| Chain sequence(s) |
A: MYSKKIKIGINGFGRIGKLVFKAAFFNKKIEVVAINDLMDINYIAYMIKYDSVHKNKFKEIKIEDNNLILNGKKIKILSKKNPSDINWKKLDIECVVESTGLFLTKEQASKHLCDGYGTKKVVISAPPKDDSIPMFVMGVNNKNYNNQKIVSTASCTTNCLAPLIKVIHDNFVLIEGLMTTIHASTATQKVVDGPSIRDWRAGRSSLVNIIPSSTGAAKAVGKIIPELNGKITGMAFRVPVVNVSVVDVTVRIKNKTNYSYIVKCIKKYSKNELKGILDYTNEEVVSTDFSGNKNTCIFDINASIMLNPYFFKLIAWYDNETAYSYKLVNFIEYMFK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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] Analysis: Starting Aggrescan3D on folded.pdb (00:05:48)
[INFO] Main: Simulation completed successfully. (00:05:50)
|
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 | 1.4080 | |
| 2 | Y | A | 0.7995 | |
| 3 | S | A | -0.7604 | |
| 4 | K | A | -2.1411 | |
| 5 | K | A | -2.7051 | |
| 6 | I | A | -1.7891 | |
| 7 | K | A | -1.5672 | |
| 8 | I | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | N | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | G | A | -0.5244 | |
| 15 | R | A | -0.6671 | |
| 16 | I | A | -0.1245 | |
| 17 | G | A | 0.0000 | |
| 18 | K | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | K | A | -0.2138 | |
| 23 | A | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | F | A | 0.1058 | |
| 27 | N | A | -1.1744 | |
| 28 | K | A | -2.2715 | |
| 29 | K | A | -2.7049 | |
| 30 | I | A | 0.0000 | |
| 31 | E | A | -1.7612 | |
| 32 | V | A | 0.0000 | |
| 33 | V | A | -0.8600 | |
| 34 | A | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | N | A | 0.0000 | |
| 37 | D | A | -0.2373 | |
| 38 | L | A | 0.4985 | |
| 39 | M | A | 0.0108 | |
| 40 | D | A | -1.3682 | |
| 41 | I | A | -1.1291 | |
| 42 | N | A | -1.0142 | |
| 43 | Y | A | 0.2283 | |
| 44 | I | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | Y | A | 1.1785 | |
| 47 | M | A | 0.6699 | |
| 48 | I | A | 0.0000 | |
| 49 | K | A | -0.8591 | |
| 50 | Y | A | 0.5367 | |
| 51 | D | A | -0.4235 | |
| 52 | S | A | -0.0961 | |
| 53 | V | A | -0.0302 | |
| 54 | H | A | 0.0000 | |
| 55 | K | A | -2.4285 | |
| 56 | N | A | -2.5953 | |
| 57 | K | A | -3.0080 | |
| 58 | F | A | 0.0000 | |
| 59 | K | A | -2.7053 | |
| 60 | E | A | -2.2634 | |
| 61 | I | A | -1.1358 | |
| 62 | K | A | -2.0139 | |
| 63 | I | A | -1.8340 | |
| 64 | E | A | -3.1976 | |
| 65 | D | A | -3.2612 | |
| 66 | N | A | -3.0796 | |
| 67 | N | A | -2.6133 | |
| 68 | L | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | N | A | -2.1640 | |
| 72 | G | A | -2.1370 | |
| 73 | K | A | -2.6903 | |
| 74 | K | A | -3.0919 | |
| 75 | I | A | 0.0000 | |
| 76 | K | A | -1.4910 | |
| 77 | I | A | 0.0000 | |
| 78 | L | A | -0.7767 | |
| 79 | S | A | -1.0610 | |
| 80 | K | A | -2.1832 | |
| 81 | K | A | -2.6615 | |
| 82 | N | A | -2.9436 | |
| 83 | P | A | 0.0000 | |
| 84 | S | A | -2.1142 | |
| 85 | D | A | -2.7679 | |
| 86 | I | A | 0.0000 | |
| 87 | N | A | -2.5783 | |
| 88 | W | A | 0.0000 | |
| 89 | K | A | -3.0846 | |
| 90 | K | A | -2.9254 | |
| 91 | L | A | -2.2107 | |
| 92 | D | A | -2.6177 | |
| 93 | I | A | 0.0000 | |
| 94 | E | A | -1.0919 | |
| 95 | C | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | E | A | 0.0000 | |
| 99 | S | A | 0.0702 | |
| 100 | T | A | 0.2506 | |
| 101 | G | A | 0.4394 | |
| 102 | L | A | 1.3029 | |
| 103 | F | A | -0.0033 | |
| 104 | L | A | -0.5037 | |
| 105 | T | A | -1.6358 | |
| 106 | K | A | -2.4519 | |
| 107 | E | A | -2.5031 | |
| 108 | Q | A | -1.5047 | |
| 109 | A | A | 0.0000 | |
| 110 | S | A | -1.4983 | |
| 111 | K | A | -1.8799 | |
| 112 | H | A | 0.0000 | |
| 113 | L | A | -1.2200 | |
| 114 | C | A | -1.4061 | |
| 115 | D | A | -1.9299 | |
| 116 | G | A | -0.9981 | |
| 117 | Y | A | -0.3939 | |
| 118 | G | A | -1.7684 | |
| 119 | T | A | 0.0000 | |
| 120 | K | A | -2.1832 | |
| 121 | K | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | S | A | -0.0348 | |
| 126 | A | A | -0.0762 | |
| 127 | P | A | -0.8539 | |
| 128 | P | A | -1.3571 | |
| 129 | K | A | -2.2639 | |
| 130 | D | A | -2.6215 | |
| 131 | D | A | -2.7935 | |
| 132 | S | A | -1.6134 | |
| 133 | I | A | 0.0000 | |
| 134 | P | A | -0.9278 | |
| 135 | M | A | -0.5913 | |
| 136 | F | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | M | A | -0.1978 | |
| 139 | G | A | -0.9576 | |
| 140 | V | A | -0.5471 | |
| 141 | N | A | 0.0000 | |
| 142 | N | A | 0.0000 | |
| 143 | K | A | -2.4074 | |
| 144 | N | A | -2.4820 | |
| 145 | Y | A | -2.0269 | |
| 146 | N | A | -2.7017 | |
| 147 | N | A | -2.6093 | |
| 148 | Q | A | -2.1564 | |
| 149 | K | A | -2.4289 | |
| 150 | I | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | S | A | -0.0671 | |
| 156 | C | A | 0.0752 | |
| 157 | T | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | N | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | P | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | K | A | -0.8895 | |
| 167 | V | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | H | A | -1.3927 | |
| 170 | D | A | -1.9988 | |
| 171 | N | A | -1.4843 | |
| 172 | F | A | 0.0000 | |
| 173 | V | A | -1.3806 | |
| 174 | L | A | 0.0000 | |
| 175 | I | A | -1.0857 | |
| 176 | E | A | -2.0953 | |
| 177 | G | A | 0.0000 | |
| 178 | L | A | 0.8490 | |
| 179 | M | A | 0.0000 | |
| 180 | T | A | 0.5638 | |
| 181 | T | A | 0.0000 | |
| 182 | I | A | 1.1849 | |
| 183 | H | A | 0.8771 | |
| 184 | A | A | 0.0000 | |
| 185 | S | A | 1.1979 | |
| 186 | T | A | 0.1079 | |
| 187 | A | A | -0.0660 | |
| 188 | T | A | -0.0306 | |
| 189 | Q | A | 0.0000 | |
| 190 | K | A | 0.1955 | |
| 191 | V | A | 2.3817 | |
| 192 | V | A | 1.7869 | |
| 193 | D | A | -1.1469 | |
| 194 | G | A | -0.5023 | |
| 195 | P | A | -0.3516 | |
| 196 | S | A | -0.1132 | |
| 197 | I | A | 1.1005 | |
| 198 | R | A | -0.9568 | |
| 199 | D | A | -0.6096 | |
| 200 | W | A | 0.2240 | |
| 201 | R | A | -0.7845 | |
| 202 | A | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | R | A | -0.4950 | |
| 205 | S | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | L | A | 3.4238 | |
| 208 | V | A | 3.1679 | |
| 209 | N | A | 1.8422 | |
| 210 | I | A | 2.4600 | |
| 211 | I | A | 0.0000 | |
| 212 | P | A | 0.4661 | |
| 213 | S | A | 0.0000 | |
| 214 | S | A | -0.2349 | |
| 215 | T | A | -0.4925 | |
| 216 | G | A | -1.0737 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | K | A | -2.6207 | |
| 220 | A | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | K | A | -2.6566 | |
| 224 | I | A | 0.0000 | |
| 225 | I | A | -1.2478 | |
| 226 | P | A | -2.0544 | |
| 227 | E | A | -2.5589 | |
| 228 | L | A | 0.0000 | |
| 229 | N | A | -3.1701 | |
| 230 | G | A | -2.4553 | |
| 231 | K | A | -2.1454 | |
| 232 | I | A | 0.0000 | |
| 233 | T | A | -0.7858 | |
| 234 | G | A | 0.0679 | |
| 235 | M | A | 0.4937 | |
| 236 | A | A | 0.0000 | |
| 237 | F | A | 1.1921 | |
| 238 | R | A | 0.8810 | |
| 239 | V | A | 1.8696 | |
| 240 | P | A | 1.9974 | |
| 241 | V | A | 1.5844 | |
| 242 | V | A | 2.1493 | |
| 243 | N | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | V | A | 0.6059 | |
| 247 | V | A | 0.0000 | |
| 248 | D | A | 0.0379 | |
| 249 | V | A | 0.0000 | |
| 250 | T | A | -0.0002 | |
| 251 | V | A | 0.0000 | |
| 252 | R | A | -1.4825 | |
| 253 | I | A | 0.0000 | |
| 254 | K | A | -2.5895 | |
| 255 | N | A | -2.5830 | |
| 256 | K | A | -2.7221 | |
| 257 | T | A | -1.6677 | |
| 258 | N | A | -1.0694 | |
| 259 | Y | A | 0.1351 | |
| 260 | S | A | -0.3714 | |
| 261 | Y | A | -0.2332 | |
| 262 | I | A | 0.0000 | |
| 263 | V | A | -0.7668 | |
| 264 | K | A | -1.7894 | |
| 265 | C | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | K | A | -2.4519 | |
| 268 | K | A | -3.2307 | |
| 269 | Y | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | K | A | -3.7079 | |
| 272 | N | A | -3.8160 | |
| 273 | E | A | -3.4436 | |
| 274 | L | A | 0.0000 | |
| 275 | K | A | -3.6772 | |
| 276 | G | A | -2.2339 | |
| 277 | I | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | D | A | -1.5953 | |
| 280 | Y | A | -0.6219 | |
| 281 | T | A | -1.5636 | |
| 282 | N | A | -2.6633 | |
| 283 | E | A | -3.1247 | |
| 284 | E | A | -2.7843 | |
| 285 | V | A | -1.0066 | |
| 286 | V | A | 0.8276 | |
| 287 | S | A | 0.6043 | |
| 288 | T | A | -0.1325 | |
| 289 | D | A | -1.4978 | |
| 290 | F | A | 0.0000 | |
| 291 | S | A | -0.9853 | |
| 292 | G | A | -1.1534 | |
| 293 | N | A | -1.3306 | |
| 294 | K | A | -1.6142 | |
| 295 | N | A | -1.3179 | |
| 296 | T | A | 0.0000 | |
| 297 | C | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | D | A | 0.0000 | |
| 301 | I | A | -0.8444 | |
| 302 | N | A | -1.6935 | |
| 303 | A | A | -0.7292 | |
| 304 | S | A | 0.0000 | |
| 305 | I | A | 1.5240 | |
| 306 | M | A | 1.3712 | |
| 307 | L | A | 1.7048 | |
| 308 | N | A | 0.1235 | |
| 309 | P | A | -1.0388 | |
| 310 | Y | A | -0.7898 | |
| 311 | F | A | 0.0897 | |
| 312 | F | A | 0.0000 | |
| 313 | K | A | 0.3531 | |
| 314 | L | A | 0.0000 | |
| 315 | I | A | 0.1305 | |
| 316 | A | A | 0.0000 | |
| 317 | W | A | 0.2801 | |
| 318 | Y | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | N | A | 0.0000 | |
| 321 | E | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | Y | A | -0.2032 | |
| 327 | K | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | N | A | -0.5846 | |
| 331 | F | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | E | A | -0.9257 | |
| 334 | Y | A | -0.6346 | |
| 335 | M | A | 0.0000 | |
| 336 | F | A | -0.7682 | |
| 337 | K | A | -1.4786 |
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