | A | -1.0610 | |
| 54 | V | A | -0.5298 | mutated: YV54A |
| 55 | G | A | -1.2521 | |
| 56 | R | A | -2.1494 | mutated: LR56A |
| 57 | P | A | -1.6036 | |
| 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 | -1.2148 | |
| 68 | V | A | 0.0000 | |
| 69 | A | A | -0.1883 | |
| 70 | A | A | -0.0373 | |
| 71 | V | A | -0.3962 | |
| 72 | G | A | 0.0000 | |
| 73 | E | A | -2.3635 | |
| 74 | G | A | -1.8236 | |
| 75 | V | A | -1.7615 | |
| 76 | E | A | -2.4715 | |
| 77 | G | A | -1.6284 | |
| 78 | L | A | -0.9595 | |
| 79 | D | A | -1.2659 | |
| 80 | I | A | 0.8212 | |
| 81 | G | A | -0.2795 | |
| 82 | T | A | -0.7603 | |
| 83 | N | A | -1.4080 | |
| 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 | -0.7591 | |
| 93 | G | A | -0.9520 | |
| 94 | N | A | -1.4050 | |
| 95 | C | A | -0.4097 | |
| 96 | W | A | 0.5396 | |
| 97 | H | A | -0.2459 | |
| 98 | C | A | 0.0000 | |
| 99 | S | A | -0.8154 | |
| 100 | Q | A | -1.3866 | |
| 101 | G | A | -0.9817 | |
| 102 | L | A | -0.1415 | |
| 103 | E | A | 0.0000 | |
| 104 | N | A | 0.0000 | |
| 105 | Y | A | 0.6445 | |
| 106 | C | A | -0.2311 | |
| 107 | S | A | -0.8651 | |
| 108 | R | A | -1.8435 | |
| 109 | A | A | -1.2155 | |
| 110 | Q | A | -2.1283 | |
| 111 | E | A | -2.1836 | |
| 112 | L | A | -0.3723 | |
| 113 | G | A | -0.8981 | |
| 114 | I | A | -0.5145 | |
| 115 | N | A | -0.5833 | |
| 116 | P | A | -0.2748 | |
| 117 | P | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | L | A | -0.0633 | |
| 120 | G | A | -0.5782 | |
| 121 | A | A | -0.3603 | |
| 122 | P | A | -0.2651 | |
| 123 | G | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | -1.3407 | |
| 128 | F | A | -1.2187 | |
| 129 | M | A | 0.0000 | |
| 130 | I | A | -0.5642 | |
| 131 | V | A | 0.0000 | |
| 132 | D | A | -0.8426 | |
| 133 | S | A | -0.6646 | |
| 134 | P | A | -0.7813 | |
| 135 | R | A | -0.7882 | |
| 136 | H | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | 0.0275 | |
| 139 | P | A | -0.4315 | |
| 140 | I | A | 0.0000 | |
| 141 | G | A | -1.6793 | |
| 142 | D | A | -2.4099 | |
| 143 | L | A | -1.7832 | |
| 144 | D | A | -1.9017 | |
| 145 | P | A | -1.1453 | |
| 146 | V | A | -0.4792 | |
| 147 | K | A | -1.2918 | |
| 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 | -0.3502 | |
| 161 | A | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | K | A | -0.9310 | |
| 164 | R | A | -1.2283 | |
| 165 | S | A | 0.0000 | |
| 166 | L | A | -0.7018 | |
| 167 | P | A | -1.0717 | |
| 168 | K | A | -1.4122 | |
| 169 | L | A | 0.0000 | |
| 170 | R | A | -2.3533 | |
| 171 | G | A | -1.6245 | |
| 172 | G | A | -1.2495 | |
| 173 | S | A | 0.0000 | |
| 174 | Y | A | -0.4198 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | G | A | 0.3121 | |
| 180 | T | A | 0.0000 | |
| 181 | G | A | -0.2719 | |
| 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 | -2.0744 | |
| 193 | H | A | -1.1276 | |
| 194 | L | A | -0.4346 | |
| 195 | S | A | -1.0567 | |
| 196 | A | A | -1.2411 | |
| 197 | A | A | 0.0000 | |
| 198 | T | A | -0.9466 | |
| 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 | 1.3249 | |
| 205 | S | A | -0.1488 | |
| 206 | A | A | -0.8198 | |
| 207 | D | A | -2.3888 | |
| 208 | K | A | -1.5732 | |
| 209 | L | A | -1.2345 | |
| 210 | E | A | -2.8647 | |
| 211 | L | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | T | A | -1.9140 | |
| 214 | K | A | -2.5603 | |
| 215 | V | A | 0.0000 | |
| 216 | G | A | -1.6281 | |
| 217 | A | A | -1.3905 | |
| 218 | H | A | -1.5548 | |
| 219 | E | A | -0.7773 | |
| 220 | V | A | 0.0559 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.4675 | |
| 223 | S | A | -0.2124 | |
| 224 | D | A | -1.9114 | |
| 225 | K | A | -2.9266 | |
| 226 | D | A | -2.4833 | |
| 227 | A | A | 0.0000 | |
| 228 | A | A | -2.1337 | |
| 229 | E | A | -3.0254 | |
| 230 | N | A | -2.2582 | |
| 231 | V | A | 0.0000 | |
| 232 | R | A | -2.2432 | |
| 233 | K | A | -2.4101 | |
| 234 | I | A | -1.1119 | |
| 235 | T | A | 0.0000 | |
| 236 | G | A | -1.5680 | |
| 237 | S | A | -1.0037 | |
| 238 | Q | A | -1.0771 | |
| 239 | G | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | A | A | -0.2749 | |
| 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 | 0.7005 | |
| 248 | G | A | 0.0000 | |
| 249 | Y | A | -0.0657 | |
| 250 | Q | A | -1.0496 | |
| 251 | P | A | -0.9110 | |
| 252 | T | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | D | A | -1.4937 | |
| 255 | T | A | -1.3019 | |
| 256 | A | A | 0.0000 | |
| 257 | M | A | -0.4189 | |
| 258 | A | A | -0.6889 | |
| 259 | V | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | V | A | 1.3529 | |
| 263 | G | A | 0.1604 | |
| 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 | 1.1526 | |
| 270 | G | A | 0.8629 | |
| 271 | I | A | 0.9141 | |
| 272 | G | A | -0.2708 | |
| 273 | D | A | -1.8552 | |
| 274 | G | A | -1.5877 | |
| 275 | Q | A | -2.0335 | |
| 276 | A | A | -1.5080 | |
| 277 | H | A | -1.6461 | |
| 278 | A | A | -1.1988 | |
| 279 | K | A | -1.1291 | |
| 280 | V | A | 1.2266 | |
| 281 | G | A | 1.2452 | |
| 282 | F | A | 2.7607 | |
| 283 | F | A | 2.4546 | |
| 284 | Q | A | 0.4577 | |
| 285 | S | A | 0.8821 | |
| 286 | P | A | 1.3846 | |
| 287 | Y | A | 1.5677 | |
| 288 | E | A | -0.7733 | |
| 289 | A | A | 0.2707 | |
| 290 | S | A | 0.1599 | |
| 291 | V | A | 0.6105 | |
| 292 | T | A | 1.1156 | |
| 293 | V | A | 2.1916 | |
| 294 | P | A | 0.0000 | |
| 295 | Y | A | 1.2968 | |
| 296 | W | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | R | A | -0.7518 | |
| 300 | N | A | -0.8108 | |
| 301 | E | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | I | A | 0.3118 | |
| 304 | E | A | -0.7299 | |
| 305 | L | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | D | A | -1.7676 | |
| 308 | L | A | -0.7930 | |
| 309 | A | A | -1.0907 | |
| 310 | H | A | -1.5479 | |
| 311 | A | A | -0.6932 | |
| 312 | G | A | -0.7906 | |
| 313 | I | A | -0.4846 | |
| 314 | F | A | -0.6988 | |
| 315 | D | A | -1.9062 | |
| 316 | I | A | 0.0000 | |
| 317 | A | A | -0.5534 | |
| 318 | V | A | -0.2497 | |
| 319 | E | A | -0.3125 | |
| 320 | T | A | 0.0528 | |
| 321 | F | A | 0.0000 | |
| 322 | S | A | -0.6861 | |
| 323 | L | A | 0.0000 | |
| 324 | D | A | -2.4822 | |
| 325 | N | A | -2.6053 | |
| 326 | G | A | 0.0000 | |
| 327 | A | A | -2.4811 | |
| 328 | E | A | -3.2497 | |
| 329 | A | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | R | A | -2.9119 | |
| 332 | R | A | -1.7096 | |
| 333 | L | A | -1.0943 | |
| 334 | A | A | -0.9882 | |
| 335 | A | A | -0.7072 | |
| 336 | G | A | -0.7722 | |
| 337 | T | A | -0.6237 | |
| 338 | L | A | 0.0000 | |
| 339 | S | A | -0.6825 | |
| 340 | G | A | -0.1805 | |
| 341 | R | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | V | A | 0.1486 | |
| 346 | P | A | -0.5649 | |
| 347 | G | A | 0.0515 | |
| 348 | L | A | 1.1520 |
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