| Chain sequence(s) |
A: MDPQGDAAQKTDTSHHDQDHPTFNKITPNLAEFAFSLYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTHDEILEGLNFNLTEIPEAQIHEGFQELLRTLNQPDSQLQLTTGNGLFLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQINDYVEKGTQGKIVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTVKVPMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIITKFLENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTEEAPLKLSKAVHKAVLTIDEKGTEAAGAMFLEAIPMSIPPEVKFNKPFVFLMIEQNTKSPLFMGKVVNPTQK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | EG342A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.12863 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 (00:06:11)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:23)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:54)
[INFO] Main: Simulation completed successfully. (00:08:56)
|
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 | 0.1065 | |
| 2 | D | A | -1.5838 | |
| 3 | P | A | -1.4825 | |
| 4 | Q | A | -2.1105 | |
| 5 | G | A | -1.8553 | |
| 6 | D | A | -2.1695 | |
| 7 | A | A | -0.8328 | |
| 8 | A | A | -0.7397 | |
| 9 | Q | A | -1.7856 | |
| 10 | K | A | -2.3549 | |
| 11 | T | A | -1.5523 | |
| 12 | D | A | -2.0579 | |
| 13 | T | A | -0.9143 | |
| 14 | S | A | -0.7896 | |
| 15 | H | A | -1.4222 | |
| 16 | H | A | -1.9280 | |
| 17 | D | A | -2.5311 | |
| 18 | Q | A | -2.4008 | |
| 19 | D | A | -2.4897 | |
| 20 | H | A | -1.6343 | |
| 21 | P | A | -0.4140 | |
| 22 | T | A | 0.1271 | |
| 23 | F | A | 0.3126 | |
| 24 | N | A | 0.0000 | |
| 25 | K | A | -1.4014 | |
| 26 | I | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | P | A | -1.2479 | |
| 29 | N | A | -1.6080 | |
| 30 | L | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | E | A | -2.1394 | |
| 33 | F | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | S | A | -0.9280 | |
| 37 | L | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | R | A | -1.2179 | |
| 40 | Q | A | -1.2089 | |
| 41 | L | A | -1.0162 | |
| 42 | A | A | 0.0000 | |
| 43 | H | A | -2.0238 | |
| 44 | Q | A | -2.0642 | |
| 45 | S | A | -1.6311 | |
| 46 | N | A | -1.8284 | |
| 47 | S | A | -0.8625 | |
| 48 | T | A | -0.8736 | |
| 49 | N | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | P | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | T | A | -0.0269 | |
| 60 | A | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | M | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | L | A | -0.0698 | |
| 67 | G | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | K | A | -2.2686 | |
| 70 | A | A | -2.0102 | |
| 71 | D | A | -2.8996 | |
| 72 | T | A | 0.0000 | |
| 73 | H | A | -2.2641 | |
| 74 | D | A | -2.7472 | |
| 75 | E | A | -2.5479 | |
| 76 | I | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | E | A | -2.6898 | |
| 79 | G | A | -1.6954 | |
| 80 | L | A | 0.0000 | |
| 81 | N | A | -1.9658 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | -2.1901 | |
| 84 | L | A | -1.5743 | |
| 85 | T | A | -1.1947 | |
| 86 | E | A | -2.0925 | |
| 87 | I | A | -1.4605 | |
| 88 | P | A | -1.3518 | |
| 89 | E | A | -1.9975 | |
| 90 | A | A | -1.4052 | |
| 91 | Q | A | -1.9216 | |
| 92 | I | A | 0.0000 | |
| 93 | H | A | -1.5662 | |
| 94 | E | A | -2.6059 | |
| 95 | G | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | Q | A | -1.7857 | |
| 98 | E | A | -2.0250 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | -1.6264 | |
| 101 | R | A | -2.6335 | |
| 102 | T | A | -2.0978 | |
| 103 | L | A | -1.7549 | |
| 104 | N | A | -2.7579 | |
| 105 | Q | A | -2.8805 | |
| 106 | P | A | -2.2166 | |
| 107 | D | A | -2.6965 | |
| 108 | S | A | -2.4392 | |
| 109 | Q | A | -2.6165 | |
| 110 | L | A | -1.5785 | |
| 111 | Q | A | -1.8542 | |
| 112 | L | A | -0.9672 | |
| 113 | T | A | -0.6123 | |
| 114 | T | A | -0.3133 | |
| 115 | G | A | -0.5218 | |
| 116 | N | A | -0.7072 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | S | A | -0.9780 | |
| 122 | E | A | -1.8488 | |
| 123 | G | A | -1.4922 | |
| 124 | L | A | -1.5152 | |
| 125 | K | A | -2.5917 | |
| 126 | L | A | -1.7800 | |
| 127 | V | A | -1.8794 | |
| 128 | D | A | -2.8570 | |
| 129 | K | A | -2.9451 | |
| 130 | F | A | 0.0000 | |
| 131 | L | A | -2.0445 | |
| 132 | E | A | -3.1964 | |
| 133 | D | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | K | A | -3.2277 | |
| 136 | K | A | -3.1582 | |
| 137 | L | A | -1.7158 | |
| 138 | Y | A | 0.0000 | |
| 139 | H | A | -2.7353 | |
| 140 | S | A | -2.1375 | |
| 141 | E | A | -2.1785 | |
| 142 | A | A | -0.9318 | |
| 143 | F | A | -0.0656 | |
| 144 | T | A | -0.4030 | |
| 145 | V | A | 0.0000 | |
| 146 | N | A | -2.7639 | |
| 147 | F | A | -2.6482 | |
| 148 | G | A | -2.6651 | |
| 149 | D | A | -3.5203 | |
| 150 | T | A | -3.9305 | |
| 151 | E | A | -4.4150 | |
| 152 | E | A | -4.4003 | |
| 153 | A | A | 0.0000 | |
| 154 | K | A | -3.7545 | |
| 155 | K | A | -4.0799 | |
| 156 | Q | A | -2.8550 | |
| 157 | I | A | 0.0000 | |
| 158 | N | A | 0.0000 | |
| 159 | D | A | -2.3521 | |
| 160 | Y | A | -1.6571 | |
| 161 | V | A | 0.0000 | |
| 162 | E | A | -2.2917 | |
| 163 | K | A | -2.7615 | |
| 164 | G | A | -1.9463 | |
| 165 | T | A | 0.0000 | |
| 166 | Q | A | -2.4842 | |
| 167 | G | A | -2.3429 | |
| 168 | K | A | -2.1161 | |
| 169 | I | A | 0.0000 | |
| 170 | V | A | -0.2621 | |
| 171 | D | A | -2.0144 | |
| 172 | L | A | -1.2417 | |
| 173 | V | A | 0.0000 | |
| 174 | K | A | -3.2364 | |
| 175 | E | A | -3.3948 | |
| 176 | L | A | -2.7075 | |
| 177 | D | A | -3.1687 | |
| 178 | R | A | -3.7296 | |
| 179 | D | A | -3.0491 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | -0.8960 | |
| 182 | F | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | F | A | -0.5011 | |
| 190 | F | A | 0.0000 | |
| 191 | K | A | -1.4934 | |
| 192 | G | A | -1.5041 | |
| 193 | K | A | -1.8796 | |
| 194 | W | A | 0.0000 | |
| 195 | E | A | -2.5432 | |
| 196 | R | A | -1.7544 | |
| 197 | P | A | -1.6485 | |
| 198 | F | A | 0.0000 | |
| 199 | E | A | -1.6096 | |
| 200 | V | A | -0.4878 | |
| 201 | K | A | -2.0417 | |
| 202 | D | A | -2.2976 | |
| 203 | T | A | -2.4418 | |
| 204 | E | A | -3.5888 | |
| 205 | E | A | -3.7481 | |
| 206 | E | A | -3.2120 | |
| 207 | D | A | -2.3522 | |
| 208 | F | A | 0.0000 | |
| 209 | H | A | -1.0597 | |
| 210 | V | A | -0.2987 | |
| 211 | D | A | -0.9336 | |
| 212 | Q | A | -1.2252 | |
| 213 | V | A | 0.7932 | |
| 214 | T | A | 0.0896 | |
| 215 | T | A | -0.6853 | |
| 216 | V | A | -1.1378 | |
| 217 | K | A | -2.9402 | |
| 218 | V | A | 0.0000 | |
| 219 | P | A | -2.4558 | |
| 220 | M | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | K | A | -1.3721 | |
| 223 | R | A | -0.6661 | |
| 224 | L | A | 0.5143 | |
| 225 | G | A | 0.0000 | |
| 226 | M | A | -0.7449 | |
| 227 | F | A | 0.0000 | |
| 228 | N | A | -1.9316 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | -1.1042 | |
| 231 | H | A | -0.9591 | |
| 232 | C | A | -1.4524 | |
| 233 | K | A | -2.5950 | |
| 234 | K | A | -2.6381 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | W | A | -0.3243 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | M | A | 0.0000 | |
| 243 | K | A | -1.5802 | |
| 244 | Y | A | 0.0000 | |
| 245 | L | A | -1.0445 | |
| 246 | G | A | -1.2423 | |
| 247 | N | A | -1.3018 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | P | A | 0.0000 | |
| 256 | D | A | -2.0388 | |
| 257 | E | A | -2.7343 | |
| 258 | G | A | -2.2403 | |
| 259 | K | A | -2.2627 | |
| 260 | L | A | -1.5852 | |
| 261 | Q | A | -2.0709 | |
| 262 | H | A | -2.0935 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | 0.0000 | |
| 265 | N | A | -2.1111 | |
| 266 | E | A | -1.7527 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | -1.2487 | |
| 269 | H | A | -1.6298 | |
| 270 | D | A | -2.1572 | |
| 271 | I | A | -1.3906 | |
| 272 | I | A | 0.0000 | |
| 273 | T | A | -1.6912 | |
| 274 | K | A | -2.4260 | |
| 275 | F | A | 0.0000 | |
| 276 | L | A | -1.6854 | |
| 277 | E | A | -3.1112 | |
| 278 | N | A | -3.2002 | |
| 279 | E | A | -3.5277 | |
| 280 | D | A | -3.7433 | |
| 281 | R | A | -2.8003 | |
| 282 | R | A | -2.3727 | |
| 283 | S | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | S | A | -0.4954 | |
| 286 | L | A | 0.0000 | |
| 287 | H | A | -1.2399 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | K | A | -1.3620 | |
| 291 | L | A | 0.0000 | |
| 292 | S | A | -0.8018 | |
| 293 | I | A | 0.0000 | |
| 294 | T | A | -0.4985 | |
| 295 | G | A | 0.0000 | |
| 296 | T | A | -0.3352 | |
| 297 | Y | A | -0.6597 | |
| 298 | D | A | -1.5723 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -1.4648 | |
| 301 | S | A | -1.2625 | |
| 302 | V | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | G | A | -1.2703 | |
| 305 | Q | A | -1.4341 | |
| 306 | L | A | -1.0573 | |
| 307 | G | A | -1.1649 | |
| 308 | I | A | 0.0000 | |
| 309 | T | A | -1.0278 | |
| 310 | K | A | -1.8965 | |
| 311 | V | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | S | A | -1.3615 | |
| 314 | N | A | -1.8437 | |
| 315 | G | A | -1.6183 | |
| 316 | A | A | -1.7800 | |
| 317 | D | A | -2.0785 | |
| 318 | L | A | 0.0000 | |
| 319 | S | A | -1.5292 | |
| 320 | G | A | -1.1804 | |
| 321 | V | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | E | A | -3.0454 | |
| 324 | E | A | -3.0031 | |
| 325 | A | A | -1.6705 | |
| 326 | P | A | -1.2940 | |
| 327 | L | A | 0.0000 | |
| 328 | K | A | -1.0379 | |
| 329 | L | A | 0.0000 | |
| 330 | S | A | 0.0000 | |
| 331 | K | A | -1.0582 | |
| 332 | A | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | H | A | 0.0000 | |
| 335 | K | A | -0.3816 | |
| 336 | A | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | T | A | -0.6654 | |
| 340 | I | A | 0.0000 | |
| 341 | D | A | -1.3407 | |
| 342 | G | A | 0.0000 | mutated: EG342A |
| 343 | K | A | -2.1160 | |
| 344 | G | A | -1.7456 | |
| 345 | T | A | -1.5814 | |
| 346 | E | A | -2.0974 | |
| 347 | A | A | -1.1059 | |
| 348 | A | A | -0.6350 | |
| 349 | G | A | -0.7212 | |
| 350 | A | A | 0.3474 | |
| 351 | M | A | 1.8013 | |
| 352 | F | A | 2.2709 | |
| 353 | L | A | 2.3563 | |
| 354 | E | A | 1.1513 | |
| 355 | A | A | 0.6761 | |
| 356 | I | A | 1.1513 | |
| 357 | P | A | 0.8393 | |
| 358 | M | A | 1.5787 | |
| 359 | S | A | 1.3457 | |
| 360 | I | A | 1.8329 | |
| 361 | P | A | 0.4765 | |
| 362 | P | A | -0.7870 | |
| 363 | E | A | -1.7156 | |
| 364 | V | A | 0.0000 | |
| 365 | K | A | -1.2387 | |
| 366 | F | A | 0.0000 | |
| 367 | N | A | -1.0082 | |
| 368 | K | A | -1.1480 | |
| 369 | P | A | -0.2208 | |
| 370 | F | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | M | A | 0.0000 | |
| 375 | I | A | 0.0000 | |
| 376 | E | A | 0.0000 | |
| 377 | Q | A | -1.2311 | |
| 378 | N | A | -1.3645 | |
| 379 | T | A | 0.0000 | |
| 380 | K | A | -0.7401 | |
| 381 | S | A | 0.0000 | |
| 382 | P | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | F | A | 0.0000 | |
| 385 | M | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | K | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | V | A | -0.3579 | |
| 390 | N | A | -0.6551 | |
| 391 | P | A | 0.0000 | |
| 392 | T | A | -1.0588 | |
| 393 | Q | A | -1.3851 | |
| 394 | K | A | -1.9937 |
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