| Chain sequence(s) |
A: MELEADYILVGGGTAACVLANRLSADGRNRVLVLEAGPGPRVVRRPPAAITRLFRSPLDWTEEAFGIYMARGRLLGGSSATNATLYHRGGADITATVRVLDMRGEKLKIITGEVHIAADPAPPTVMQDKGVNTVAIDPRAEVRAAAVTKVNIDEGTVEAEGLTVRAKYVILCAGAVHTPFLLKHSGVTTGDGTADDLQVRFVPATGRTFLVFNVVVRNGAITGSGANQAAVLAAAAALFAAAENPPADPFARRLRVQLYATLVYAVLQGVTLATPGVDSIIVNIAVDLGEEVRIHSSNAITGTGVGVDASVVPHATVGQTGAPVVMIAERAAALLTGEEYVEVR
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 (00:04:31)
[INFO] Main: Simulation completed successfully. (00:04:33)
|
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 | 0.1691 | |
| 2 | E | A | -1.7803 | |
| 3 | L | A | -1.4063 | |
| 4 | E | A | -2.5860 | |
| 5 | A | A | 0.0000 | |
| 6 | D | A | -1.6990 | |
| 7 | Y | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | L | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | G | A | -0.0713 | |
| 12 | G | A | 0.0000 | |
| 13 | G | A | -0.1587 | |
| 14 | T | A | 0.1169 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | V | A | 0.0441 | |
| 19 | L | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | N | A | -1.1144 | |
| 22 | R | A | -0.9464 | |
| 23 | L | A | 0.0000 | |
| 24 | S | A | 0.0000 | |
| 25 | A | A | -1.9019 | |
| 26 | D | A | -2.8969 | |
| 27 | G | A | -2.7951 | |
| 28 | R | A | -3.0864 | |
| 29 | N | A | -2.2201 | |
| 30 | R | A | -2.2557 | |
| 31 | V | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | A | A | -0.3626 | |
| 37 | G | A | 0.0000 | |
| 38 | P | A | -0.7342 | |
| 39 | G | A | -0.8958 | |
| 40 | P | A | -0.8006 | |
| 41 | R | A | -1.2719 | |
| 42 | V | A | 0.2867 | |
| 43 | V | A | 0.0000 | |
| 44 | R | A | -2.5447 | |
| 45 | R | A | -2.6094 | |
| 46 | P | A | 0.0000 | |
| 47 | P | A | -0.7975 | |
| 48 | A | A | -0.9299 | |
| 49 | A | A | -1.4391 | |
| 50 | I | A | -0.9162 | |
| 51 | T | A | -0.8119 | |
| 52 | R | A | -1.9679 | |
| 53 | L | A | -1.0436 | |
| 54 | F | A | -0.5288 | |
| 55 | R | A | -1.8975 | |
| 56 | S | A | -1.0710 | |
| 57 | P | A | -0.5849 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | W | A | -1.0720 | |
| 61 | T | A | -1.7608 | |
| 62 | E | A | -2.7311 | |
| 63 | E | A | -2.6128 | |
| 64 | A | A | -1.3150 | |
| 65 | F | A | 0.0000 | |
| 66 | G | A | -1.4240 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | -1.0577 | |
| 69 | M | A | 0.0000 | |
| 70 | A | A | -0.7338 | |
| 71 | R | A | -0.4909 | |
| 72 | G | A | -0.3282 | |
| 73 | R | A | -0.5842 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | -0.4876 | |
| 79 | S | A | -0.2068 | |
| 80 | A | A | 0.0000 | |
| 81 | T | A | -0.4875 | |
| 82 | N | A | -0.2704 | |
| 83 | A | A | -0.1879 | |
| 84 | T | A | 0.0000 | |
| 85 | L | A | 0.6768 | |
| 86 | Y | A | 0.7547 | |
| 87 | H | A | 0.0690 | |
| 88 | R | A | -0.4685 | |
| 89 | G | A | 0.0000 | |
| 90 | G | A | -0.7144 | |
| 91 | A | A | -1.0110 | |
| 92 | D | A | -2.0669 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | -1.3579 | |
| 95 | A | A | 0.0000 | |
| 96 | T | A | -1.0102 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -0.4565 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | D | A | 0.0000 | |
| 102 | M | A | 0.0000 | |
| 103 | R | A | -3.1728 | |
| 104 | G | A | -3.3035 | |
| 105 | E | A | -3.9719 | |
| 106 | K | A | -3.8623 | |
| 107 | L | A | -2.5614 | |
| 108 | K | A | -2.1445 | |
| 109 | I | A | -0.2641 | |
| 110 | I | A | 0.2886 | |
| 111 | T | A | -0.3223 | |
| 112 | G | A | -0.7706 | |
| 113 | E | A | -2.1330 | |
| 114 | V | A | 0.0000 | |
| 115 | H | A | -1.8291 | |
| 116 | I | A | 0.0000 | |
| 117 | A | A | -1.1221 | |
| 118 | A | A | -1.1319 | |
| 119 | D | A | -0.8865 | |
| 120 | P | A | -0.6558 | |
| 121 | A | A | -0.3771 | |
| 122 | P | A | -0.2840 | |
| 123 | P | A | 0.0679 | |
| 124 | T | A | 0.4736 | |
| 125 | V | A | 0.8761 | |
| 126 | M | A | 0.0694 | |
| 127 | Q | A | -1.5496 | |
| 128 | D | A | -2.6734 | |
| 129 | K | A | -2.9387 | |
| 130 | G | A | -2.2812 | |
| 131 | V | A | -1.1745 | |
| 132 | N | A | 0.0000 | |
| 133 | T | A | 0.0898 | |
| 134 | V | A | 0.3804 | |
| 135 | A | A | 0.1689 | |
| 136 | I | A | -0.1558 | |
| 137 | D | A | -0.9167 | |
| 138 | P | A | -1.1477 | |
| 139 | R | A | -2.5879 | |
| 140 | A | A | 0.0000 | |
| 141 | E | A | -0.8367 | |
| 142 | V | A | 0.0515 | |
| 143 | R | A | -0.1753 | |
| 144 | A | A | -0.2823 | |
| 145 | A | A | 0.0000 | |
| 146 | A | A | -0.6893 | |
| 147 | V | A | -0.6009 | |
| 148 | T | A | -0.9731 | |
| 149 | K | A | -1.3712 | |
| 150 | V | A | 0.0000 | |
| 151 | N | A | -1.6446 | |
| 152 | I | A | 0.0000 | |
| 153 | D | A | -3.4077 | |
| 154 | E | A | -3.2112 | |
| 155 | G | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | E | A | -1.5234 | |
| 159 | A | A | 0.0000 | |
| 160 | E | A | -2.1362 | |
| 161 | G | A | -1.3290 | |
| 162 | L | A | -0.9251 | |
| 163 | T | A | -1.2519 | |
| 164 | V | A | 0.0000 | |
| 165 | R | A | -2.1597 | |
| 166 | A | A | 0.0000 | |
| 167 | K | A | -1.9528 | |
| 168 | Y | A | -0.7940 | |
| 169 | V | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | A | A | -0.0326 | |
| 174 | G | A | -0.1614 | |
| 175 | A | A | -0.0816 | |
| 176 | V | A | 0.0000 | |
| 177 | H | A | -0.0464 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | F | A | 0.0600 | |
| 181 | L | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | K | A | -1.0423 | |
| 184 | H | A | -1.4622 | |
| 185 | S | A | 0.0000 | |
| 186 | G | A | -0.6519 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | -0.1842 | |
| 189 | T | A | 0.0000 | |
| 190 | G | A | -1.1859 | |
| 191 | D | A | -2.2594 | |
| 192 | G | A | -1.1842 | |
| 193 | T | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | D | A | -0.9399 | |
| 196 | D | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | Q | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -1.1143 | |
| 201 | F | A | 0.0789 | |
| 202 | V | A | 0.2196 | |
| 203 | P | A | -0.1841 | |
| 204 | A | A | 0.0731 | |
| 205 | T | A | -0.4014 | |
| 206 | G | A | -1.2287 | |
| 207 | R | A | -1.9717 | |
| 208 | T | A | 0.0000 | |
| 209 | F | A | -0.5117 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | R | A | -1.5920 | |
| 218 | N | A | -1.7396 | |
| 219 | G | A | 0.0000 | |
| 220 | A | A | -0.4855 | |
| 221 | I | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | G | A | -0.6031 | |
| 224 | S | A | 0.0000 | |
| 225 | G | A | -1.0052 | |
| 226 | A | A | 0.0000 | |
| 227 | N | A | 0.0000 | |
| 228 | Q | A | -1.1213 | |
| 229 | A | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | L | A | 0.2032 | |
| 233 | A | A | 0.0000 | |
| 234 | A | A | 0.3830 | |
| 235 | A | A | 0.0000 | |
| 236 | A | A | 0.2901 | |
| 237 | A | A | 0.7209 | |
| 238 | L | A | 1.0733 | |
| 239 | F | A | 0.0000 | |
| 240 | A | A | -0.3862 | |
| 241 | A | A | -0.1966 | |
| 242 | A | A | -0.7350 | |
| 243 | E | A | -2.2593 | |
| 244 | N | A | -2.2742 | |
| 245 | P | A | -1.7599 | |
| 246 | P | A | -1.2301 | |
| 247 | A | A | -0.6532 | |
| 248 | D | A | -0.8741 | |
| 249 | P | A | -0.1277 | |
| 250 | F | A | 1.1756 | |
| 251 | A | A | -0.0557 | |
| 252 | R | A | -0.8992 | |
| 253 | R | A | -0.1993 | |
| 254 | L | A | 0.5272 | |
| 255 | R | A | -0.3126 | |
| 256 | V | A | 0.3024 | |
| 257 | Q | A | -0.0796 | |
| 258 | L | A | 1.4723 | |
| 259 | Y | A | 1.5631 | |
| 260 | A | A | 0.0000 | |
| 261 | T | A | 1.5378 | |
| 262 | L | A | 2.6266 | |
| 263 | V | A | 2.0870 | |
| 264 | Y | A | 1.7303 | |
| 265 | A | A | 1.6995 | |
| 266 | V | A | 2.6015 | |
| 267 | L | A | 1.6284 | |
| 268 | Q | A | 0.6747 | |
| 269 | G | A | 1.0654 | |
| 270 | V | A | 1.2991 | |
| 271 | T | A | 0.0000 | |
| 272 | L | A | 0.9935 | |
| 273 | A | A | 0.5543 | |
| 274 | T | A | 0.2897 | |
| 275 | P | A | -0.2482 | |
| 276 | G | A | -0.6750 | |
| 277 | V | A | -0.5191 | |
| 278 | D | A | -1.9821 | |
| 279 | S | A | -0.9004 | |
| 280 | I | A | 0.2617 | |
| 281 | I | A | 1.0061 | |
| 282 | V | A | 0.5135 | |
| 283 | N | A | -0.5713 | |
| 284 | I | A | 0.0128 | |
| 285 | A | A | -0.2866 | |
| 286 | V | A | -0.2608 | |
| 287 | D | A | -1.5013 | |
| 288 | L | A | -0.9429 | |
| 289 | G | A | -1.8102 | |
| 290 | E | A | -3.2150 | |
| 291 | E | A | -2.9191 | |
| 292 | V | A | -1.5930 | |
| 293 | R | A | -1.7041 | |
| 294 | I | A | 0.7603 | |
| 295 | H | A | -0.0096 | |
| 296 | S | A | -0.0174 | |
| 297 | S | A | -0.0668 | |
| 298 | N | A | 0.0000 | |
| 299 | A | A | 0.8359 | |
| 300 | I | A | 1.1296 | |
| 301 | T | A | 0.0000 | |
| 302 | G | A | -0.1499 | |
| 303 | T | A | -0.7293 | |
| 304 | G | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | A | A | -0.0347 | |
| 310 | S | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | P | A | -0.8387 | |
| 314 | H | A | -0.6884 | |
| 315 | A | A | 0.0000 | |
| 316 | T | A | 0.0000 | |
| 317 | V | A | -0.2158 | |
| 318 | G | A | -0.1648 | |
| 319 | Q | A | -0.3591 | |
| 320 | T | A | -0.1676 | |
| 321 | G | A | -0.0300 | |
| 322 | A | A | 0.1615 | |
| 323 | P | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | V | A | 0.4136 | |
| 326 | M | A | -0.2551 | |
| 327 | I | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | E | A | -0.7640 | |
| 330 | R | A | -1.1972 | |
| 331 | A | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | L | A | -0.3484 | |
| 335 | L | A | 0.1170 | |
| 336 | T | A | -0.9887 | |
| 337 | G | A | -1.4371 | |
| 338 | E | A | -2.4768 | |
| 339 | E | A | -2.3675 | |
| 340 | Y | A | -0.7157 | |
| 341 | V | A | 0.4356 | |
| 342 | E | A | -0.8823 | |
| 343 | V | A | 0.5239 | |
| 344 | R | A | -1.2725 |
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