| Chain sequence(s) |
A: NYARGHYTIGKEIIDPVLDRIRKLSDQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIAAIKTKRSIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGIDSYEDEDEGEE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | GA111A,IQ110A,EP113A,KP112A,IP115A,IL114A,PL117A,DK116A,LF119A,VF118A,GD106A,HR107A,AP104A,RG105A,NM102A,YE103A,YV108A,TP109A,DL120A,RV121A,IL122A,RA123A,KF124A,LQ125A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 33.3907 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 (00:04:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:13:26)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:15:28)
[INFO] Main: Simulation completed successfully. (00:15:30)
|
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 | |
| 102 | M | A | 0.3730 | mutated: NM102A |
| 103 | E | A | 0.0000 | mutated: YE103A |
| 104 | P | A | 0.0000 | mutated: AP104A |
| 105 | G | A | -0.4378 | mutated: RG105A |
| 106 | D | A | 0.0000 | mutated: GD106A |
| 107 | R | A | -0.3807 | mutated: HR107A |
| 108 | V | A | -0.1278 | mutated: YV108A |
| 109 | P | A | -0.7662 | mutated: TP109A |
| 110 | Q | A | -1.3007 | mutated: IQ110A |
| 111 | A | A | 0.0000 | mutated: GA111A |
| 112 | P | A | -0.6923 | mutated: KP112A |
| 113 | P | A | -0.5811 | mutated: EP113A |
| 114 | L | A | 0.2203 | mutated: IL114A |
| 115 | P | A | 0.1657 | mutated: IP115A |
| 116 | K | A | -0.0754 | mutated: DK116A |
| 117 | L | A | 2.1599 | mutated: PL117A |
| 118 | F | A | 2.5487 | mutated: VF118A |
| 119 | F | A | 1.5775 | mutated: LF119A |
| 120 | L | A | 2.6331 | mutated: DL120A |
| 121 | V | A | 3.0790 | mutated: RV121A |
| 122 | L | A | 1.6306 | mutated: IL122A |
| 123 | A | A | 1.0934 | mutated: RA123A |
| 124 | F | A | 1.5360 | mutated: KF124A |
| 125 | Q | A | -0.4699 | mutated: LQ125A |
| 126 | S | A | -0.8372 | |
| 127 | D | A | -1.8121 | |
| 128 | Q | A | -1.8921 | |
| 129 | C | A | -1.1438 | |
| 130 | T | A | -0.7979 | |
| 131 | G | A | -0.8992 | |
| 132 | L | A | -0.9227 | |
| 133 | Q | A | -1.2280 | |
| 134 | G | A | -0.6897 | |
| 135 | F | A | 0.4989 | |
| 136 | L | A | 1.0536 | |
| 137 | V | A | 1.3931 | |
| 138 | F | A | 2.1495 | |
| 139 | H | A | 0.9295 | |
| 140 | S | A | 0.3356 | |
| 141 | F | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | G | A | -0.2109 | |
| 144 | G | A | -0.1128 | |
| 145 | T | A | -0.3545 | |
| 146 | G | A | 0.1238 | |
| 147 | S | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | -0.3328 | |
| 154 | M | A | 0.0000 | |
| 155 | E | A | -1.5950 | |
| 156 | R | A | -1.3694 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | -1.1311 | |
| 159 | V | A | 0.0254 | |
| 160 | D | A | -1.6013 | |
| 161 | Y | A | -1.2978 | |
| 162 | G | A | -1.5497 | |
| 163 | K | A | -2.2336 | |
| 164 | K | A | -1.7697 | |
| 165 | S | A | 0.0000 | |
| 166 | K | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | I | A | 0.5511 | |
| 172 | Y | A | 0.0000 | |
| 173 | P | A | -0.2649 | |
| 174 | A | A | 0.0000 | |
| 175 | P | A | -0.8376 | |
| 176 | Q | A | -1.0163 | |
| 177 | V | A | -0.1019 | |
| 178 | S | A | 0.0452 | |
| 179 | T | A | 0.1888 | |
| 180 | A | A | 0.8565 | |
| 181 | V | A | 1.7313 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | H | A | -1.2388 | |
| 193 | T | A | -0.7913 | |
| 194 | T | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | E | A | -2.2585 | |
| 197 | H | A | -1.3459 | |
| 198 | S | A | 0.0000 | |
| 199 | D | A | -0.8814 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | D | A | 0.0000 | |
| 206 | N | A | -0.3519 | |
| 207 | E | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | Y | A | -1.5451 | |
| 211 | D | A | -3.0818 | |
| 212 | I | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | R | A | -4.5096 | |
| 215 | R | A | -3.5297 | |
| 216 | N | A | -2.4124 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -3.8335 | |
| 219 | I | A | -3.2459 | |
| 220 | E | A | -3.9451 | |
| 221 | R | A | -3.3871 | |
| 222 | P | A | 0.0000 | |
| 223 | T | A | -0.2406 | |
| 224 | Y | A | 0.7412 | |
| 225 | T | A | -0.1344 | |
| 226 | N | A | -0.5939 | |
| 227 | L | A | 0.0000 | |
| 228 | N | A | -1.3131 | |
| 229 | R | A | -1.0597 | |
| 230 | L | A | 0.0000 | |
| 231 | I | A | -0.5449 | |
| 232 | S | A | -0.6450 | |
| 233 | Q | A | -0.4096 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.1102 | |
| 236 | S | A | -0.1319 | |
| 237 | S | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | T | A | -0.1592 | |
| 240 | A | A | 0.0000 | |
| 241 | S | A | -0.6153 | |
| 242 | L | A | -0.5220 | |
| 243 | R | A | -1.1771 | |
| 244 | F | A | -0.6157 | |
| 245 | D | A | -1.5201 | |
| 246 | G | A | -0.6156 | |
| 247 | A | A | 0.2560 | |
| 248 | L | A | 0.5226 | |
| 249 | N | A | -1.0647 | |
| 250 | V | A | 0.0000 | |
| 251 | D | A | -1.2387 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | -1.1752 | |
| 254 | E | A | -1.6552 | |
| 255 | F | A | 0.0000 | |
| 256 | Q | A | -0.9714 | |
| 257 | T | A | -0.6775 | |
| 258 | N | A | -0.8201 | |
| 259 | L | A | 0.0000 | |
| 260 | V | A | -0.1295 | |
| 261 | P | A | 0.1732 | |
| 262 | Y | A | 0.4515 | |
| 263 | P | A | -0.5218 | |
| 264 | R | A | -0.8151 | |
| 265 | I | A | 0.0000 | |
| 266 | H | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | P | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | P | A | -0.3347 | |
| 275 | V | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | S | A | -1.5178 | |
| 278 | A | A | -1.4026 | |
| 279 | E | A | -2.3707 | |
| 280 | K | A | -2.4056 | |
| 281 | A | A | -1.6915 | |
| 282 | Y | A | -0.5707 | |
| 283 | H | A | -2.0578 | |
| 284 | E | A | -2.7420 | |
| 285 | Q | A | -2.3568 | |
| 286 | L | A | 0.0000 | |
| 287 | S | A | -1.6219 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | -1.2796 | |
| 290 | E | A | -1.9681 | |
| 291 | I | A | 0.0000 | |
| 292 | T | A | 0.0000 | |
| 293 | N | A | -1.2079 | |
| 294 | A | A | -1.0274 | |
| 295 | C | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | E | A | -1.4516 | |
| 298 | P | A | -1.0852 | |
| 299 | A | A | -0.9608 | |
| 300 | N | A | -0.9530 | |
| 301 | Q | A | 0.0000 | |
| 302 | M | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -0.8593 | |
| 305 | C | A | 0.0000 | |
| 306 | D | A | -1.5431 | |
| 307 | P | A | 0.0000 | |
| 308 | R | A | -2.9854 | |
| 309 | H | A | -2.2205 | |
| 310 | G | A | -1.6061 | |
| 311 | K | A | -1.3115 | |
| 312 | Y | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | Y | A | 0.0000 | |
| 320 | R | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | D | A | -1.7274 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | -0.4488 | |
| 325 | P | A | -1.0338 | |
| 326 | K | A | -2.5453 | |
| 327 | D | A | -2.3493 | |
| 328 | V | A | 0.0000 | |
| 329 | N | A | -2.0264 | |
| 330 | A | A | -1.4220 | |
| 331 | A | A | 0.0000 | |
| 332 | I | A | -0.7444 | |
| 333 | A | A | -0.8752 | |
| 334 | A | A | -0.7291 | |
| 335 | I | A | 0.0000 | |
| 336 | K | A | -1.9936 | |
| 337 | T | A | -1.6306 | |
| 338 | K | A | -2.2658 | |
| 339 | R | A | -2.8940 | |
| 340 | S | A | -2.3545 | |
| 341 | I | A | -2.1201 | |
| 342 | Q | A | -2.2971 | |
| 343 | F | A | -1.0190 | |
| 344 | V | A | 0.0000 | |
| 345 | D | A | -1.0556 | |
| 346 | W | A | -0.1610 | |
| 347 | C | A | -0.1257 | |
| 348 | P | A | -0.5136 | |
| 349 | T | A | -0.4380 | |
| 350 | G | A | 0.0000 | |
| 351 | F | A | -0.5330 | |
| 352 | K | A | -0.7571 | |
| 353 | V | A | -0.1769 | |
| 354 | G | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | Y | A | 0.1863 | |
| 358 | Q | A | -0.6707 | |
| 359 | P | A | -1.0518 | |
| 360 | P | A | 0.0000 | |
| 361 | T | A | -0.4042 | |
| 362 | V | A | -0.1608 | |
| 363 | V | A | 0.3545 | |
| 364 | P | A | -0.2631 | |
| 365 | G | A | -0.4375 | |
| 366 | G | A | -0.5221 | |
| 367 | D | A | -1.0265 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | K | A | -1.7985 | |
| 371 | V | A | -1.4381 | |
| 372 | Q | A | -1.9518 | |
| 373 | R | A | -1.4573 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | M | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | T | A | -1.2052 | |
| 383 | A | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | A | A | -1.2955 | |
| 386 | E | A | -1.0869 | |
| 387 | A | A | 0.0000 | |
| 388 | W | A | 0.0000 | |
| 389 | A | A | -0.9686 | |
| 390 | R | A | -1.3538 | |
| 391 | L | A | 0.0000 | |
| 392 | D | A | 0.0000 | |
| 393 | H | A | -1.3615 | |
| 394 | K | A | -0.8102 | |
| 395 | F | A | 0.0000 | |
| 396 | D | A | -1.0156 | |
| 397 | L | A | 0.2287 | |
| 398 | M | A | -0.2600 | |
| 399 | Y | A | -0.8524 | |
| 400 | A | A | -0.8766 | |
| 401 | K | A | -2.1162 | |
| 402 | R | A | -2.4214 | |
| 403 | A | A | -0.7723 | |
| 404 | F | A | 0.1412 | |
| 405 | V | A | 0.0000 | |
| 406 | H | A | -0.8986 | |
| 407 | W | A | 0.3599 | |
| 408 | Y | A | 0.0000 | |
| 409 | V | A | -0.6511 | |
| 410 | G | A | -0.9477 | |
| 411 | E | A | -1.1857 | |
| 412 | G | A | -1.1678 | |
| 413 | M | A | 0.0000 | |
| 414 | E | A | -2.3104 | |
| 415 | E | A | -1.8969 | |
| 416 | G | A | -1.5983 | |
| 417 | E | A | -2.0699 | |
| 418 | F | A | 0.0000 | |
| 419 | S | A | -1.9311 | |
| 420 | E | A | -2.9397 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -2.0818 | |
| 423 | E | A | -2.8706 | |
| 424 | D | A | -2.0184 | |
| 425 | M | A | 0.0000 | |
| 426 | A | A | -1.6504 | |
| 427 | A | A | -1.7164 | |
| 428 | L | A | 0.0000 | |
| 429 | E | A | -2.6479 | |
| 430 | K | A | -3.2730 | |
| 431 | D | A | -2.6290 | |
| 432 | Y | A | 0.0000 | |
| 433 | E | A | -3.3314 | |
| 434 | E | A | -3.0265 | |
| 435 | V | A | -1.4272 | |
| 436 | G | A | -1.1580 | |
| 437 | I | A | -0.7085 | |
| 438 | D | A | -1.0539 | |
| 439 | S | A | -1.4131 | |
| 440 | Y | A | -1.5882 | |
| 441 | E | A | -3.4897 | |
| 442 | D | A | -4.2004 | |
| 443 | E | A | -4.7582 | |
| 444 | D | A | -5.2014 | |
| 445 | E | A | -5.0452 | |
| 446 | G | A | -4.3417 | |
| 447 | E | A | -4.2357 | |
| 448 | E | A | -3.4161 |
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