| 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 | LA4A,IA302A,LA92A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.80136 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] FoldX: Building mutant model (00:05:48)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:04)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:58)
[INFO] Main: Simulation completed successfully. (00:10:04)
|
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 | -2.1171 | |
| 2 | K | A | -3.1095 | |
| 3 | H | A | -2.0589 | |
| 4 | A | A | -0.8516 | mutated: LA4A |
| 5 | F | A | -0.0218 | |
| 6 | T | A | -0.3661 | |
| 7 | S | A | 0.0000 | |
| 8 | E | A | -1.2391 | |
| 9 | S | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | E | A | 0.0000 | |
| 13 | G | A | 0.0000 | |
| 14 | H | A | 0.0000 | |
| 15 | P | A | 0.0000 | |
| 16 | D | A | 0.0000 | |
| 17 | K | A | 0.0000 | |
| 18 | I | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | D | A | 0.0000 | |
| 21 | Q | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | S | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | A | A | -0.4708 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | D | A | -1.2441 | |
| 29 | A | A | -0.9686 | |
| 30 | I | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | E | A | -2.7643 | |
| 33 | Q | A | -2.3327 | |
| 34 | D | A | -1.8929 | |
| 35 | P | A | -1.8084 | |
| 36 | K | A | -2.1940 | |
| 37 | A | A | 0.0000 | |
| 38 | R | A | -1.2292 | |
| 39 | V | A | 0.0000 | |
| 40 | A | A | -0.9400 | |
| 41 | C | A | 0.0000 | |
| 42 | E | A | -1.6953 | |
| 43 | T | A | 0.0000 | |
| 44 | Y | A | 0.1747 | |
| 45 | V | A | 0.0000 | |
| 46 | K | A | -0.8739 | |
| 47 | T | A | -0.5998 | |
| 48 | G | A | -0.2823 | |
| 49 | M | A | 0.1753 | |
| 50 | V | A | 0.0000 | |
| 51 | L | A | 0.4306 | |
| 52 | V | A | 0.0000 | |
| 53 | G | A | -0.5546 | |
| 54 | G | A | -1.3674 | |
| 55 | E | A | -2.0169 | |
| 56 | I | A | 0.0000 | |
| 57 | T | A | -1.2777 | |
| 58 | T | A | -0.9059 | |
| 59 | S | A | -0.4248 | |
| 60 | A | A | -0.1575 | |
| 61 | W | A | 0.8578 | |
| 62 | V | A | -0.0834 | |
| 63 | D | A | -1.3285 | |
| 64 | I | A | -1.0608 | |
| 65 | E | A | -2.0653 | |
| 66 | E | A | -2.6763 | |
| 67 | I | A | -1.4296 | |
| 68 | T | A | 0.0000 | |
| 69 | R | A | -1.9865 | |
| 70 | N | A | -2.0688 | |
| 71 | T | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | R | A | -1.9341 | |
| 74 | E | A | -2.4569 | |
| 75 | I | A | 0.0000 | |
| 76 | G | A | -1.0929 | |
| 77 | Y | A | 0.0000 | |
| 78 | V | A | -0.5128 | |
| 79 | H | A | -1.4138 | |
| 80 | S | A | -1.5357 | |
| 81 | D | A | -2.0217 | |
| 82 | M | A | -0.5247 | |
| 83 | G | A | -0.3390 | |
| 84 | F | A | 0.0000 | |
| 85 | D | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | N | A | -1.7593 | |
| 88 | S | A | -0.8733 | |
| 89 | C | A | 0.0000 | |
| 90 | A | A | -0.1891 | |
| 91 | V | A | -0.0769 | |
| 92 | A | A | 0.3144 | mutated: LA92A |
| 93 | S | A | 0.0726 | |
| 94 | A | A | -0.0346 | |
| 95 | I | A | -0.3637 | |
| 96 | G | A | -1.2660 | |
| 97 | K | A | -2.2588 | |
| 98 | Q | A | -1.7730 | |
| 99 | S | A | -1.5188 | |
| 100 | P | A | -1.6063 | |
| 101 | D | A | -2.1257 | |
| 102 | I | A | -1.3473 | |
| 103 | N | A | -2.1489 | |
| 104 | Q | A | -2.5041 | |
| 105 | G | A | -1.9344 | |
| 106 | V | A | 0.0000 | |
| 107 | D | A | -3.0287 | |
| 108 | R | A | -2.7837 | |
| 109 | A | A | -1.5919 | |
| 110 | D | A | -2.1146 | |
| 111 | P | A | -1.4304 | |
| 112 | L | A | -0.9342 | |
| 113 | E | A | -2.2205 | |
| 114 | Q | A | -1.8053 | |
| 115 | G | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | G | A | -1.6482 | |
| 118 | D | A | -2.2796 | |
| 119 | Q | A | -1.8887 | |
| 120 | G | A | -0.8047 | |
| 121 | L | A | 0.3507 | |
| 122 | M | A | 0.0000 | |
| 123 | F | A | -0.2373 | |
| 124 | G | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | N | A | -2.4110 | |
| 129 | E | A | -1.8544 | |
| 130 | T | A | -1.4024 | |
| 131 | D | A | -2.1319 | |
| 132 | V | A | 0.0000 | |
| 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 | 0.0000 | |
| 140 | Y | A | -0.1713 | |
| 141 | A | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | R | A | -0.6163 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | Q | A | -1.1569 | |
| 147 | R | A | -1.4988 | |
| 148 | Q | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | E | A | -2.5265 | |
| 151 | V | A | 0.0000 | |
| 152 | R | A | -2.1028 | |
| 153 | K | A | -3.2755 | |
| 154 | N | A | -2.7537 | |
| 155 | G | A | -1.9090 | |
| 156 | T | A | -1.2712 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.7624 | |
| 159 | W | A | -0.3776 | |
| 160 | L | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | K | A | -1.4734 | |
| 166 | S | A | 0.0000 | |
| 167 | Q | A | -0.9199 | |
| 168 | V | A | 0.0000 | |
| 169 | T | A | -0.5750 | |
| 170 | F | A | 0.0000 | |
| 171 | Q | A | -1.0267 | |
| 172 | Y | A | 0.0000 | |
| 173 | D | A | -3.2834 | |
| 174 | D | A | -3.3976 | |
| 175 | G | A | -2.6320 | |
| 176 | K | A | -2.6633 | |
| 177 | I | A | -0.9077 | |
| 178 | V | A | -0.0183 | |
| 179 | G | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | D | A | -0.8760 | |
| 182 | A | A | -0.6632 | |
| 183 | V | A | 0.0000 | |
| 184 | V | A | 0.0488 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -0.4959 | |
| 187 | T | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | H | A | 0.0000 | |
| 190 | S | A | -1.6530 | |
| 191 | E | A | -3.0764 | |
| 192 | E | A | -3.0697 | |
| 193 | I | A | -2.6448 | |
| 194 | D | A | -3.7843 | |
| 195 | Q | A | -3.8347 | |
| 196 | K | A | -3.5182 | |
| 197 | S | A | -2.6168 | |
| 198 | L | A | 0.0000 | |
| 199 | Q | A | -2.8406 | |
| 200 | E | A | -3.3488 | |
| 201 | A | A | -2.2708 | |
| 202 | V | A | 0.0000 | |
| 203 | M | A | -1.9998 | |
| 204 | E | A | -3.0931 | |
| 205 | E | A | -2.1203 | |
| 206 | I | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -2.1126 | |
| 209 | P | A | -1.3425 | |
| 210 | I | A | -0.6379 | |
| 211 | L | A | 0.0000 | |
| 212 | P | A | -0.6602 | |
| 213 | A | A | -0.9587 | |
| 214 | E | A | -1.4546 | |
| 215 | W | A | -0.3500 | |
| 216 | L | A | -0.5954 | |
| 217 | T | A | -0.6085 | |
| 218 | S | A | -0.4229 | |
| 219 | A | A | -0.5129 | |
| 220 | T | A | 0.0000 | |
| 221 | K | A | -1.2491 | |
| 222 | F | A | 0.2364 | |
| 223 | F | A | 0.7213 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | 0.0000 | |
| 226 | P | A | -0.2069 | |
| 227 | T | A | -0.5499 | |
| 228 | G | A | -1.5635 | |
| 229 | R | A | -2.2256 | |
| 230 | F | A | -0.3536 | |
| 231 | V | A | 0.0000 | |
| 232 | I | A | 0.8086 | |
| 233 | G | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | M | A | 0.0909 | |
| 237 | G | A | -0.5015 | |
| 238 | D | A | -1.4004 | |
| 239 | C | A | -0.6514 | |
| 240 | G | A | 0.0000 | |
| 241 | L | A | -0.0646 | |
| 242 | T | A | 0.0000 | |
| 243 | G | A | -0.9586 | |
| 244 | R | A | -1.3248 | |
| 245 | K | A | -0.6301 | |
| 246 | I | A | -0.2181 | |
| 247 | I | A | -0.1035 | |
| 248 | V | A | 0.0000 | |
| 249 | D | A | 0.0000 | |
| 250 | T | A | 0.0000 | |
| 251 | Y | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | G | A | -0.6630 | |
| 254 | M | A | -0.2780 | |
| 255 | A | A | -0.7981 | |
| 256 | R | A | -1.7529 | |
| 257 | H | A | -1.2669 | |
| 258 | G | A | -0.5642 | |
| 259 | G | A | -0.4978 | |
| 260 | G | A | -0.5458 | |
| 261 | A | A | -0.7627 | |
| 262 | F | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | K | A | -0.7502 | |
| 266 | D | A | 0.0000 | |
| 267 | P | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | K | A | -1.0366 | |
| 270 | V | A | 0.0000 | |
| 271 | D | A | -0.7008 | |
| 272 | R | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | Y | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | Y | A | 0.0000 | |
| 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 | -1.2359 | |
| 288 | A | A | 0.0000 | |
| 289 | G | A | -1.3266 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | D | A | -2.7225 | |
| 293 | R | A | -1.5918 | |
| 294 | C | A | 0.0000 | |
| 295 | E | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | Q | A | -0.0099 | |
| 298 | V | A | 0.0000 | |
| 299 | S | A | 0.0000 | |
| 300 | Y | A | 0.0000 | |
| 301 | A | A | -0.8920 | |
| 302 | A | A | -0.9092 | mutated: IA302A |
| 303 | G | A | -1.1912 | |
| 304 | V | A | -0.5247 | |
| 305 | A | A | 0.0000 | |
| 306 | E | A | -2.0317 | |
| 307 | P | A | -0.8690 | |
| 308 | T | A | -0.4359 | |
| 309 | S | A | -0.0801 | |
| 310 | I | A | 0.3307 | |
| 311 | M | A | 0.3229 | |
| 312 | V | A | -0.1183 | |
| 313 | E | A | -0.5391 | |
| 314 | T | A | 0.0000 | |
| 315 | F | A | 0.0792 | |
| 316 | G | A | -0.9019 | |
| 317 | T | A | -1.5305 | |
| 318 | E | A | -2.2934 | |
| 319 | K | A | -2.5015 | |
| 320 | V | A | 0.0000 | |
| 321 | P | A | -1.5321 | |
| 322 | S | A | -1.6269 | |
| 323 | E | A | -1.7151 | |
| 324 | Q | A | -0.7822 | |
| 325 | L | A | 0.0000 | |
| 326 | T | A | -0.4855 | |
| 327 | L | A | 0.0979 | |
| 328 | L | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | R | A | -1.6797 | |
| 331 | E | A | -2.0181 | |
| 332 | F | A | -0.8650 | |
| 333 | F | A | 0.0000 | |
| 334 | D | A | -1.6399 | |
| 335 | L | A | 0.0000 | |
| 336 | R | A | -1.2879 | |
| 337 | P | A | 0.0000 | |
| 338 | Y | A | -0.4237 | |
| 339 | G | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | Q | A | -1.6624 | |
| 343 | M | A | -0.9952 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | -2.0542 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | -0.9812 | |
| 348 | H | A | -1.4195 | |
| 349 | P | A | -1.1551 | |
| 350 | I | A | -0.9035 | |
| 351 | Y | A | 0.0000 | |
| 352 | K | A | -1.4434 | |
| 353 | E | A | -2.0413 | |
| 354 | T | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | Y | A | -0.3601 | |
| 358 | G | A | 0.0000 | |
| 359 | H | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | R | A | -1.5691 | |
| 363 | E | A | -2.7962 | |
| 364 | H | A | -2.2447 | |
| 365 | F | A | 0.0000 | |
| 366 | P | A | -1.4309 | |
| 367 | W | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | K | A | -2.8812 | |
| 370 | T | A | -2.2081 | |
| 371 | D | A | -2.6106 | |
| 372 | K | A | -1.6489 | |
| 373 | A | A | -1.7191 | |
| 374 | Q | A | -2.0242 | |
| 375 | L | A | -1.0251 | |
| 376 | L | A | 0.0000 | |
| 377 | R | A | -2.0801 | |
| 378 | D | A | -2.6316 | |
| 379 | A | A | -1.2908 | |
| 380 | A | A | -1.4022 | |
| 381 | G | A | -1.5638 | |
| 382 | L | A | -1.7694 | |
| 383 | K | A | -2.5707 | |
| 384 | G | A | -2.1880 | |
| 385 | S | A | -1.7262 | |
| 386 | H | A | -2.4208 | |
| 387 | H | A | -2.5123 | |
| 388 | H | A | -2.7202 | |
| 389 | H | A | -2.6728 | |
| 390 | H | A | -2.4010 | |
| 391 | H | A | -1.8868 |
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