| Chain sequence(s) |
A: TNNIVVIGAGVSGLTTAYLLSKNAANKITVAAKHMPGDYDIEYCSPWAGANYNPLGPANSFHAQCERDTWPVLEELAKNYPEAGIHFQKTVRYNREKDRLSATGQWFAELLKKDPWYKDVVPDFREIPSDQLAPGIDNGQTFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVADAANAHHSGQKADLVVNCTGLSSKKLGGVMDDTLHPARGQIVVVRNDPGLMCLISGTDDGEDERVYMMTRAAGGGTILGGSYQKDNWDPEPDPNLATRIMKRCIELCPSLVKKGQGIEGLDVIRHGVGLRPVRDGGPRVEKEKIEGVWVVHNYGHGGFGYQASYGCAEAAVKLVEEALR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FR63A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.919368 kcal/mol |
| 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 (00:01:36)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:50)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:28)
[INFO] Main: Simulation completed successfully. (00:03:29)
|
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 | |
| 3 | T | A | -0.6730 | |
| 4 | N | A | -1.1409 | |
| 5 | N | A | -1.7885 | |
| 6 | I | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | G | A | -0.4451 | |
| 11 | A | A | 0.0000 | |
| 12 | G | A | -0.0413 | |
| 13 | V | A | 0.0000 | |
| 14 | S | A | -0.0246 | |
| 15 | G | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | T | A | 0.0000 | |
| 18 | T | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | Y | A | -0.7060 | |
| 21 | L | A | -0.5227 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | -1.7332 | |
| 24 | K | A | -2.0262 | |
| 25 | N | A | -1.5535 | |
| 26 | A | A | -1.0264 | |
| 27 | A | A | -0.7602 | |
| 28 | N | A | -1.2118 | |
| 29 | K | A | -1.2879 | |
| 30 | I | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | K | A | -1.3774 | |
| 36 | H | A | -1.0722 | |
| 37 | M | A | -0.7466 | |
| 38 | P | A | -0.0781 | |
| 39 | G | A | -0.3911 | |
| 40 | D | A | -0.2481 | |
| 41 | Y | A | 0.6005 | |
| 42 | D | A | -0.0518 | |
| 43 | I | A | 0.0531 | |
| 44 | E | A | -0.5273 | |
| 45 | Y | A | 0.0000 | |
| 46 | C | A | 0.1433 | |
| 47 | S | A | 0.0000 | |
| 48 | P | A | 0.0000 | |
| 49 | W | A | 0.3560 | |
| 50 | A | A | -0.0270 | |
| 51 | G | A | -0.0577 | |
| 52 | A | A | 0.0000 | |
| 53 | N | A | -0.1562 | |
| 54 | Y | A | 0.0000 | |
| 55 | N | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | L | A | -0.0583 | |
| 58 | G | A | 0.0000 | |
| 59 | P | A | -1.1534 | |
| 60 | A | A | -1.3557 | |
| 61 | N | A | -2.0372 | |
| 62 | S | A | -1.9241 | |
| 63 | R | A | -2.6017 | mutated: FR63A |
| 64 | H | A | -1.9818 | |
| 65 | A | A | 0.0000 | |
| 66 | Q | A | -3.1216 | |
| 67 | C | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | R | A | -2.8794 | |
| 70 | D | A | -2.9736 | |
| 71 | T | A | 0.0000 | |
| 72 | W | A | 0.0000 | |
| 73 | P | A | -1.2327 | |
| 74 | V | A | -0.8417 | |
| 75 | L | A | 0.0000 | |
| 76 | E | A | -1.4641 | |
| 77 | E | A | -2.2584 | |
| 78 | L | A | 0.0000 | |
| 79 | A | A | -1.7390 | |
| 80 | K | A | -2.6643 | |
| 81 | N | A | -2.5238 | |
| 82 | Y | A | -1.4761 | |
| 83 | P | A | -1.5809 | |
| 84 | E | A | -1.7884 | |
| 85 | A | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | H | A | -0.4620 | |
| 89 | F | A | -0.0999 | |
| 90 | Q | A | -0.4858 | |
| 91 | K | A | -1.3145 | |
| 92 | T | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | R | A | 0.0000 | |
| 95 | Y | A | -0.2004 | |
| 96 | N | A | 0.0000 | |
| 97 | R | A | -2.5997 | |
| 98 | E | A | -3.9168 | |
| 99 | K | A | -3.9800 | |
| 100 | D | A | -3.9871 | |
| 101 | R | A | -3.7030 | |
| 102 | L | A | -2.3794 | |
| 103 | S | A | -1.4403 | |
| 104 | A | A | -0.4777 | |
| 105 | T | A | -0.3260 | |
| 106 | G | A | -0.7964 | |
| 107 | Q | A | -1.4294 | |
| 108 | W | A | -0.7573 | |
| 109 | F | A | -0.0313 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.8245 | |
| 112 | L | A | -1.1744 | |
| 113 | L | A | 0.0000 | |
| 114 | K | A | -2.6034 | |
| 115 | K | A | -3.3644 | |
| 116 | D | A | -3.5345 | |
| 117 | P | A | 0.0000 | |
| 118 | W | A | -1.4688 | |
| 119 | Y | A | 0.0000 | |
| 120 | K | A | -2.5516 | |
| 121 | D | A | -2.2917 | |
| 122 | V | A | -1.4766 | |
| 123 | V | A | 0.0000 | |
| 124 | P | A | -1.4463 | |
| 125 | D | A | -2.5454 | |
| 126 | F | A | -2.3380 | |
| 127 | R | A | -3.3413 | |
| 128 | E | A | -3.4101 | |
| 129 | I | A | -1.7871 | |
| 130 | P | A | -1.7133 | |
| 131 | S | A | -1.7893 | |
| 132 | D | A | -2.3648 | |
| 133 | Q | A | -2.1527 | |
| 134 | L | A | -1.3236 | |
| 135 | A | A | -0.6937 | |
| 136 | P | A | -0.7650 | |
| 137 | G | A | -1.3413 | |
| 138 | I | A | -1.6467 | |
| 139 | D | A | -3.0511 | |
| 140 | N | A | -2.0579 | |
| 141 | G | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | T | A | -1.5381 | |
| 144 | F | A | 0.0000 | |
| 145 | T | A | -0.9672 | |
| 146 | S | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | A | A | 0.2091 | |
| 153 | V | A | 0.2875 | |
| 154 | Y | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | P | A | 0.0419 | |
| 157 | W | A | -0.3290 | |
| 158 | L | A | 0.0000 | |
| 159 | V | A | -0.4776 | |
| 160 | G | A | -1.4028 | |
| 161 | Q | A | -1.4404 | |
| 162 | C | A | 0.0000 | |
| 163 | R | A | -2.6788 | |
| 164 | K | A | -2.8742 | |
| 165 | N | A | -2.4621 | |
| 166 | G | A | -1.9944 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | -0.4455 | |
| 169 | F | A | -0.5013 | |
| 170 | K | A | -1.3850 | |
| 171 | R | A | -2.1425 | |
| 172 | A | A | -0.5786 | |
| 173 | V | A | 0.4673 | |
| 174 | F | A | -0.2562 | |
| 175 | K | A | -1.7844 | |
| 176 | H | A | -1.1901 | |
| 177 | V | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | D | A | -2.1404 | |
| 180 | A | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | N | A | -2.6066 | |
| 183 | A | A | -1.7785 | |
| 184 | H | A | 0.0000 | |
| 185 | H | A | -1.1343 | |
| 186 | S | A | -1.3356 | |
| 187 | G | A | -1.8145 | |
| 188 | Q | A | -2.8069 | |
| 189 | K | A | -3.3997 | |
| 190 | A | A | 0.0000 | |
| 191 | D | A | -2.1379 | |
| 192 | L | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | N | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | T | A | -0.3314 | |
| 198 | G | A | -0.2142 | |
| 199 | L | A | -0.4849 | |
| 200 | S | A | -0.6925 | |
| 201 | S | A | 0.0000 | |
| 202 | K | A | -1.5004 | |
| 203 | K | A | -2.0929 | |
| 204 | L | A | 0.0000 | |
| 205 | G | A | -0.9985 | |
| 206 | G | A | -0.7108 | |
| 207 | V | A | -0.2769 | |
| 208 | M | A | -0.2718 | |
| 209 | D | A | -1.1556 | |
| 210 | D | A | -2.1197 | |
| 211 | T | A | -1.5474 | |
| 212 | L | A | 0.0000 | |
| 213 | H | A | -1.9305 | |
| 214 | P | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | G | A | -0.4293 | |
| 218 | Q | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -2.7845 | |
| 224 | N | A | -2.2706 | |
| 225 | D | A | -2.5374 | |
| 226 | P | A | -1.3430 | |
| 227 | G | A | -1.2208 | |
| 228 | L | A | -0.7013 | |
| 229 | M | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | I | A | 0.1226 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | D | A | -2.8565 | |
| 237 | D | A | -2.2906 | |
| 238 | G | A | -2.1316 | |
| 239 | E | A | -2.4415 | |
| 240 | D | A | -1.8437 | |
| 241 | E | A | 0.0000 | |
| 242 | R | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | M | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | A | A | -0.4724 | |
| 251 | G | A | -1.0310 | |
| 252 | G | A | -0.5442 | |
| 253 | G | A | -1.0360 | |
| 254 | T | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | S | A | 0.0000 | |
| 260 | Y | A | -1.1080 | |
| 261 | Q | A | -1.9482 | |
| 262 | K | A | -2.9752 | |
| 263 | D | A | -2.8324 | |
| 264 | N | A | -1.8212 | |
| 265 | W | A | -0.7833 | |
| 266 | D | A | -1.3461 | |
| 267 | P | A | -1.3641 | |
| 268 | E | A | -2.1986 | |
| 269 | P | A | -1.7535 | |
| 270 | D | A | -1.6722 | |
| 271 | P | A | -1.4916 | |
| 272 | N | A | -1.7425 | |
| 273 | L | A | -1.2471 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | -1.2028 | |
| 276 | R | A | -1.7180 | |
| 277 | I | A | 0.0000 | |
| 278 | M | A | 0.0000 | |
| 279 | K | A | -1.7548 | |
| 280 | R | A | -1.7857 | |
| 281 | C | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | E | A | -2.0727 | |
| 284 | L | A | -0.8541 | |
| 285 | C | A | 0.0000 | |
| 286 | P | A | -1.4785 | |
| 287 | S | A | -1.4562 | |
| 288 | L | A | 0.0000 | |
| 289 | V | A | -2.0865 | |
| 290 | K | A | -2.8585 | |
| 291 | K | A | -2.9862 | |
| 292 | G | A | -2.0648 | |
| 293 | Q | A | -2.2555 | |
| 294 | G | A | -1.7729 | |
| 295 | I | A | -1.2514 | |
| 296 | E | A | -2.0031 | |
| 297 | G | A | -1.9628 | |
| 298 | L | A | 0.0000 | |
| 299 | D | A | -2.2859 | |
| 300 | V | A | -0.8187 | |
| 301 | I | A | -0.2124 | |
| 302 | R | A | -1.0269 | |
| 303 | H | A | -0.8753 | |
| 304 | G | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | R | A | -0.3757 | |
| 309 | P | A | -0.3451 | |
| 310 | V | A | -1.0233 | |
| 311 | R | A | -1.6283 | |
| 312 | D | A | -1.9992 | |
| 313 | G | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | P | A | -0.5224 | |
| 316 | R | A | -0.3567 | |
| 317 | V | A | -0.4742 | |
| 318 | E | A | -1.7138 | |
| 319 | K | A | -2.3544 | |
| 320 | E | A | -2.5183 | |
| 321 | K | A | -1.1234 | |
| 322 | I | A | 0.4939 | |
| 323 | E | A | -1.5700 | |
| 324 | G | A | -1.3045 | |
| 325 | V | A | 0.0000 | |
| 326 | W | A | -1.3306 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | H | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | H | A | 0.0000 | |
| 334 | G | A | -0.4720 | |
| 335 | G | A | -0.2818 | |
| 336 | F | A | 0.0000 | |
| 337 | G | A | -0.1693 | |
| 338 | Y | A | 0.0000 | |
| 339 | Q | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | Y | A | -0.4894 | |
| 343 | G | A | -1.5264 | |
| 344 | C | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | E | A | -1.5031 | |
| 347 | A | A | -0.9903 | |
| 348 | A | A | 0.0000 | |
| 349 | V | A | -1.2793 | |
| 350 | K | A | -2.3473 | |
| 351 | L | A | -1.5102 | |
| 352 | V | A | 0.0000 | |
| 353 | E | A | -2.1686 | |
| 354 | E | A | -2.9197 | |
| 355 | A | A | -2.1598 | |
| 356 | L | A | -1.4071 | |
| 357 | R | A | -2.2674 |
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