| Chain sequence(s) |
A: MELEFDYILVGGGTAACVLANRLSADGANRVLVLEAGPGPLTVRRAPAAITRLFRSPLDWTAEEEGIYMARGRLLGGSSATNATLYHRNGRDITATAKVLDMTGDKLEVITMTIHIAATAEPPTVMQDKGVNTVAVSPAAEVLPAAVTKVNIDEGTVEAEGLLARGKYVILCAGAVHTPFLLKHSGVTGGDGTGDDLQVRFVPATGRVILDRVVIIKNGALEGSGEKQAEVLARLAPLLAAAENPSADPFAREERVRLYAALVYAAVEGVSLPTPGVWSIFVNIATDLGPEKKIHSSNAITGTGAGVDASVVPHATVGQTGAPVVMIAERAAALLTGEEYVEVD
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 (00:04:09)
[INFO] Main: Simulation completed successfully. (00:04:12)
|
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 | 0.1902 | |
| 2 | E | A | -1.4548 | |
| 3 | L | A | -1.2034 | |
| 4 | E | A | -2.7210 | |
| 5 | F | A | 0.0000 | |
| 6 | D | A | -1.8839 | |
| 7 | Y | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | L | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | G | A | -0.1216 | |
| 12 | G | A | 0.0000 | |
| 13 | G | A | -0.1997 | |
| 14 | T | A | -0.0665 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | N | A | -0.9457 | |
| 22 | R | A | -1.6232 | |
| 23 | L | A | 0.0000 | |
| 24 | S | A | 0.0000 | |
| 25 | A | A | -1.4241 | |
| 26 | D | A | -2.1998 | |
| 27 | G | A | -1.8178 | |
| 28 | A | A | -1.2904 | |
| 29 | N | A | -1.7826 | |
| 30 | R | A | -2.6370 | |
| 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 | -0.4319 | |
| 37 | G | A | 0.0000 | |
| 38 | P | A | -0.5527 | |
| 39 | G | A | -0.5535 | |
| 40 | P | A | 0.0073 | |
| 41 | L | A | 0.4034 | |
| 42 | T | A | 0.4846 | |
| 43 | V | A | 1.0034 | |
| 44 | R | A | -1.1228 | |
| 45 | R | A | 0.0000 | |
| 46 | A | A | 0.0026 | |
| 47 | P | A | 0.1258 | |
| 48 | A | A | 0.2405 | |
| 49 | A | A | -0.7007 | |
| 50 | I | A | 0.0000 | |
| 51 | T | A | -1.0467 | |
| 52 | R | A | -2.0436 | |
| 53 | L | A | 0.0000 | |
| 54 | F | A | -1.3700 | |
| 55 | R | A | -1.8943 | |
| 56 | S | A | -1.2412 | |
| 57 | P | A | -0.6073 | |
| 58 | L | A | -0.6019 | |
| 59 | D | A | 0.0000 | |
| 60 | W | A | -0.4509 | |
| 61 | T | A | -0.9175 | |
| 62 | A | A | -1.1971 | |
| 63 | E | A | -2.5930 | |
| 64 | E | A | -2.5415 | |
| 65 | E | A | -2.6009 | |
| 66 | G | A | -1.7499 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | R | A | -0.4681 | |
| 72 | G | A | -0.3840 | |
| 73 | R | A | -0.6743 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | -0.3559 | |
| 79 | S | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | T | A | -0.4023 | |
| 82 | N | A | -0.3317 | |
| 83 | A | A | 0.0000 | |
| 84 | T | A | -0.2006 | |
| 85 | L | A | 0.1111 | |
| 86 | Y | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | R | A | -1.1019 | |
| 89 | N | A | 0.0000 | |
| 90 | G | A | 0.0000 | |
| 91 | R | A | -2.7562 | |
| 92 | D | A | -2.8406 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | -1.1342 | |
| 95 | A | A | 0.0000 | |
| 96 | T | A | -0.2669 | |
| 97 | A | A | 0.0000 | |
| 98 | K | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | D | A | -1.0430 | |
| 102 | M | A | -2.1655 | |
| 103 | T | A | -1.6789 | |
| 104 | G | A | -2.5393 | |
| 105 | D | A | -3.5562 | |
| 106 | K | A | -3.7211 | |
| 107 | L | A | -2.3933 | |
| 108 | E | A | -2.3833 | |
| 109 | V | A | -0.8867 | |
| 110 | I | A | 0.1310 | |
| 111 | T | A | -0.1869 | |
| 112 | M | A | 0.0000 | |
| 113 | T | A | -0.3291 | |
| 114 | I | A | 0.0000 | |
| 115 | H | A | -1.4405 | |
| 116 | I | A | 0.0000 | |
| 117 | A | A | -1.4190 | |
| 118 | A | A | -1.7279 | |
| 119 | T | A | -1.1025 | |
| 120 | A | A | -1.2546 | |
| 121 | E | A | -1.0663 | |
| 122 | P | A | 0.0000 | |
| 123 | P | A | -0.0979 | |
| 124 | T | A | 0.2528 | |
| 125 | V | A | 0.3524 | |
| 126 | M | A | 0.3122 | |
| 127 | Q | A | 0.0000 | |
| 128 | D | A | -1.5981 | |
| 129 | K | A | -2.3331 | |
| 130 | G | A | -1.2315 | |
| 131 | V | A | -0.3505 | |
| 132 | N | A | -0.1792 | |
| 133 | T | A | -0.0646 | |
| 134 | V | A | 0.0000 | |
| 135 | A | A | -0.0781 | |
| 136 | V | A | -0.2393 | |
| 137 | S | A | -0.4141 | |
| 138 | P | A | -0.4546 | |
| 139 | A | A | -1.0726 | |
| 140 | A | A | 0.0000 | |
| 141 | E | A | -1.2861 | |
| 142 | V | A | -0.0901 | |
| 143 | L | A | 0.1109 | |
| 144 | P | A | -0.3360 | |
| 145 | A | A | 0.0000 | |
| 146 | A | A | -0.6917 | |
| 147 | V | A | -0.6616 | |
| 148 | T | A | -1.0463 | |
| 149 | K | A | -1.5462 | |
| 150 | V | A | 0.0000 | |
| 151 | N | A | -1.5188 | |
| 152 | I | A | -1.7115 | |
| 153 | D | A | -3.2546 | |
| 154 | E | A | -3.1811 | |
| 155 | G | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | E | A | -1.2581 | |
| 159 | A | A | 0.0000 | |
| 160 | E | A | -2.1239 | |
| 161 | G | A | -1.1213 | |
| 162 | L | A | -0.5052 | |
| 163 | L | A | -0.7863 | |
| 164 | A | A | 0.0000 | |
| 165 | R | A | -2.2193 | |
| 166 | G | A | 0.0000 | |
| 167 | K | A | -1.7613 | |
| 168 | Y | A | -0.6723 | |
| 169 | V | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | A | A | 0.0805 | |
| 174 | G | A | 0.0415 | |
| 175 | A | A | 0.0000 | |
| 176 | V | A | 0.0221 | |
| 177 | H | A | 0.3827 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | F | A | 0.6102 | |
| 181 | L | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | K | A | -2.0911 | |
| 184 | H | A | -1.7198 | |
| 185 | S | A | -1.2707 | |
| 186 | G | A | -1.4660 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | -1.5072 | |
| 189 | G | A | -2.1385 | |
| 190 | G | A | -2.4526 | |
| 191 | D | A | -2.7741 | |
| 192 | G | A | -2.3336 | |
| 193 | T | A | -1.7605 | |
| 194 | G | A | -2.1933 | |
| 195 | D | A | -3.1047 | |
| 196 | D | A | -2.8963 | |
| 197 | L | A | 0.0000 | |
| 198 | Q | A | -2.1063 | |
| 199 | V | A | -1.6307 | |
| 200 | R | A | -2.0698 | |
| 201 | F | A | -0.5078 | |
| 202 | V | A | -0.3042 | |
| 203 | P | A | -0.5517 | |
| 204 | A | A | 0.0000 | |
| 205 | T | A | -0.4930 | |
| 206 | G | A | -0.9181 | |
| 207 | R | A | -1.2829 | |
| 208 | V | A | 0.0000 | |
| 209 | I | A | 0.5274 | |
| 210 | L | A | 0.0000 | |
| 211 | D | A | -1.0666 | |
| 212 | R | A | -1.2327 | |
| 213 | V | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | I | A | -0.6160 | |
| 217 | K | A | -1.8176 | |
| 218 | N | A | -2.2371 | |
| 219 | G | A | -1.3321 | |
| 220 | A | A | -0.6399 | |
| 221 | L | A | -0.0415 | |
| 222 | E | A | -1.0859 | |
| 223 | G | A | 0.0000 | |
| 224 | S | A | -1.3650 | |
| 225 | G | A | -2.0858 | |
| 226 | E | A | -3.0060 | |
| 227 | K | A | -2.8199 | |
| 228 | Q | A | -2.2659 | |
| 229 | A | A | -2.1140 | |
| 230 | E | A | -2.9615 | |
| 231 | V | A | 0.0000 | |
| 232 | L | A | -1.1646 | |
| 233 | A | A | -1.3861 | |
| 234 | R | A | -2.1615 | |
| 235 | L | A | 0.0000 | |
| 236 | A | A | -0.5984 | |
| 237 | P | A | -0.3663 | |
| 238 | L | A | -0.6368 | |
| 239 | L | A | 0.0000 | |
| 240 | A | A | -0.5528 | |
| 241 | A | A | -1.0742 | |
| 242 | A | A | 0.0000 | |
| 243 | E | A | -1.5878 | |
| 244 | N | A | -1.7959 | |
| 245 | P | A | -1.3533 | |
| 246 | S | A | -1.1704 | |
| 247 | A | A | -1.4779 | |
| 248 | D | A | -2.3287 | |
| 249 | P | A | -1.7135 | |
| 250 | F | A | -1.3097 | |
| 251 | A | A | -1.6673 | |
| 252 | R | A | -2.4722 | |
| 253 | E | A | -1.9197 | |
| 254 | E | A | -1.8675 | |
| 255 | R | A | -1.4511 | |
| 256 | V | A | 0.0277 | |
| 257 | R | A | -1.2310 | |
| 258 | L | A | 0.0000 | |
| 259 | Y | A | 0.4200 | |
| 260 | A | A | 0.3203 | |
| 261 | A | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | V | A | 0.9437 | |
| 264 | Y | A | 1.0499 | |
| 265 | A | A | 0.0000 | |
| 266 | A | A | 0.9270 | |
| 267 | V | A | 1.6855 | |
| 268 | E | A | 0.1038 | |
| 269 | G | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | P | A | -0.1865 | |
| 274 | T | A | -0.2100 | |
| 275 | P | A | -0.3932 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | F | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | N | A | 0.0000 | |
| 284 | I | A | -0.1698 | |
| 285 | A | A | -0.5899 | |
| 286 | T | A | 0.0000 | |
| 287 | D | A | -1.7181 | |
| 288 | L | A | -1.3862 | |
| 289 | G | A | -1.5981 | |
| 290 | P | A | -2.0078 | |
| 291 | E | A | -2.5852 | |
| 292 | K | A | -2.3549 | |
| 293 | K | A | -2.2213 | |
| 294 | I | A | -0.9468 | |
| 295 | H | A | -0.5530 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | N | A | -0.2657 | |
| 299 | A | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | T | A | -0.8513 | |
| 304 | G | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | P | A | -0.6060 | |
| 314 | H | A | -0.4494 | |
| 315 | A | A | -0.1123 | |
| 316 | T | A | -0.2869 | |
| 317 | V | A | 0.0121 | |
| 318 | G | A | 0.0000 | |
| 319 | Q | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | G | A | -0.0821 | |
| 322 | A | A | 0.0000 | |
| 323 | P | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | M | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | E | A | 0.0000 | |
| 330 | R | A | -0.9345 | |
| 331 | A | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | L | A | -0.0958 | |
| 335 | L | A | 0.0651 | |
| 336 | T | A | -1.1441 | |
| 337 | G | A | -1.4140 | |
| 338 | E | A | -2.6383 | |
| 339 | E | A | -2.4271 | |
| 340 | Y | A | -0.7807 | |
| 341 | V | A | 0.2051 | |
| 342 | E | A | -1.3106 | |
| 343 | V | A | -0.4644 | |
| 344 | D | A | -1.6986 |
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