| Chain sequence(s) |
A: MKALQYTEIGSEPVVVDVPTPAPGPGEILLKVTAAGLCHSDIFVMDMPAEQYIYGLPLTLGHEGVGTVAELGAGVTGFETGDAVAVYGPWGCGACHACARGRENYCTRAAELGITPPGLGSPGSMAEYMIVDSARHLVPIGDLDPVAAVPLTDAGLTPYHAISRVLPLLGPGSTAVVIGVGGLGHVGIQILRAVSAARVIAVDLDDDRLALAREVGADAAVKSGAGAADAIRELTGGEGATAVFDFVGAQSTIDTAQQVVAIDGHISVVGIHAGAHAKVGFFMIPFGASVVTPYWGTRSELMDVVDLARAGRLDIHTETFTLDEGPTAYRRLREGSIRGRGVVVPG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VS279A,FY281A,IT284A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -2.01178 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:08)
[INFO] FoldX: Building mutant model (00:02:43)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:24)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:58)
[INFO] Main: Simulation completed successfully. (00:07:01)
|
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 | 0.0064 | |
| 2 | K | A | -0.5807 | |
| 3 | A | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | 0.0502 | |
| 6 | Y | A | 0.0000 | |
| 7 | T | A | -0.9558 | |
| 8 | E | A | -1.9089 | |
| 9 | I | A | -0.5749 | |
| 10 | G | A | -1.2120 | |
| 11 | S | A | -1.5307 | |
| 12 | E | A | -2.3041 | |
| 13 | P | A | 0.0000 | |
| 14 | V | A | 0.4947 | |
| 15 | V | A | 0.2851 | |
| 16 | V | A | 1.1456 | |
| 17 | D | A | -0.4171 | |
| 18 | V | A | 0.5974 | |
| 19 | P | A | 0.0050 | |
| 20 | T | A | 0.0820 | |
| 21 | P | A | 0.0990 | |
| 22 | A | A | -0.2677 | |
| 23 | P | A | -0.5329 | |
| 24 | G | A | -0.5361 | |
| 25 | P | A | -0.7745 | |
| 26 | G | A | -0.8508 | |
| 27 | E | A | -0.8804 | |
| 28 | I | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -1.1249 | |
| 32 | V | A | 0.0000 | |
| 33 | T | A | -0.4695 | |
| 34 | A | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | C | A | 0.0000 | |
| 39 | H | A | -0.1786 | |
| 40 | S | A | -0.0885 | |
| 41 | D | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | F | A | -0.3502 | |
| 44 | V | A | 0.3447 | |
| 45 | M | A | 0.0000 | |
| 46 | D | A | -1.4363 | |
| 47 | M | A | -0.3876 | |
| 48 | P | A | -0.6686 | |
| 49 | A | A | -0.7393 | |
| 50 | E | A | -1.9166 | |
| 51 | Q | A | -1.2163 | |
| 52 | Y | A | 0.4246 | |
| 53 | I | A | 1.6505 | |
| 54 | Y | A | 0.0000 | |
| 55 | G | A | -0.0926 | |
| 56 | L | A | -0.0214 | |
| 57 | P | A | -0.4596 | |
| 58 | L | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | H | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | T | A | -1.1867 | |
| 68 | V | A | 0.0000 | |
| 69 | A | A | -1.6803 | |
| 70 | E | A | -2.1270 | |
| 71 | L | A | -0.9412 | |
| 72 | G | A | 0.0000 | |
| 73 | A | A | -0.5502 | |
| 74 | G | A | -0.5851 | |
| 75 | V | A | -0.4104 | |
| 76 | T | A | -0.4149 | |
| 77 | G | A | -0.8032 | |
| 78 | F | A | -0.8346 | |
| 79 | E | A | -2.3280 | |
| 80 | T | A | -1.9672 | |
| 81 | G | A | -1.7365 | |
| 82 | D | A | -1.8418 | |
| 83 | A | A | -1.4568 | |
| 84 | V | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | Y | A | -0.1805 | |
| 88 | G | A | 0.0000 | |
| 89 | P | A | 0.1509 | |
| 90 | W | A | -0.2718 | |
| 91 | G | A | -0.2528 | |
| 92 | C | A | -0.3078 | |
| 93 | G | A | -0.6217 | |
| 94 | A | A | -0.4321 | |
| 95 | C | A | -0.8526 | |
| 96 | H | A | -1.3730 | |
| 97 | A | A | -1.1849 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | -1.5091 | |
| 100 | R | A | -2.5459 | |
| 101 | G | A | -2.0172 | |
| 102 | R | A | -1.8543 | |
| 103 | E | A | -1.0797 | |
| 104 | N | A | 0.1137 | |
| 105 | Y | A | 0.8531 | |
| 106 | C | A | -0.3632 | |
| 107 | T | A | -0.7826 | |
| 108 | R | A | -1.4338 | |
| 109 | A | A | 0.0000 | |
| 110 | A | A | -0.6833 | |
| 111 | E | A | -1.6051 | |
| 112 | L | A | 0.2041 | |
| 113 | G | A | -0.3063 | |
| 114 | I | A | 0.0297 | |
| 115 | T | A | -0.1918 | |
| 116 | P | A | -0.1628 | |
| 117 | P | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | G | A | 0.0216 | |
| 121 | S | A | -0.2659 | |
| 122 | P | A | -0.1142 | |
| 123 | G | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | M | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | E | A | -0.6343 | |
| 128 | Y | A | -0.1518 | |
| 129 | M | A | 0.0000 | |
| 130 | I | A | 0.3402 | |
| 131 | V | A | 0.0000 | |
| 132 | D | A | -0.9712 | |
| 133 | S | A | -0.6613 | |
| 134 | A | A | -0.4551 | |
| 135 | R | A | -0.9712 | |
| 136 | H | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | -0.1339 | |
| 139 | P | A | -0.7344 | |
| 140 | I | A | 0.0000 | |
| 141 | G | A | -2.3153 | |
| 142 | D | A | -3.0315 | |
| 143 | L | A | -2.3707 | |
| 144 | D | A | -2.3114 | |
| 145 | P | A | -0.9715 | |
| 146 | V | A | -0.4025 | |
| 147 | A | A | -0.8456 | |
| 148 | A | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | P | A | -0.0228 | |
| 151 | L | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | D | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | Y | A | 0.0000 | |
| 160 | H | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | S | A | -0.8602 | |
| 164 | R | A | -1.7012 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | -0.0470 | |
| 167 | P | A | -0.0641 | |
| 168 | L | A | 0.3912 | |
| 169 | L | A | 0.3818 | |
| 170 | G | A | -0.2061 | |
| 171 | P | A | -0.7411 | |
| 172 | G | A | -1.0305 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | -1.0629 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | G | A | -0.5903 | |
| 182 | G | A | -0.6494 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | H | A | -0.3560 | |
| 186 | V | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -1.3645 | |
| 190 | I | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | R | A | -2.3547 | |
| 193 | A | A | -1.3050 | |
| 194 | V | A | -0.5334 | |
| 195 | S | A | -1.0461 | |
| 196 | A | A | 0.0000 | |
| 197 | A | A | -1.7723 | |
| 198 | R | A | -2.7587 | |
| 199 | V | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | D | A | -1.0536 | |
| 204 | L | A | -0.3925 | |
| 205 | D | A | -2.3111 | |
| 206 | D | A | -2.8804 | |
| 207 | D | A | -2.8813 | |
| 208 | R | A | -2.3363 | |
| 209 | L | A | 0.0000 | |
| 210 | A | A | -1.7140 | |
| 211 | L | A | -0.7952 | |
| 212 | A | A | 0.0000 | |
| 213 | R | A | -2.4694 | |
| 214 | E | A | -2.1528 | |
| 215 | V | A | -1.1069 | |
| 216 | G | A | -1.8574 | |
| 217 | A | A | 0.0000 | |
| 218 | D | A | -2.7796 | |
| 219 | A | A | -1.3460 | |
| 220 | A | A | -1.0213 | |
| 221 | V | A | -0.5558 | |
| 222 | K | A | -1.9640 | |
| 223 | S | A | -1.0015 | |
| 224 | G | A | -0.6994 | |
| 225 | A | A | -0.7362 | |
| 226 | G | A | -1.3597 | |
| 227 | A | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | D | A | -2.6199 | |
| 230 | A | A | -1.7253 | |
| 231 | I | A | 0.0000 | |
| 232 | R | A | -2.4457 | |
| 233 | E | A | -2.5907 | |
| 234 | L | A | -0.6796 | |
| 235 | T | A | -1.4579 | |
| 236 | G | A | -1.5637 | |
| 237 | G | A | -2.0521 | |
| 238 | E | A | -2.0246 | |
| 239 | G | A | -1.3555 | |
| 240 | A | A | 0.0000 | |
| 241 | T | A | -0.1200 | |
| 242 | A | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | F | A | 0.7406 | |
| 247 | V | A | 0.8355 | |
| 248 | G | A | 0.0000 | |
| 249 | A | A | -0.7679 | |
| 250 | Q | A | -1.9431 | |
| 251 | S | A | -1.1303 | |
| 252 | T | A | -0.5467 | |
| 253 | I | A | 0.0000 | |
| 254 | D | A | -1.7199 | |
| 255 | T | A | -1.4098 | |
| 256 | A | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | Q | A | -1.4128 | |
| 259 | V | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | A | A | -0.3364 | |
| 262 | I | A | 0.7320 | |
| 263 | D | A | -0.8090 | |
| 264 | G | A | 0.0000 | |
| 265 | H | A | 0.1115 | |
| 266 | I | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | V | A | 0.6350 | |
| 269 | V | A | 0.0000 | |
| 270 | G | A | 0.4234 | |
| 271 | I | A | 0.2010 | |
| 272 | H | A | -0.9004 | |
| 273 | A | A | -1.0108 | |
| 274 | G | A | -1.2255 | |
| 275 | A | A | -1.0932 | |
| 276 | H | A | -1.8856 | |
| 277 | A | A | -1.2266 | |
| 278 | K | A | -1.3791 | |
| 279 | S | A | -0.5779 | mutated: VS279A |
| 280 | G | A | 0.1861 | |
| 281 | Y | A | 1.3778 | mutated: FY281A |
| 282 | F | A | 1.1515 | |
| 283 | M | A | 0.6763 | |
| 284 | T | A | 0.5209 | mutated: IT284A |
| 285 | P | A | 0.6038 | |
| 286 | F | A | 0.6419 | |
| 287 | G | A | -0.0578 | |
| 288 | A | A | 0.1000 | |
| 289 | S | A | 0.4153 | |
| 290 | V | A | 1.3499 | |
| 291 | V | A | 0.6897 | |
| 292 | T | A | 0.4902 | |
| 293 | P | A | 0.0000 | |
| 294 | Y | A | 1.4394 | |
| 295 | W | A | 0.6308 | |
| 296 | G | A | 0.0000 | |
| 297 | T | A | 0.0000 | |
| 298 | R | A | -1.6174 | |
| 299 | S | A | -1.2126 | |
| 300 | E | A | -1.4725 | |
| 301 | L | A | 0.0000 | |
| 302 | M | A | -0.9307 | |
| 303 | D | A | -1.6982 | |
| 304 | V | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | D | A | -3.0493 | |
| 307 | L | A | -2.0786 | |
| 308 | A | A | 0.0000 | |
| 309 | R | A | -3.5786 | |
| 310 | A | A | -2.1400 | |
| 311 | G | A | -2.3562 | |
| 312 | R | A | -3.0440 | |
| 313 | L | A | 0.0000 | |
| 314 | D | A | -1.8454 | |
| 315 | I | A | -0.8294 | |
| 316 | H | A | -1.4369 | |
| 317 | T | A | -1.2910 | |
| 318 | E | A | -1.4869 | |
| 319 | T | A | -0.3933 | |
| 320 | F | A | -0.0243 | |
| 321 | T | A | -0.7145 | |
| 322 | L | A | 0.0000 | |
| 323 | D | A | -1.9990 | |
| 324 | E | A | -2.0610 | |
| 325 | G | A | 0.0000 | |
| 326 | P | A | -1.6625 | |
| 327 | T | A | -2.1413 | |
| 328 | A | A | -2.1184 | |
| 329 | Y | A | -2.5271 | |
| 330 | R | A | -4.2392 | |
| 331 | R | A | -4.0222 | |
| 332 | L | A | -3.2088 | |
| 333 | R | A | -4.1386 | |
| 334 | E | A | -4.0499 | |
| 335 | G | A | -3.1135 | |
| 336 | S | A | -2.6457 | |
| 337 | I | A | 0.0000 | |
| 338 | R | A | -2.4574 | |
| 339 | G | A | -1.3338 | |
| 340 | R | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | -0.1014 | |
| 345 | P | A | -0.5129 | |
| 346 | G | A | -0.6371 |
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