| Chain sequence(s) |
A: AKHLFTSESVSEGHPDKIADQISDAVLDAILEQDPKARVACETYVKTGMVLVGGEITTSAWVDIEEITRNTVREIGYVHSDMGFDANSCAVLSAIGKQSPDINQGVDRADPLEQGAGDQGLMFGYATNETDVLMPAPITYAHRLVQRQAEVRKNGTLPWLRPDAKSQVTFQYDDGKIVGIDAVVLSTQHSEEIDQKSLQEAVMEEIIKPILPAEWLTSATKFFINPTGRFVIGGPMGDCGLTGRKIIVDTYGGMARHGGGAFSGKDPSKVDRSAAYAARYVAKNIVAAGLADRCEIQVSYAIGVAEPTSIMVETFGTEKVPSEQLTLLVREFFDLRPYGLIQMLDLLHPIYKETAAYGHFGREHFPWEKTDKAQLLRDAAGLKGSHHHHHH
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LA51A,IA350A,FA223A,LA92A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.07701 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] (00:00:01)
[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 (00:10:47)
[INFO] FoldX: Starting FoldX energy minimalization (00:11:08)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:17:43)
[INFO] Main: Simulation completed successfully. (00:17:47)
|
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 | A | A | -2.1913 | |
| 2 | K | A | -2.6616 | |
| 3 | H | A | -1.4439 | |
| 4 | L | A | 0.2374 | |
| 5 | F | A | 0.6106 | |
| 6 | T | A | 0.0807 | |
| 7 | S | A | 0.0000 | |
| 8 | E | A | -0.8979 | |
| 9 | S | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | E | A | -1.1526 | |
| 13 | G | A | 0.0000 | |
| 14 | H | A | 0.0000 | |
| 15 | P | A | 0.0000 | |
| 16 | D | A | -0.7536 | |
| 17 | K | A | 0.0000 | |
| 18 | I | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | D | A | 0.0000 | |
| 21 | Q | A | -0.8093 | |
| 22 | I | A | 0.0000 | |
| 23 | S | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | D | A | 0.0000 | |
| 29 | A | A | -1.1249 | |
| 30 | I | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | E | A | -3.0486 | |
| 33 | Q | A | -2.4347 | |
| 34 | D | A | -2.6600 | |
| 35 | P | A | -2.3358 | |
| 36 | K | A | -2.4505 | |
| 37 | A | A | 0.0000 | |
| 38 | R | A | -1.4758 | |
| 39 | V | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | C | A | 0.0000 | |
| 42 | E | A | -1.2244 | |
| 43 | T | A | 0.0000 | |
| 44 | Y | A | 0.9039 | |
| 45 | V | A | 0.0000 | |
| 46 | K | A | -1.4622 | |
| 47 | T | A | -0.9795 | |
| 48 | G | A | -0.4254 | |
| 49 | M | A | 0.0416 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.1432 | mutated: LA51A |
| 52 | V | A | 0.0000 | |
| 53 | G | A | -0.4525 | |
| 54 | G | A | -1.4327 | |
| 55 | E | A | -2.4497 | |
| 56 | I | A | 0.0000 | |
| 57 | T | A | -1.2847 | |
| 58 | T | A | -1.0948 | |
| 59 | S | A | -0.6178 | |
| 60 | A | A | -0.4776 | |
| 61 | W | A | 0.6399 | |
| 62 | V | A | -0.4723 | |
| 63 | D | A | -2.0047 | |
| 64 | I | A | -1.4798 | |
| 65 | E | A | -2.5783 | |
| 66 | E | A | -3.0653 | |
| 67 | I | A | -1.5365 | |
| 68 | T | A | 0.0000 | |
| 69 | R | A | -2.5623 | |
| 70 | N | A | -2.6076 | |
| 71 | T | A | -2.0038 | |
| 72 | V | A | 0.0000 | |
| 73 | R | A | -2.9936 | |
| 74 | E | A | -3.0572 | |
| 75 | I | A | -1.8760 | |
| 76 | G | A | -1.8134 | |
| 77 | Y | A | 0.0000 | |
| 78 | V | A | -1.3104 | |
| 79 | H | A | -1.8939 | |
| 80 | S | A | -1.6886 | |
| 81 | D | A | -2.3194 | |
| 82 | M | A | -0.9502 | |
| 83 | G | A | -0.5371 | |
| 84 | F | A | 0.0000 | |
| 85 | D | A | -1.4530 | |
| 86 | A | A | 0.0000 | |
| 87 | N | A | -1.9351 | |
| 88 | S | A | -0.8408 | |
| 89 | C | A | -0.6044 | |
| 90 | A | A | -0.3378 | |
| 91 | V | A | -0.3247 | |
| 92 | A | A | 0.1874 | mutated: LA92A |
| 93 | S | A | -0.0476 | |
| 94 | A | A | -0.0851 | |
| 95 | I | A | -0.2800 | |
| 96 | G | A | -1.3596 | |
| 97 | K | A | -2.3864 | |
| 98 | Q | A | 0.0000 | |
| 99 | S | A | -1.5738 | |
| 100 | P | A | -1.5943 | |
| 101 | D | A | -2.1474 | |
| 102 | I | A | -0.9000 | |
| 103 | N | A | -1.4672 | |
| 104 | Q | A | -2.1712 | |
| 105 | G | A | -1.3335 | |
| 106 | V | A | 0.0000 | |
| 107 | D | A | -1.8250 | |
| 108 | R | A | -2.0782 | |
| 109 | A | A | -1.4216 | |
| 110 | D | A | -1.9269 | |
| 111 | P | A | -0.8605 | |
| 112 | L | A | -0.0592 | |
| 113 | E | A | -2.0480 | |
| 114 | Q | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | D | A | -1.4750 | |
| 119 | Q | A | -1.4902 | |
| 120 | G | A | -1.0392 | |
| 121 | L | A | -0.2875 | |
| 122 | M | A | 0.0000 | |
| 123 | F | A | -0.5095 | |
| 124 | G | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | N | A | -1.8019 | |
| 129 | E | A | -1.9213 | |
| 130 | T | A | -1.3761 | |
| 131 | D | A | -1.9086 | |
| 132 | V | A | -0.9893 | |
| 133 | L | A | 0.0000 | |
| 134 | M | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | P | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | T | A | -0.1137 | |
| 140 | Y | A | -0.3313 | |
| 141 | A | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | R | A | -1.2632 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | Q | A | -2.3100 | |
| 147 | R | A | -2.6789 | |
| 148 | Q | A | 0.0000 | |
| 149 | A | A | -2.4681 | |
| 150 | E | A | -3.3261 | |
| 151 | V | A | -2.2133 | |
| 152 | R | A | 0.0000 | |
| 153 | K | A | -3.3378 | |
| 154 | N | A | -2.5849 | |
| 155 | G | A | -1.4551 | |
| 156 | T | A | -1.0085 | |
| 157 | L | A | -0.6617 | |
| 158 | P | A | -0.6321 | |
| 159 | W | A | -0.4243 | |
| 160 | L | A | 0.0000 | |
| 161 | R | A | -0.8364 | |
| 162 | P | A | 0.0000 | |
| 163 | D | A | -0.4934 | |
| 164 | A | A | 0.0000 | |
| 165 | K | A | -1.1361 | |
| 166 | S | A | 0.0000 | |
| 167 | Q | A | -0.7914 | |
| 168 | V | A | 0.0000 | |
| 169 | T | A | -0.1155 | |
| 170 | F | A | 0.0000 | |
| 171 | Q | A | -0.2487 | |
| 172 | Y | A | -1.4581 | |
| 173 | D | A | -2.8771 | |
| 174 | D | A | -3.1310 | |
| 175 | G | A | -2.3273 | |
| 176 | K | A | -2.3437 | |
| 177 | I | A | -0.2923 | |
| 178 | V | A | 0.4751 | |
| 179 | G | A | 0.3403 | |
| 180 | I | A | 0.0000 | |
| 181 | D | A | -0.2690 | |
| 182 | A | A | -0.3670 | |
| 183 | V | A | 0.0000 | |
| 184 | V | A | -0.0910 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -0.4168 | |
| 187 | T | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | H | A | 0.0000 | |
| 190 | S | A | -1.5521 | |
| 191 | E | A | -2.8172 | |
| 192 | E | A | -2.7861 | |
| 193 | I | A | -2.1267 | |
| 194 | D | A | -3.3756 | |
| 195 | Q | A | -3.0890 | |
| 196 | K | A | -3.0657 | |
| 197 | S | A | -2.5116 | |
| 198 | L | A | 0.0000 | |
| 199 | Q | A | -2.3680 | |
| 200 | E | A | -3.2473 | |
| 201 | A | A | -2.1728 | |
| 202 | V | A | 0.0000 | |
| 203 | M | A | -1.9810 | |
| 204 | E | A | -3.0575 | |
| 205 | E | A | -2.2599 | |
| 206 | I | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -2.0581 | |
| 209 | P | A | -1.5675 | |
| 210 | I | A | -0.8403 | |
| 211 | L | A | 0.0000 | |
| 212 | P | A | -0.7701 | |
| 213 | A | A | -1.0082 | |
| 214 | E | A | -1.4703 | |
| 215 | W | A | -0.2587 | |
| 216 | L | A | -0.6127 | |
| 217 | T | A | -0.6715 | |
| 218 | S | A | -0.4837 | |
| 219 | A | A | -0.4478 | |
| 220 | T | A | -0.7102 | |
| 221 | K | A | -1.2748 | |
| 222 | F | A | 0.1395 | |
| 223 | A | A | 0.0328 | mutated: FA223A |
| 224 | I | A | 0.0000 | |
| 225 | N | A | 0.0000 | |
| 226 | P | A | -0.4625 | |
| 227 | T | A | -0.6933 | |
| 228 | G | A | -1.4221 | |
| 229 | R | A | -1.6033 | |
| 230 | F | A | 0.3548 | |
| 231 | V | A | 0.6888 | |
| 232 | I | A | 1.8014 | |
| 233 | G | A | 0.6774 | |
| 234 | G | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | M | A | 0.1389 | |
| 237 | G | A | -0.5886 | |
| 238 | D | A | -2.0553 | |
| 239 | C | A | -0.8088 | |
| 240 | G | A | 0.0000 | |
| 241 | L | A | -0.2456 | |
| 242 | T | A | 0.0000 | |
| 243 | G | A | -1.3216 | |
| 244 | R | A | -1.8752 | |
| 245 | K | A | -1.0028 | |
| 246 | I | A | -0.4886 | |
| 247 | I | A | -0.1508 | |
| 248 | V | A | 0.0072 | |
| 249 | D | A | 0.0000 | |
| 250 | T | A | 0.0042 | |
| 251 | Y | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | G | A | -0.2680 | |
| 254 | M | A | -0.1077 | |
| 255 | A | A | 0.0000 | |
| 256 | R | A | -2.2117 | |
| 257 | H | A | -1.5831 | |
| 258 | G | A | -1.0876 | |
| 259 | G | A | -0.9596 | |
| 260 | G | A | -0.8646 | |
| 261 | A | A | -0.7846 | |
| 262 | F | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | K | A | -0.8100 | |
| 266 | D | A | 0.0000 | |
| 267 | P | A | 0.0000 | |
| 268 | S | A | -0.6453 | |
| 269 | K | A | -1.0267 | |
| 270 | V | A | 0.0000 | |
| 271 | D | A | -0.9601 | |
| 272 | R | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | A | A | -0.0724 | |
| 276 | Y | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | Y | A | -0.4464 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | K | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | A | A | -1.0542 | |
| 288 | A | A | 0.0000 | |
| 289 | G | A | -1.6535 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | D | A | -2.0075 | |
| 293 | R | A | -1.1809 | |
| 294 | C | A | 0.0000 | |
| 295 | E | A | -0.6694 | |
| 296 | I | A | 0.0000 | |
| 297 | Q | A | -0.2821 | |
| 298 | V | A | 0.0000 | |
| 299 | S | A | -0.3907 | |
| 300 | Y | A | 0.0000 | |
| 301 | A | A | -0.5295 | |
| 302 | I | A | -0.0723 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | -0.1475 | |
| 305 | A | A | -0.8374 | |
| 306 | E | A | -2.1715 | |
| 307 | P | A | -1.0079 | |
| 308 | T | A | -0.5264 | |
| 309 | S | A | -0.1926 | |
| 310 | I | A | 0.2447 | |
| 311 | M | A | 0.1212 | |
| 312 | V | A | 0.0172 | |
| 313 | E | A | -0.5311 | |
| 314 | T | A | -0.3563 | |
| 315 | F | A | 1.0769 | |
| 316 | G | A | -0.2464 | |
| 317 | T | A | -0.7307 | |
| 318 | E | A | -1.4179 | |
| 319 | K | A | -2.2594 | |
| 320 | V | A | -1.4041 | |
| 321 | P | A | -1.5060 | |
| 322 | S | A | -1.5683 | |
| 323 | E | A | -1.9781 | |
| 324 | Q | A | -1.9022 | |
| 325 | L | A | 0.0000 | |
| 326 | T | A | -0.8575 | |
| 327 | L | A | -0.3556 | |
| 328 | L | A | -0.5218 | |
| 329 | V | A | 0.0000 | |
| 330 | R | A | -2.1243 | |
| 331 | E | A | -2.0461 | |
| 332 | F | A | -0.6351 | |
| 333 | F | A | -0.8918 | |
| 334 | D | A | -1.5540 | |
| 335 | L | A | 0.0000 | |
| 336 | R | A | -1.4880 | |
| 337 | P | A | 0.0000 | |
| 338 | Y | A | 0.0214 | |
| 339 | G | A | -0.5487 | |
| 340 | L | A | 0.0000 | |
| 341 | I | A | -0.5093 | |
| 342 | Q | A | -1.2117 | |
| 343 | M | A | -0.1073 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | -1.8631 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | -1.3671 | |
| 348 | H | A | -1.8213 | |
| 349 | P | A | -1.4793 | |
| 350 | A | A | -0.9610 | mutated: IA350A |
| 351 | Y | A | 0.0000 | |
| 352 | K | A | -1.5945 | |
| 353 | E | A | -2.1375 | |
| 354 | T | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | Y | A | -0.5825 | |
| 358 | G | A | 0.0000 | |
| 359 | H | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | G | A | -1.1253 | |
| 362 | R | A | -1.7836 | |
| 363 | E | A | -2.8821 | |
| 364 | H | A | -2.3911 | |
| 365 | F | A | -1.6006 | |
| 366 | P | A | -1.5488 | |
| 367 | W | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | K | A | -3.0699 | |
| 370 | T | A | -2.3754 | |
| 371 | D | A | -2.6076 | |
| 372 | K | A | -1.7438 | |
| 373 | A | A | 0.0000 | |
| 374 | Q | A | -1.5027 | |
| 375 | L | A | -0.1857 | |
| 376 | L | A | 0.0000 | |
| 377 | R | A | 0.0000 | |
| 378 | D | A | -2.0751 | |
| 379 | A | A | -0.7688 | |
| 380 | A | A | -1.0399 | |
| 381 | G | A | -1.2988 | |
| 382 | L | A | -1.7423 | |
| 383 | K | A | -2.2986 | |
| 384 | G | A | -1.6096 | |
| 385 | S | A | -1.8994 | |
| 386 | H | A | -2.4103 | |
| 387 | H | A | -2.2787 | |
| 388 | H | A | -2.5934 | |
| 389 | H | A | -2.4973 | |
| 390 | H | A | -2.5120 | |
| 391 | H | A | -2.2394 |
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