| Chain sequence(s) |
A: MAGGGGGEGKVACAAWIRRREEKEKATRVFAAYGRAGSPPAVEVLGFDSKECSLSEPLARAELGEEPGDAPRGITVHPSGDELVCATAKGCRLFKLIFEEFTVRLISRDAPPLESVGPQKCLAFSTDGSKFAIGGEDGHLRIFHWPSMNVLLDEPKAHKSFRDMDISLDSEFLVSTSTDGSARIWKIDEGVPLVNLTRSADEKIECCRFSRDGMKPFLFCTVAKGNKVVTVVWNISDWSRIGYKRLLGKPISTLSVSMDGKYLALGSHDGDFCAVDVKKMDVSHWSKKVHLGSPVSSIEFCPTERAVISTSHQWGAELTKLNVPADWKEWQVWLILLSLFLVSAILFYMFYERSDSFWNFPMGQHQPAKPWSVMKESPPVPEDQNPW
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LF334A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0661407 kcal/mol |
| 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] FoldX: Building mutant model (00:04:44)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:58)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:31)
[INFO] Main: Simulation completed successfully. (00:09:36)
|
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 | 0.8950 | |
| 2 | A | A | 0.1583 | |
| 3 | G | A | -0.5668 | |
| 4 | G | A | -0.9657 | |
| 5 | G | A | -1.4145 | |
| 6 | G | A | -1.7506 | |
| 7 | G | A | -2.0445 | |
| 8 | E | A | -2.7830 | |
| 9 | G | A | -2.1809 | |
| 10 | K | A | -2.4387 | |
| 11 | V | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | C | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | R | A | -1.9577 | |
| 19 | R | A | -2.9453 | |
| 20 | R | A | -4.5433 | |
| 21 | E | A | -4.8716 | |
| 22 | E | A | -4.6418 | |
| 23 | K | A | -4.3874 | |
| 24 | E | A | -4.5008 | |
| 25 | K | A | -4.4301 | |
| 26 | A | A | -3.2953 | |
| 27 | T | A | -3.1279 | |
| 28 | R | A | -3.3270 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | -0.5069 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | Y | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | R | A | -1.4904 | |
| 36 | A | A | -1.3068 | |
| 37 | G | A | -1.5160 | |
| 38 | S | A | -1.8309 | |
| 39 | P | A | -1.9052 | |
| 40 | P | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | E | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | G | A | -0.6796 | |
| 47 | F | A | -1.3580 | |
| 48 | D | A | -2.6876 | |
| 49 | S | A | -2.4705 | |
| 50 | K | A | -3.1282 | |
| 51 | E | A | -3.2085 | |
| 52 | C | A | -2.1487 | |
| 53 | S | A | -1.5375 | |
| 54 | L | A | -0.8413 | |
| 55 | S | A | -0.9790 | |
| 56 | E | A | -1.6723 | |
| 57 | P | A | -0.8801 | |
| 58 | L | A | -0.0540 | |
| 59 | A | A | 0.0000 | |
| 60 | R | A | -1.2964 | |
| 61 | A | A | -1.3868 | |
| 62 | E | A | -2.4354 | |
| 63 | L | A | 0.0000 | |
| 64 | G | A | -2.2199 | |
| 65 | E | A | -3.2276 | |
| 66 | E | A | -2.9452 | |
| 67 | P | A | -1.8047 | |
| 68 | G | A | -1.7000 | |
| 69 | D | A | 0.0000 | |
| 70 | A | A | -1.5495 | |
| 71 | P | A | 0.0000 | |
| 72 | R | A | -1.8864 | |
| 73 | G | A | -1.0361 | |
| 74 | I | A | -0.2620 | |
| 75 | T | A | 0.1883 | |
| 76 | V | A | 0.0090 | |
| 77 | H | A | -0.6024 | |
| 78 | P | A | -0.7803 | |
| 79 | S | A | -1.0391 | |
| 80 | G | A | 0.0000 | |
| 81 | D | A | -0.6033 | |
| 82 | E | A | -0.6710 | |
| 83 | L | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | C | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | A | A | -1.5360 | |
| 89 | K | A | -2.1290 | |
| 90 | G | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | R | A | -1.6612 | |
| 93 | L | A | -1.3782 | |
| 94 | F | A | 0.0000 | |
| 95 | K | A | -1.0153 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | -0.0818 | |
| 98 | F | A | -0.6005 | |
| 99 | E | A | -1.8886 | |
| 100 | E | A | -1.6519 | |
| 101 | F | A | 0.6568 | |
| 102 | T | A | -0.1612 | |
| 103 | V | A | 0.0000 | |
| 104 | R | A | -1.1776 | |
| 105 | L | A | -0.7657 | |
| 106 | I | A | -0.4421 | |
| 107 | S | A | -1.7020 | |
| 108 | R | A | -2.7356 | |
| 109 | D | A | -3.0753 | |
| 110 | A | A | 0.0000 | |
| 111 | P | A | -1.6031 | |
| 112 | P | A | -0.8557 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -2.6694 | |
| 115 | S | A | -1.4648 | |
| 116 | V | A | -1.2005 | |
| 117 | G | A | -1.7181 | |
| 118 | P | A | -1.8749 | |
| 119 | Q | A | 0.0000 | |
| 120 | K | A | -2.5955 | |
| 121 | C | A | 0.0000 | |
| 122 | L | A | -0.1820 | |
| 123 | A | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | T | A | -1.2373 | |
| 127 | D | A | -2.1454 | |
| 128 | G | A | -1.1540 | |
| 129 | S | A | -1.0283 | |
| 130 | K | A | -0.9393 | |
| 131 | F | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | E | A | -3.0960 | |
| 137 | D | A | -2.6396 | |
| 138 | G | A | 0.0000 | |
| 139 | H | A | -1.9913 | |
| 140 | L | A | 0.0000 | |
| 141 | R | A | -0.3663 | |
| 142 | I | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | H | A | -0.5850 | |
| 145 | W | A | 0.0000 | |
| 146 | P | A | -0.7288 | |
| 147 | S | A | -0.6396 | |
| 148 | M | A | -0.4266 | |
| 149 | N | A | -0.5504 | |
| 150 | V | A | 0.9448 | |
| 151 | L | A | -0.0135 | |
| 152 | L | A | -0.5188 | |
| 153 | D | A | -1.2588 | |
| 154 | E | A | -1.5866 | |
| 155 | P | A | -1.9287 | |
| 156 | K | A | -2.5424 | |
| 157 | A | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | K | A | -2.8060 | |
| 160 | S | A | -2.5409 | |
| 161 | F | A | 0.0000 | |
| 162 | R | A | -1.5868 | |
| 163 | D | A | -0.8608 | |
| 164 | M | A | 0.0000 | |
| 165 | D | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | L | A | -1.0556 | |
| 169 | D | A | -2.2861 | |
| 170 | S | A | 0.0000 | |
| 171 | E | A | -2.2396 | |
| 172 | F | A | -1.0580 | |
| 173 | L | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -1.2724 | |
| 179 | D | A | -1.1967 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | -1.3334 | |
| 182 | A | A | 0.0000 | |
| 183 | R | A | -0.7396 | |
| 184 | I | A | 0.0000 | |
| 185 | W | A | 0.0000 | |
| 186 | K | A | -1.2097 | |
| 187 | I | A | 0.0000 | |
| 188 | D | A | -2.7789 | |
| 189 | E | A | -2.5299 | |
| 190 | G | A | -1.2844 | |
| 191 | V | A | 0.0448 | |
| 192 | P | A | -0.0071 | |
| 193 | L | A | 0.4518 | |
| 194 | V | A | -0.0400 | |
| 195 | N | A | -1.3967 | |
| 196 | L | A | 0.0000 | |
| 197 | T | A | -1.7202 | |
| 198 | R | A | -2.4840 | |
| 199 | S | A | -1.8508 | |
| 200 | A | A | -1.6022 | |
| 201 | D | A | -2.6655 | |
| 202 | E | A | 0.0000 | |
| 203 | K | A | -2.0440 | |
| 204 | I | A | 0.0000 | |
| 205 | E | A | -0.9503 | |
| 206 | C | A | 0.0000 | |
| 207 | C | A | 0.0000 | |
| 208 | R | A | -0.3096 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | R | A | -1.0189 | |
| 212 | D | A | -1.0422 | |
| 213 | G | A | -0.8216 | |
| 214 | M | A | 0.2692 | |
| 215 | K | A | -0.5077 | |
| 216 | P | A | -0.4267 | |
| 217 | F | A | 0.1183 | |
| 218 | L | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | -1.8034 | |
| 224 | K | A | -2.5660 | |
| 225 | G | A | -2.2773 | |
| 226 | N | A | -2.2352 | |
| 227 | K | A | -2.2274 | |
| 228 | V | A | -1.7360 | |
| 229 | V | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | W | A | 0.0000 | |
| 234 | N | A | -0.5898 | |
| 235 | I | A | -0.6257 | |
| 236 | S | A | -0.9872 | |
| 237 | D | A | -1.9867 | |
| 238 | W | A | -0.8700 | |
| 239 | S | A | -0.9018 | |
| 240 | R | A | -0.5772 | |
| 241 | I | A | 1.1947 | |
| 242 | G | A | 0.5928 | |
| 243 | Y | A | 0.5100 | |
| 244 | K | A | -1.4203 | |
| 245 | R | A | -2.2778 | |
| 246 | L | A | -1.1615 | |
| 247 | L | A | 0.0000 | |
| 248 | G | A | -1.2934 | |
| 249 | K | A | -1.4745 | |
| 250 | P | A | -1.2731 | |
| 251 | I | A | 0.0000 | |
| 252 | S | A | -0.8405 | |
| 253 | T | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | M | A | -0.4448 | |
| 259 | D | A | -1.6068 | |
| 260 | G | A | 0.0000 | |
| 261 | K | A | -1.7453 | |
| 262 | Y | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | H | A | -1.5508 | |
| 269 | D | A | -1.7765 | |
| 270 | G | A | 0.0000 | |
| 271 | D | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | V | A | -1.7071 | |
| 278 | K | A | -2.8440 | |
| 279 | K | A | -3.0363 | |
| 280 | M | A | -2.2144 | |
| 281 | D | A | -2.6841 | |
| 282 | V | A | -0.7338 | |
| 283 | S | A | -0.7540 | |
| 284 | H | A | -0.5626 | |
| 285 | W | A | -0.3458 | |
| 286 | S | A | -1.2743 | |
| 287 | K | A | -2.2370 | |
| 288 | K | A | -2.0478 | |
| 289 | V | A | -0.8721 | |
| 290 | H | A | 0.0000 | |
| 291 | L | A | 0.0268 | |
| 292 | G | A | -0.6102 | |
| 293 | S | A | 0.0000 | |
| 294 | P | A | -0.9720 | |
| 295 | V | A | 0.0000 | |
| 296 | S | A | -0.8558 | |
| 297 | S | A | -0.3273 | |
| 298 | I | A | 0.0000 | |
| 299 | E | A | -0.2723 | |
| 300 | F | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | P | A | -0.6183 | |
| 303 | T | A | -0.7730 | |
| 304 | E | A | -1.2047 | |
| 305 | R | A | -1.2011 | |
| 306 | A | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | H | A | -1.7787 | |
| 313 | Q | A | -1.1870 | |
| 314 | W | A | 0.0521 | |
| 315 | G | A | 0.0000 | |
| 316 | A | A | -0.8138 | |
| 317 | E | A | -0.8271 | |
| 318 | L | A | -0.6331 | |
| 319 | T | A | -1.0701 | |
| 320 | K | A | -2.0815 | |
| 321 | L | A | 0.0000 | |
| 322 | N | A | -1.7145 | |
| 323 | V | A | 0.0000 | |
| 324 | P | A | -0.6053 | |
| 325 | A | A | -0.6023 | |
| 326 | D | A | -0.9711 | |
| 327 | W | A | -0.2358 | |
| 328 | K | A | -1.7766 | |
| 329 | E | A | -1.3979 | |
| 330 | W | A | 0.8461 | |
| 331 | Q | A | 0.4864 | |
| 332 | V | A | 1.3938 | |
| 333 | W | A | 2.6927 | |
| 334 | F | A | 3.3388 | mutated: LF334A |
| 335 | I | A | 3.2912 | |
| 336 | L | A | 4.0964 | |
| 337 | L | A | 3.8444 | |
| 338 | S | A | 3.5542 | |
| 339 | L | A | 4.6207 | |
| 340 | F | A | 4.7571 | |
| 341 | L | A | 4.3437 | |
| 342 | V | A | 4.7334 | |
| 343 | S | A | 3.7627 | |
| 344 | A | A | 3.9545 | |
| 345 | I | A | 4.9929 | |
| 346 | L | A | 4.1039 | |
| 347 | F | A | 4.2725 | |
| 348 | Y | A | 3.6587 | |
| 349 | M | A | 2.4067 | |
| 350 | F | A | 2.8467 | |
| 351 | Y | A | 1.8613 | |
| 352 | E | A | -1.0860 | |
| 353 | R | A | -1.2741 | |
| 354 | S | A | 0.0000 | |
| 355 | D | A | -1.5556 | |
| 356 | S | A | -0.5830 | |
| 357 | F | A | 1.6071 | |
| 358 | W | A | 1.2501 | |
| 359 | N | A | 0.4751 | |
| 360 | F | A | 2.0287 | |
| 361 | P | A | 0.7606 | |
| 362 | M | A | 0.4622 | |
| 363 | G | A | -0.6455 | |
| 364 | Q | A | -1.8480 | |
| 365 | H | A | -2.0781 | |
| 366 | Q | A | -2.1389 | |
| 367 | P | A | -1.6576 | |
| 368 | A | A | -1.2000 | |
| 369 | K | A | -1.7127 | |
| 370 | P | A | -0.2840 | |
| 371 | W | A | 1.1855 | |
| 372 | S | A | 0.8484 | |
| 373 | V | A | 1.7126 | |
| 374 | M | A | 0.6719 | |
| 375 | K | A | -1.7091 | |
| 376 | E | A | -2.2829 | |
| 377 | S | A | -1.3610 | |
| 378 | P | A | -0.7770 | |
| 379 | P | A | -0.0876 | |
| 380 | V | A | 0.7804 | |
| 381 | P | A | -0.9493 | |
| 382 | E | A | -2.8669 | |
| 383 | D | A | -3.4988 | |
| 384 | Q | A | -3.1331 | |
| 385 | N | A | -2.4124 | |
| 386 | P | A | -0.8091 | |
| 387 | W | A | 0.6172 |
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