| Chain sequence(s) |
A: MAASSTDNILHFDFPEVQIGTAINPEGPTGITLFYFPKGVQASVDIQGGSVGTFFTQEKMQQGEAYLDGVAFTGGGILGLEAVAGAVSSLFADQTKNEVQFRRMPLISGAVIFDYTPRQNMIYPDKALGQKAFAALSAGQFVQGRHGAGVSASVGKLLRDGFQLAGQGGAFAQIGKTKIAVFTVVNAVGVILDEKGEVIYGLPKGATKQTLNQQVTELLQQPKKPFWPEPKNTTLTIVITNEKLAPRHLKQLGRQVHHALSQVIHPYATILDGDVLYTVSTRSIESDLYAPGADIESDLNAKFIYLGMVAGELAKQAVWSAVGYSHRP
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 (00:06:09)
[INFO] Main: Simulation completed successfully. (00:06:11)
|
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 | 1.0700 | |
| 2 | A | A | 0.5085 | |
| 3 | A | A | -0.0490 | |
| 4 | S | A | -0.4682 | |
| 5 | S | A | -1.1634 | |
| 6 | T | A | -1.2539 | |
| 7 | D | A | -2.3128 | |
| 8 | N | A | -2.1658 | |
| 9 | I | A | -0.8371 | |
| 10 | L | A | -0.6995 | |
| 11 | H | A | -1.5757 | |
| 12 | F | A | 0.0000 | |
| 13 | D | A | -2.4452 | |
| 14 | F | A | 0.0000 | |
| 15 | P | A | -0.9918 | |
| 16 | E | A | -1.0597 | |
| 17 | V | A | 0.0000 | |
| 18 | Q | A | -0.4960 | |
| 19 | I | A | 0.0000 | |
| 20 | G | A | 0.0000 | |
| 21 | T | A | -0.1748 | |
| 22 | A | A | -0.3799 | |
| 23 | I | A | -0.3451 | |
| 24 | N | A | -0.7996 | |
| 25 | P | A | -1.1513 | |
| 26 | E | A | -1.8575 | |
| 27 | G | A | 0.0000 | |
| 28 | P | A | -1.0764 | |
| 29 | T | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | T | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | Y | A | -0.2863 | |
| 36 | F | A | 0.0000 | |
| 37 | P | A | -1.1601 | |
| 38 | K | A | -1.8150 | |
| 39 | G | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | S | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | D | A | 0.0000 | |
| 46 | I | A | 0.2347 | |
| 47 | Q | A | -0.1558 | |
| 48 | G | A | 0.3988 | |
| 49 | G | A | 0.5409 | |
| 50 | S | A | 0.4457 | |
| 51 | V | A | 0.8805 | |
| 52 | G | A | 1.0780 | |
| 53 | T | A | 0.9421 | |
| 54 | F | A | 1.0683 | |
| 55 | F | A | 0.9729 | |
| 56 | T | A | -0.3765 | |
| 57 | Q | A | -1.9702 | |
| 58 | E | A | -3.3256 | |
| 59 | K | A | -3.2836 | |
| 60 | M | A | 0.0000 | |
| 61 | Q | A | -2.7329 | |
| 62 | Q | A | -3.6153 | |
| 63 | G | A | 0.0000 | |
| 64 | E | A | -3.0974 | |
| 65 | A | A | 0.0000 | |
| 66 | Y | A | 0.4641 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -0.3048 | |
| 69 | G | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | I | A | 2.7551 | |
| 78 | L | A | 1.9375 | |
| 79 | G | A | 0.0000 | |
| 80 | L | A | 0.8329 | |
| 81 | E | A | -0.3302 | |
| 82 | A | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | A | A | -0.4011 | |
| 85 | G | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | V | A | 0.0173 | |
| 88 | S | A | -0.2705 | |
| 89 | S | A | -0.8170 | |
| 90 | L | A | 0.0000 | |
| 91 | F | A | -0.1469 | |
| 92 | A | A | -1.3530 | |
| 93 | D | A | -2.4761 | |
| 94 | Q | A | -1.9797 | |
| 95 | T | A | 0.0000 | |
| 96 | K | A | -3.1167 | |
| 97 | N | A | -2.8021 | |
| 98 | E | A | -2.0434 | |
| 99 | V | A | 0.4975 | |
| 100 | Q | A | 0.3981 | |
| 101 | F | A | 1.2591 | |
| 102 | R | A | -0.7537 | |
| 103 | R | A | -0.3099 | |
| 104 | M | A | 0.8643 | |
| 105 | P | A | 0.0000 | |
| 106 | L | A | 0.8454 | |
| 107 | I | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | G | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | F | A | 0.9359 | |
| 114 | D | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | T | A | -0.0255 | |
| 117 | P | A | -0.0916 | |
| 118 | R | A | 0.0000 | |
| 119 | Q | A | -1.1516 | |
| 120 | N | A | -0.5763 | |
| 121 | M | A | 0.7125 | |
| 122 | I | A | 0.3476 | |
| 123 | Y | A | 0.6895 | |
| 124 | P | A | 0.0000 | |
| 125 | D | A | -1.2502 | |
| 126 | K | A | -2.0188 | |
| 127 | A | A | -1.4916 | |
| 128 | L | A | 0.0000 | |
| 129 | G | A | 0.0000 | |
| 130 | Q | A | -1.7587 | |
| 131 | K | A | -1.9697 | |
| 132 | A | A | 0.0000 | |
| 133 | F | A | -0.4722 | |
| 134 | A | A | -0.5614 | |
| 135 | A | A | -0.3742 | |
| 136 | L | A | -0.1267 | |
| 137 | S | A | -0.3422 | |
| 138 | A | A | -0.9619 | |
| 139 | G | A | -1.5511 | |
| 140 | Q | A | -1.5224 | |
| 141 | F | A | 0.0000 | |
| 142 | V | A | -0.6213 | |
| 143 | Q | A | -0.9838 | |
| 144 | G | A | -0.9670 | |
| 145 | R | A | -1.5650 | |
| 146 | H | A | -0.9035 | |
| 147 | G | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | K | A | -0.6184 | |
| 157 | L | A | -0.1681 | |
| 158 | L | A | -0.7149 | |
| 159 | R | A | -2.1841 | |
| 160 | D | A | -2.4036 | |
| 161 | G | A | 0.0000 | |
| 162 | F | A | 0.3614 | |
| 163 | Q | A | 0.2983 | |
| 164 | L | A | 0.4209 | |
| 165 | A | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | Q | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | F | A | -0.3506 | |
| 172 | A | A | -0.2821 | |
| 173 | Q | A | -1.1594 | |
| 174 | I | A | 0.4540 | |
| 175 | G | A | -0.9845 | |
| 176 | K | A | -2.2410 | |
| 177 | T | A | -1.3961 | |
| 178 | K | A | -1.0399 | |
| 179 | I | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | D | A | 0.0000 | |
| 194 | E | A | -3.0971 | |
| 195 | K | A | -3.0760 | |
| 196 | G | A | -2.2741 | |
| 197 | E | A | -2.0175 | |
| 198 | V | A | -0.7835 | |
| 199 | I | A | 0.1871 | |
| 200 | Y | A | 0.4404 | |
| 201 | G | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | P | A | -1.2287 | |
| 204 | K | A | -1.9269 | |
| 205 | G | A | -1.3287 | |
| 206 | A | A | -0.9966 | |
| 207 | T | A | -1.3221 | |
| 208 | K | A | -1.6890 | |
| 209 | Q | A | -2.1364 | |
| 210 | T | A | -1.4632 | |
| 211 | L | A | 0.0000 | |
| 212 | N | A | -2.0748 | |
| 213 | Q | A | -2.0142 | |
| 214 | Q | A | -1.4910 | |
| 215 | V | A | -0.5151 | |
| 216 | T | A | -1.0574 | |
| 217 | E | A | -1.9671 | |
| 218 | L | A | -0.9369 | |
| 219 | L | A | -0.1533 | |
| 220 | Q | A | -1.6731 | |
| 221 | Q | A | -2.3195 | |
| 222 | P | A | -1.9754 | |
| 223 | K | A | -2.8615 | |
| 224 | K | A | -2.2855 | |
| 225 | P | A | -0.9455 | |
| 226 | F | A | 0.1984 | |
| 227 | W | A | 0.5490 | |
| 228 | P | A | -0.5247 | |
| 229 | E | A | -1.6151 | |
| 230 | P | A | -0.6210 | |
| 231 | K | A | -0.8516 | |
| 232 | N | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | T | A | 0.0000 | |
| 241 | N | A | 0.0000 | |
| 242 | E | A | 0.0000 | |
| 243 | K | A | -2.0571 | |
| 244 | L | A | 0.0000 | |
| 245 | A | A | -1.2374 | |
| 246 | P | A | -2.4671 | |
| 247 | R | A | -3.0459 | |
| 248 | H | A | -1.8908 | |
| 249 | L | A | 0.0000 | |
| 250 | K | A | -2.6884 | |
| 251 | Q | A | -2.3143 | |
| 252 | L | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | R | A | -1.8148 | |
| 255 | Q | A | -1.1698 | |
| 256 | V | A | 0.0000 | |
| 257 | H | A | 0.0000 | |
| 258 | H | A | -1.6668 | |
| 259 | A | A | -1.3527 | |
| 260 | L | A | 0.0000 | |
| 261 | S | A | -1.0669 | |
| 262 | Q | A | -2.0459 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | H | A | -0.5826 | |
| 266 | P | A | -0.3168 | |
| 267 | Y | A | -0.1378 | |
| 268 | A | A | 0.1433 | |
| 269 | T | A | 0.7181 | |
| 270 | I | A | 1.7479 | |
| 271 | L | A | 0.0000 | |
| 272 | D | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | D | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.0000 | |
| 282 | R | A | -1.7446 | |
| 283 | S | A | -1.5108 | |
| 284 | I | A | 0.0000 | |
| 285 | E | A | -2.7705 | |
| 286 | S | A | 0.0000 | |
| 287 | D | A | -2.2075 | |
| 288 | L | A | -0.5548 | |
| 289 | Y | A | 0.6373 | |
| 290 | A | A | 0.1415 | |
| 291 | P | A | -0.0435 | |
| 292 | G | A | -0.5101 | |
| 293 | A | A | -0.9302 | |
| 294 | D | A | -2.0421 | |
| 295 | I | A | -0.5724 | |
| 296 | E | A | -2.3090 | |
| 297 | S | A | -2.2332 | |
| 298 | D | A | -2.3585 | |
| 299 | L | A | -1.4516 | |
| 300 | N | A | -1.2991 | |
| 301 | A | A | -0.4243 | |
| 302 | K | A | 0.0961 | |
| 303 | F | A | 0.8330 | |
| 304 | I | A | 2.4655 | |
| 305 | Y | A | 2.5742 | |
| 306 | L | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | M | A | 1.7583 | |
| 309 | V | A | 1.2553 | |
| 310 | A | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | E | A | -1.4836 | |
| 313 | L | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | K | A | -1.5159 | |
| 316 | Q | A | -0.9606 | |
| 317 | A | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | S | A | -0.4570 | |
| 321 | A | A | 0.0000 | |
| 322 | V | A | 0.0330 | |
| 323 | G | A | -0.6194 | |
| 324 | Y | A | -0.0722 | |
| 325 | S | A | -0.8753 | |
| 326 | H | A | -1.7133 | |
| 327 | R | A | -2.1843 | |
| 328 | P | A | -1.2881 |
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