| Chain sequence(s) |
A: DPEALKAIAKAAADSKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLIAVLAAAVAAAAAGNVEEAAKYLKQFCTMYICGDSTECSNLLLQYGSFCEAIEAIAKYIAKGDLEKAAKVAAEYAARSKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLIIIWAIAAAVAAAGKNPEAAKYAAKACTMYICGDSTECSNLLLQYGSFCEVAKYFATAAEEGDAEKAAHEALKAAATSKFGAISSVLNDIFSRLDKVEAEVQIDRLITGRLAVAVIAIALAAAYIGDPKLAEKLRKACTMYICGDSTECSNLLLQYGSFCKVAEYAAHA
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 (00:07:23)
[INFO] Main: Simulation completed successfully. (00:07:24)
|
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 | D | A | -2.6680 | |
| 2 | P | A | -2.2572 | |
| 3 | E | A | -2.7732 | |
| 4 | A | A | -1.7989 | |
| 5 | L | A | -1.5984 | |
| 6 | K | A | -2.3368 | |
| 7 | A | A | -1.4890 | |
| 8 | I | A | -0.9509 | |
| 9 | A | A | -1.3718 | |
| 10 | K | A | -2.4234 | |
| 11 | A | A | -1.8257 | |
| 12 | A | A | -1.2809 | |
| 13 | A | A | -1.6063 | |
| 14 | D | A | -2.7558 | |
| 15 | S | A | -1.9972 | |
| 16 | K | A | -2.2137 | |
| 17 | F | A | -0.7601 | |
| 18 | G | A | -1.0508 | |
| 19 | A | A | -0.7220 | |
| 20 | I | A | 0.0000 | |
| 21 | S | A | -1.0960 | |
| 22 | S | A | -0.8693 | |
| 23 | V | A | -0.5142 | |
| 24 | L | A | 0.0000 | |
| 25 | N | A | -1.6933 | |
| 26 | D | A | -1.8970 | |
| 27 | I | A | 0.0000 | |
| 28 | F | A | -0.7270 | |
| 29 | S | A | -1.2906 | |
| 30 | R | A | -2.0249 | |
| 31 | L | A | -1.6973 | |
| 32 | D | A | -2.6095 | |
| 33 | K | A | -2.3249 | |
| 34 | V | A | -0.5697 | |
| 35 | E | A | -2.0009 | |
| 36 | A | A | 0.0000 | |
| 37 | E | A | -1.8213 | |
| 38 | V | A | -0.9217 | |
| 39 | Q | A | -0.7556 | |
| 40 | I | A | 0.0000 | |
| 41 | D | A | -0.6962 | |
| 42 | R | A | -0.6836 | |
| 43 | L | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | T | A | -0.2655 | |
| 46 | G | A | -0.4287 | |
| 47 | R | A | -0.3262 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | A | A | -0.0584 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | A | A | 0.0085 | |
| 55 | A | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0608 | |
| 58 | A | A | 0.0000 | |
| 59 | A | A | -0.6052 | |
| 60 | A | A | -0.0479 | |
| 61 | A | A | -0.5356 | |
| 62 | G | A | -1.1097 | |
| 63 | N | A | -1.5349 | |
| 64 | V | A | -1.7528 | |
| 65 | E | A | -3.0032 | |
| 66 | E | A | -2.1504 | |
| 67 | A | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | K | A | -2.8491 | |
| 70 | Y | A | -1.6161 | |
| 71 | L | A | 0.0000 | |
| 72 | K | A | -2.0019 | |
| 73 | Q | A | -1.5655 | |
| 74 | F | A | -0.3513 | |
| 75 | C | A | 0.0000 | |
| 76 | T | A | -0.2735 | |
| 77 | M | A | -0.1994 | |
| 78 | Y | A | -0.1290 | |
| 79 | I | A | 0.0000 | |
| 80 | C | A | 0.0000 | |
| 81 | G | A | -1.0354 | |
| 82 | D | A | -2.0171 | |
| 83 | S | A | -1.5570 | |
| 84 | T | A | -1.4436 | |
| 85 | E | A | -2.3347 | |
| 86 | C | A | 0.0000 | |
| 87 | S | A | -0.8452 | |
| 88 | N | A | -1.0603 | |
| 89 | L | A | -0.2338 | |
| 90 | L | A | 0.4558 | |
| 91 | L | A | 1.0438 | |
| 92 | Q | A | -0.2508 | |
| 93 | Y | A | 0.0000 | |
| 94 | G | A | -0.1814 | |
| 95 | S | A | -0.7078 | |
| 96 | F | A | -0.4951 | |
| 97 | C | A | 0.0000 | |
| 98 | E | A | -2.1965 | |
| 99 | A | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -2.3679 | |
| 102 | A | A | -1.1094 | |
| 103 | I | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | K | A | -2.1312 | |
| 106 | Y | A | -1.7578 | |
| 107 | I | A | 0.0000 | |
| 108 | A | A | -1.9079 | |
| 109 | K | A | -2.6180 | |
| 110 | G | A | -2.1215 | |
| 111 | D | A | -2.5092 | |
| 112 | L | A | 0.0000 | |
| 113 | E | A | -2.5657 | |
| 114 | K | A | -2.2928 | |
| 115 | A | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | K | A | -2.0676 | |
| 118 | V | A | -1.2084 | |
| 119 | A | A | -1.1160 | |
| 120 | A | A | -1.3618 | |
| 121 | E | A | -2.4423 | |
| 122 | Y | A | -1.8282 | |
| 123 | A | A | -1.2100 | |
| 124 | A | A | -1.5154 | |
| 125 | R | A | -2.6815 | |
| 126 | S | A | -1.8417 | |
| 127 | K | A | -2.0052 | |
| 128 | F | A | -0.5435 | |
| 129 | G | A | -0.9186 | |
| 130 | A | A | -0.5927 | |
| 131 | I | A | 0.0000 | |
| 132 | S | A | -1.0111 | |
| 133 | S | A | -0.8118 | |
| 134 | V | A | -0.4260 | |
| 135 | L | A | 0.0000 | |
| 136 | N | A | -1.6147 | |
| 137 | D | A | -1.7208 | |
| 138 | I | A | 0.0000 | |
| 139 | F | A | -0.5628 | |
| 140 | S | A | -1.2005 | |
| 141 | R | A | -1.8094 | |
| 142 | L | A | -1.3643 | |
| 143 | D | A | -2.3028 | |
| 144 | K | A | -2.0633 | |
| 145 | V | A | -0.1540 | |
| 146 | E | A | -1.0912 | |
| 147 | A | A | 0.0000 | |
| 148 | E | A | -1.7414 | |
| 149 | V | A | -0.6269 | |
| 150 | Q | A | -0.4991 | |
| 151 | I | A | 0.0000 | |
| 152 | D | A | -0.9549 | |
| 153 | R | A | -0.7195 | |
| 154 | L | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | T | A | -0.2697 | |
| 157 | G | A | -0.3682 | |
| 158 | R | A | -0.1891 | |
| 159 | L | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | I | A | 0.1318 | |
| 162 | I | A | 0.0000 | |
| 163 | W | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | A | A | -0.4631 | |
| 172 | A | A | -0.6833 | |
| 173 | G | A | -1.5804 | |
| 174 | K | A | -3.0163 | |
| 175 | N | A | -2.5655 | |
| 176 | P | A | -2.4773 | |
| 177 | E | A | -2.9081 | |
| 178 | A | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | K | A | -2.8299 | |
| 181 | Y | A | -1.8779 | |
| 182 | A | A | 0.0000 | |
| 183 | A | A | -1.6981 | |
| 184 | K | A | -1.6945 | |
| 185 | A | A | -0.7983 | |
| 186 | C | A | 0.0000 | |
| 187 | T | A | -0.0850 | |
| 188 | M | A | 0.0698 | |
| 189 | Y | A | 0.0238 | |
| 190 | I | A | 0.0000 | |
| 191 | C | A | -0.6134 | |
| 192 | G | A | -0.9929 | |
| 193 | D | A | -1.9819 | |
| 194 | S | A | -1.5384 | |
| 195 | T | A | -1.4521 | |
| 196 | E | A | -2.3388 | |
| 197 | C | A | 0.0000 | |
| 198 | S | A | -0.8161 | |
| 199 | N | A | -1.0275 | |
| 200 | L | A | -0.1890 | |
| 201 | L | A | 0.4974 | |
| 202 | L | A | 0.8923 | |
| 203 | Q | A | -0.3048 | |
| 204 | Y | A | 0.0000 | |
| 205 | G | A | -0.0193 | |
| 206 | S | A | -0.6149 | |
| 207 | F | A | -0.4333 | |
| 208 | C | A | 0.0000 | |
| 209 | E | A | -1.9195 | |
| 210 | V | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | K | A | -1.8093 | |
| 213 | Y | A | -0.8392 | |
| 214 | F | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | T | A | -1.9028 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | E | A | -3.3717 | |
| 220 | E | A | -3.4307 | |
| 221 | G | A | -2.6538 | |
| 222 | D | A | -2.5755 | |
| 223 | A | A | -1.8382 | |
| 224 | E | A | -2.2295 | |
| 225 | K | A | -2.4549 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | H | A | -2.0215 | |
| 229 | E | A | -2.1335 | |
| 230 | A | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | -2.1393 | |
| 233 | A | A | -1.4923 | |
| 234 | A | A | -0.8972 | |
| 235 | A | A | -0.8937 | |
| 236 | T | A | -1.0476 | |
| 237 | S | A | -1.1633 | |
| 238 | K | A | -1.5725 | |
| 239 | F | A | -0.5195 | |
| 240 | G | A | -0.5294 | |
| 241 | A | A | -0.3700 | |
| 242 | I | A | 0.0000 | |
| 243 | S | A | -1.0325 | |
| 244 | S | A | -1.0898 | |
| 245 | V | A | -0.6019 | |
| 246 | L | A | 0.0000 | |
| 247 | N | A | -1.8521 | |
| 248 | D | A | -2.2344 | |
| 249 | I | A | -1.5808 | |
| 250 | F | A | -0.7538 | |
| 251 | S | A | -1.5178 | |
| 252 | R | A | -2.3738 | |
| 253 | L | A | -1.5220 | |
| 254 | D | A | -2.4109 | |
| 255 | K | A | -2.1847 | |
| 256 | V | A | -0.3528 | |
| 257 | E | A | -1.5018 | |
| 258 | A | A | 0.0000 | |
| 259 | E | A | -1.8176 | |
| 260 | V | A | -0.8308 | |
| 261 | Q | A | -0.4729 | |
| 262 | I | A | 0.0000 | |
| 263 | D | A | 0.0000 | |
| 264 | R | A | -0.6141 | |
| 265 | L | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | G | A | -0.4569 | |
| 269 | R | A | -0.3532 | |
| 270 | L | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | A | A | 0.1505 | |
| 283 | Y | A | 0.3548 | |
| 284 | I | A | 0.0910 | |
| 285 | G | A | -0.7424 | |
| 286 | D | A | -1.6236 | |
| 287 | P | A | -2.1081 | |
| 288 | K | A | -3.0672 | |
| 289 | L | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | E | A | -3.8280 | |
| 292 | K | A | -3.6583 | |
| 293 | L | A | 0.0000 | |
| 294 | R | A | -2.6164 | |
| 295 | K | A | -2.8630 | |
| 296 | A | A | -1.6288 | |
| 297 | C | A | 0.0000 | |
| 298 | T | A | -0.6646 | |
| 299 | M | A | -0.3838 | |
| 300 | Y | A | -0.1291 | |
| 301 | I | A | 0.0000 | |
| 302 | C | A | 0.0000 | |
| 303 | G | A | -0.7470 | |
| 304 | D | A | -1.9832 | |
| 305 | S | A | -1.5603 | |
| 306 | T | A | -1.4505 | |
| 307 | E | A | -2.3279 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.8858 | |
| 310 | N | A | -1.1105 | |
| 311 | L | A | -0.2897 | |
| 312 | L | A | 0.3594 | |
| 313 | L | A | 0.9223 | |
| 314 | Q | A | -0.4436 | |
| 315 | Y | A | 0.0000 | |
| 316 | G | A | -0.0840 | |
| 317 | S | A | -0.6669 | |
| 318 | F | A | -0.3111 | |
| 319 | C | A | 0.0000 | |
| 320 | K | A | -1.0587 | |
| 321 | V | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | E | A | -1.4684 | |
| 324 | Y | A | 0.2827 | |
| 325 | A | A | -0.2190 | |
| 326 | A | A | 0.0000 | |
| 327 | H | A | -1.3079 | |
| 328 | A | A | -1.0459 |
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