| Chain sequence(s) |
A: MYGIEYTTILTFLISIILLNYILKSITRIMDYIIYRFLLIIVILSPFVNAQNYGINLPITGSMDTAYANSTQEEPFLTSTLCLYYPTEASTEINDNEWKDTLSQLFLTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNIVLMKYDSTLELDMSELADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLTTDTNTFEEVATAEKLVITDVVDGVNHKLNVTTTTCTIRNCKKLGPRENVAVIQVGGSNILDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQIVQVMSKRSRSLNSAAFYYRV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | YC67A,TS171A,VI116A,VI326A,LF317A,KN236A,YF35A,IV55A,LV57A,NY56A,TI209A,YF134A,SL15A,IT14A,IV17A,IF16A,TI11A,RK36A,LF13A,FY12A,LM77A,LF39A,LT38A,LV19A,LF18A,AT68A,YH173A,EG5A,SA319A,TS7A,YC6A,IV9A,IL33A,GR204A,YF32A,YN324A,AS320A,PA46A,FL47A,LV44A,SA45A,VA42A,IV43A,IV40A,IV41A,FI37A,VL48A,NS20A,IV22A,LF23A,KQ24A,ST25A,IL26A,TV27A,YT323A,IM29A,AP66A,IL34A,TS60A,LI269A,AS321A,IV268A,TS78A,LQ208A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 28.6834 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 (00:02:21)
[INFO] FoldX: Starting FoldX energy minimalization (00:15:43)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:17:38)
[INFO] Main: Simulation completed successfully. (00:17:41)
|
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 | 1.9913 | |
| 2 | Y | A | 2.2902 | |
| 3 | G | A | 1.6909 | |
| 4 | I | A | 2.6586 | |
| 5 | G | A | 1.8817 | mutated: EG5A |
| 6 | C | A | 2.5473 | mutated: YC6A |
| 7 | S | A | 2.7159 | mutated: TS7A |
| 8 | T | A | 2.8622 | |
| 9 | V | A | 4.0289 | mutated: IV9A |
| 10 | L | A | 4.6389 | |
| 11 | I | A | 5.1994 | mutated: TI11A |
| 12 | Y | A | 5.5601 | mutated: FY12A |
| 13 | F | A | 5.8242 | mutated: LF13A |
| 14 | T | A | 4.9663 | mutated: IT14A |
| 15 | L | A | 5.6426 | mutated: SL15A |
| 16 | F | A | 5.8179 | mutated: IF16A |
| 17 | V | A | 5.6240 | mutated: IV17A |
| 18 | F | A | 5.1897 | mutated: LF18A |
| 19 | V | A | 4.0637 | mutated: LV19A |
| 20 | S | A | 3.3916 | mutated: NS20A |
| 21 | Y | A | 3.7569 | |
| 22 | V | A | 3.0863 | mutated: IV22A |
| 23 | F | A | 3.2607 | mutated: LF23A |
| 24 | Q | A | 1.3061 | mutated: KQ24A |
| 25 | T | A | 1.3472 | mutated: ST25A |
| 26 | L | A | 2.7781 | mutated: IL26A |
| 27 | V | A | 2.1688 | mutated: TV27A |
| 28 | R | A | 0.4436 | |
| 29 | M | A | 2.3607 | mutated: IM29A |
| 30 | M | A | 2.2319 | |
| 31 | D | A | 1.9848 | |
| 32 | F | A | 3.2577 | mutated: YF32A |
| 33 | L | A | 3.1415 | mutated: IL33A |
| 34 | L | A | 3.4292 | mutated: IL34A |
| 35 | F | A | 4.0924 | mutated: YF35A |
| 36 | K | A | 2.7042 | mutated: RK36A |
| 37 | I | A | 4.0977 | mutated: FI37A |
| 38 | T | A | 3.8377 | mutated: LT38A |
| 39 | F | A | 4.3076 | mutated: LF39A |
| 40 | V | A | 4.1407 | mutated: IV40A |
| 41 | V | A | 4.3631 | mutated: IV41A |
| 42 | A | A | 3.2312 | mutated: VA42A |
| 43 | V | A | 3.8064 | mutated: IV43A |
| 44 | V | A | 3.2362 | mutated: LV44A |
| 45 | A | A | 2.4946 | mutated: SA45A |
| 46 | A | A | 1.7646 | mutated: PA46A |
| 47 | L | A | 2.6190 | mutated: FL47A |
| 48 | L | A | 2.0627 | mutated: VL48A |
| 49 | N | A | -0.5898 | |
| 50 | A | A | -0.6496 | |
| 51 | Q | A | -1.6166 | |
| 52 | N | A | -1.3706 | |
| 53 | Y | A | 0.6992 | |
| 54 | G | A | 0.6110 | |
| 55 | V | A | 2.1612 | mutated: IV55A |
| 56 | Y | A | 2.6196 | mutated: NY56A |
| 57 | V | A | 2.2503 | mutated: LV57A |
| 58 | P | A | 1.5170 | |
| 59 | I | A | 2.1863 | |
| 60 | S | A | 0.4402 | mutated: TS60A |
| 61 | G | A | -0.2155 | |
| 62 | S | A | -0.5510 | |
| 63 | M | A | -0.4143 | |
| 64 | D | A | -2.0206 | |
| 65 | T | A | -0.3950 | |
| 66 | P | A | -0.5654 | mutated: AP66A |
| 67 | C | A | 0.1375 | mutated: YC67A |
| 68 | T | A | -0.3154 | mutated: AT68A |
| 69 | N | A | -1.7521 | |
| 70 | S | A | -1.7643 | |
| 71 | T | A | -1.9616 | |
| 72 | Q | A | -3.1077 | |
| 73 | E | A | -3.2127 | |
| 74 | E | A | -2.6474 | |
| 75 | P | A | -1.7561 | |
| 76 | F | A | -0.4263 | |
| 77 | M | A | 0.4599 | mutated: LM77A |
| 78 | S | A | 0.1446 | mutated: TS78A |
| 79 | S | A | 0.0000 | |
| 80 | T | A | 0.1498 | |
| 81 | L | A | 0.0000 | |
| 82 | C | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | Y | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | P | A | 0.0000 | |
| 87 | T | A | -1.0391 | |
| 88 | E | A | -1.3470 | |
| 89 | A | A | 0.0000 | |
| 90 | S | A | -1.3691 | |
| 91 | T | A | -1.2739 | |
| 92 | E | A | -1.6381 | |
| 93 | I | A | -1.6737 | |
| 94 | N | A | -2.4932 | |
| 95 | D | A | -2.8571 | |
| 96 | N | A | -3.2324 | |
| 97 | E | A | -3.6618 | |
| 98 | W | A | 0.0000 | |
| 99 | K | A | -2.5126 | |
| 100 | D | A | -3.2348 | |
| 101 | T | A | -2.0658 | |
| 102 | L | A | 0.0000 | |
| 103 | S | A | -1.4457 | |
| 104 | Q | A | -1.5737 | |
| 105 | L | A | -0.6695 | |
| 106 | F | A | 0.0000 | |
| 107 | L | A | -0.1679 | |
| 108 | T | A | -0.5175 | |
| 109 | K | A | -1.0395 | |
| 110 | G | A | -0.5616 | |
| 111 | W | A | 0.0000 | |
| 112 | P | A | -0.1950 | |
| 113 | T | A | -0.6230 | |
| 114 | G | A | -0.6299 | |
| 115 | S | A | 0.0000 | |
| 116 | I | A | 0.0000 | mutated: VI116A |
| 117 | Y | A | 0.3024 | |
| 118 | F | A | 0.0000 | |
| 119 | K | A | -0.9491 | |
| 120 | E | A | -1.3445 | |
| 121 | Y | A | 0.0000 | |
| 122 | T | A | -0.8081 | |
| 123 | D | A | -0.9357 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | -0.5296 | |
| 126 | S | A | -0.7363 | |
| 127 | F | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | V | A | -0.5220 | |
| 130 | D | A | -1.9077 | |
| 131 | P | A | -1.1924 | |
| 132 | Q | A | -1.3286 | |
| 133 | L | A | 0.0000 | |
| 134 | F | A | 1.3210 | mutated: YF134A |
| 135 | C | A | 0.0000 | |
| 136 | D | A | -0.6927 | |
| 137 | Y | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | K | A | -0.8562 | |
| 144 | Y | A | -0.8730 | |
| 145 | D | A | -1.1666 | |
| 146 | S | A | -1.1298 | |
| 147 | T | A | -0.6641 | |
| 148 | L | A | -1.1119 | |
| 149 | E | A | -2.3755 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | -2.3009 | |
| 152 | M | A | 0.0000 | |
| 153 | S | A | -0.8968 | |
| 154 | E | A | -1.0211 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | -0.7053 | |
| 157 | D | A | -1.0978 | |
| 158 | L | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | L | A | -0.5651 | |
| 161 | N | A | -0.6079 | |
| 162 | E | A | -0.5862 | |
| 163 | W | A | 0.0000 | |
| 164 | L | A | 0.7093 | |
| 165 | C | A | -0.2610 | |
| 166 | N | A | -1.4574 | |
| 167 | P | A | -1.3531 | |
| 168 | M | A | 0.0000 | |
| 169 | D | A | -1.0934 | |
| 170 | I | A | -0.0046 | |
| 171 | S | A | 0.0819 | mutated: TS171A |
| 172 | L | A | 0.8549 | |
| 173 | H | A | 0.0876 | mutated: YH173A |
| 174 | Y | A | 0.8318 | |
| 175 | Y | A | 0.1965 | |
| 176 | Q | A | -0.7267 | |
| 177 | Q | A | 0.0000 | |
| 178 | T | A | -1.3793 | |
| 179 | D | A | -1.9790 | |
| 180 | E | A | -2.7107 | |
| 181 | A | A | -1.8462 | |
| 182 | N | A | 0.0000 | |
| 183 | K | A | -1.8249 | |
| 184 | W | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | M | A | 0.0000 | |
| 188 | G | A | -0.6340 | |
| 189 | S | A | -0.6431 | |
| 190 | S | A | -0.6526 | |
| 191 | C | A | 0.0000 | |
| 192 | T | A | -0.5928 | |
| 193 | I | A | 0.0000 | |
| 194 | K | A | -1.6704 | |
| 195 | V | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | P | A | 0.3400 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | -0.2950 | |
| 200 | T | A | -0.7675 | |
| 201 | Q | A | -1.2058 | |
| 202 | T | A | -0.2352 | |
| 203 | L | A | 0.1863 | |
| 204 | R | A | -0.0673 | mutated: GR204A |
| 205 | I | A | 1.3165 | |
| 206 | G | A | -0.0254 | |
| 207 | C | A | -0.7572 | |
| 208 | Q | A | -1.1189 | mutated: LQ208A |
| 209 | I | A | -0.4417 | mutated: TI209A |
| 210 | T | A | -0.7121 | |
| 211 | D | A | -1.4579 | |
| 212 | T | A | -1.7160 | |
| 213 | N | A | -2.2467 | |
| 214 | T | A | -1.9160 | |
| 215 | F | A | 0.0000 | |
| 216 | E | A | -2.8136 | |
| 217 | E | A | -2.4899 | |
| 218 | V | A | -0.7532 | |
| 219 | A | A | 0.0000 | |
| 220 | T | A | -0.5178 | |
| 221 | A | A | -0.7146 | |
| 222 | E | A | -1.4452 | |
| 223 | K | A | -1.4076 | |
| 224 | L | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | I | A | -0.4107 | |
| 227 | T | A | 0.0000 | |
| 228 | D | A | -1.7303 | |
| 229 | V | A | -0.6294 | |
| 230 | V | A | 0.1097 | |
| 231 | D | A | -1.9828 | |
| 232 | G | A | -1.0130 | |
| 233 | V | A | -0.1337 | |
| 234 | N | A | -0.3388 | |
| 235 | H | A | 0.0000 | |
| 236 | N | A | 0.0702 | mutated: KN236A |
| 237 | L | A | 0.0000 | |
| 238 | N | A | -1.1437 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | -0.2250 | |
| 241 | T | A | -0.1634 | |
| 242 | T | A | -0.1996 | |
| 243 | T | A | -0.3169 | |
| 244 | C | A | 0.0000 | |
| 245 | T | A | -0.3973 | |
| 246 | I | A | 0.0000 | |
| 247 | R | A | -1.1337 | |
| 248 | N | A | -1.1408 | |
| 249 | C | A | 0.0000 | |
| 250 | K | A | -1.2158 | |
| 251 | K | A | -0.9706 | |
| 252 | L | A | 0.4264 | |
| 253 | G | A | -0.2406 | |
| 254 | P | A | -0.8531 | |
| 255 | R | A | -1.0612 | |
| 256 | E | A | -1.3965 | |
| 257 | N | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | A | A | -0.0837 | |
| 260 | V | A | -0.0390 | |
| 261 | I | A | 0.0000 | |
| 262 | Q | A | -0.6543 | |
| 263 | V | A | 0.0000 | |
| 264 | G | A | -1.6276 | |
| 265 | G | A | -0.9792 | |
| 266 | S | A | -0.3776 | |
| 267 | N | A | -0.7114 | |
| 268 | V | A | 1.2983 | mutated: IV268A |
| 269 | I | A | 1.3038 | mutated: LI269A |
| 270 | D | A | -0.3756 | |
| 271 | I | A | 0.2557 | |
| 272 | T | A | -0.5568 | |
| 273 | A | A | -1.1390 | |
| 274 | D | A | -1.8127 | |
| 275 | P | A | -1.1334 | |
| 276 | T | A | -0.8019 | |
| 277 | T | A | -0.7656 | |
| 278 | A | A | -0.5866 | |
| 279 | P | A | -0.9332 | |
| 280 | Q | A | -1.9334 | |
| 281 | T | A | -1.5091 | |
| 282 | E | A | -2.1133 | |
| 283 | R | A | -1.7819 | |
| 284 | M | A | -0.4149 | |
| 285 | M | A | -0.6929 | |
| 286 | R | A | -2.0768 | |
| 287 | I | A | 0.0000 | |
| 288 | N | A | -2.3091 | |
| 289 | W | A | -1.9976 | |
| 290 | K | A | -2.5810 | |
| 291 | K | A | -2.3552 | |
| 292 | W | A | 0.0000 | |
| 293 | W | A | -0.4725 | |
| 294 | Q | A | -1.2147 | |
| 295 | V | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | Y | A | 0.0517 | |
| 298 | T | A | -0.3827 | |
| 299 | V | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | D | A | -1.9040 | |
| 302 | Y | A | -0.9738 | |
| 303 | V | A | 0.0000 | |
| 304 | N | A | -1.5723 | |
| 305 | Q | A | -1.0976 | |
| 306 | I | A | -0.4466 | |
| 307 | V | A | 0.0000 | |
| 308 | Q | A | -0.8257 | |
| 309 | V | A | 0.4349 | |
| 310 | M | A | 0.0000 | |
| 311 | S | A | -1.1827 | |
| 312 | K | A | -2.2223 | |
| 313 | R | A | -1.7506 | |
| 314 | S | A | -1.6119 | |
| 315 | R | A | -2.0483 | |
| 316 | S | A | -0.3863 | |
| 317 | F | A | 0.8474 | mutated: LF317A |
| 318 | N | A | -0.3942 | |
| 319 | A | A | 0.4550 | mutated: SA319A |
| 320 | S | A | -0.0204 | mutated: AS320A |
| 321 | S | A | 0.5126 | mutated: AS321A |
| 322 | F | A | 1.2604 | |
| 323 | T | A | -0.1087 | mutated: YT323A |
| 324 | N | A | -1.1382 | mutated: YN324A |
| 325 | R | A | -1.2460 | |
| 326 | I | A | 0.7324 | mutated: VI326A |
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