| Chain sequence(s) |
A: MAKTQAEINERLDAYAEGTVDSPYRIKKATSYDPSFGVMEAGAIDADGYYHAQCQDLITDYVLWLTDNKVRTWGNAKDQIKQSYGTGFKIHENKPSTVPKKGWIAVFTSGSYQQWGHIGIVYDGGNTSTFTILEQNWNGYANKKPTKRVDNYYGLTHFIEIPVKAGTTVKKETAKKSASKTPAPKKKATLEVSKNHINYTMDERGEKPEGMVIHNDAGRSTPATEPVTGSWKKNQYGTWYKPENATFVNGNQPIVTRIGSPFLNAPVGGNLPAGATIVYDEVSIQAGHIWIGYNAYNGNRVYSPVRTCQGVPPNHIPGVAWGVFK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 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 (00:04:17)
[INFO] Main: Simulation completed successfully. (00:04:19)
|
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 | 1.0556 | |
| 2 | A | A | 0.1495 | |
| 3 | K | A | -0.3000 | |
| 4 | T | A | -0.2651 | |
| 5 | Q | A | -0.4860 | |
| 6 | A | A | -0.1577 | |
| 7 | E | A | -0.7058 | |
| 8 | I | A | 0.0000 | |
| 9 | N | A | -0.7327 | |
| 10 | E | A | -1.8927 | |
| 11 | R | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | D | A | -0.9758 | |
| 14 | A | A | -0.1724 | |
| 15 | Y | A | 0.0000 | |
| 16 | A | A | -0.3154 | |
| 17 | E | A | -1.8263 | |
| 18 | G | A | -0.3845 | |
| 19 | T | A | -0.0779 | |
| 20 | V | A | 0.0000 | |
| 21 | D | A | -1.7941 | |
| 22 | S | A | -0.3975 | |
| 23 | P | A | -0.1986 | |
| 24 | Y | A | 0.1796 | |
| 25 | R | A | -0.5396 | |
| 26 | I | A | -0.1907 | |
| 27 | K | A | -1.9601 | |
| 28 | K | A | -1.9909 | |
| 29 | A | A | -0.3109 | |
| 30 | T | A | -0.0493 | |
| 31 | S | A | 0.1601 | |
| 32 | Y | A | 0.7402 | |
| 33 | D | A | -0.2101 | |
| 34 | P | A | -0.3486 | |
| 35 | S | A | -0.1814 | |
| 36 | F | A | 0.3766 | |
| 37 | G | A | 0.3031 | |
| 38 | V | A | 1.7414 | |
| 39 | M | A | 0.0000 | |
| 40 | E | A | -0.4471 | |
| 41 | A | A | -0.3874 | |
| 42 | G | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | D | A | -0.1798 | |
| 46 | A | A | 0.0000 | |
| 47 | D | A | -1.8701 | |
| 48 | G | A | -0.5346 | |
| 49 | Y | A | 1.4559 | |
| 50 | Y | A | 1.4659 | |
| 51 | H | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | Q | A | -0.1752 | |
| 54 | C | A | 0.0000 | |
| 55 | Q | A | -0.1895 | |
| 56 | D | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | D | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | W | A | 0.2448 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -0.3307 | |
| 67 | D | A | -2.0166 | |
| 68 | N | A | -1.8916 | |
| 69 | K | A | -1.8620 | |
| 70 | V | A | -0.2011 | |
| 71 | R | A | -1.2715 | |
| 72 | T | A | -0.0386 | |
| 73 | W | A | 1.0887 | |
| 74 | G | A | -0.3169 | |
| 75 | N | A | -0.4317 | |
| 76 | A | A | 0.0000 | |
| 77 | K | A | -0.5483 | |
| 78 | D | A | -0.2997 | |
| 79 | Q | A | 0.0000 | |
| 80 | I | A | 0.2073 | |
| 81 | K | A | -1.6358 | |
| 82 | Q | A | -0.4893 | |
| 83 | S | A | -0.2391 | |
| 84 | Y | A | 0.0000 | |
| 85 | G | A | -0.3109 | |
| 86 | T | A | -0.1930 | |
| 87 | G | A | -0.3902 | |
| 88 | F | A | 0.0000 | |
| 89 | K | A | -1.4348 | |
| 90 | I | A | 0.4881 | |
| 91 | H | A | -0.4879 | |
| 92 | E | A | -1.9404 | |
| 93 | N | A | -0.8631 | |
| 94 | K | A | -1.7314 | |
| 95 | P | A | -0.5855 | |
| 96 | S | A | -0.2602 | |
| 97 | T | A | 0.1209 | |
| 98 | V | A | 0.9368 | |
| 99 | P | A | 0.0000 | |
| 100 | K | A | -1.7734 | |
| 101 | K | A | -0.6787 | |
| 102 | G | A | 0.0000 | |
| 103 | W | A | 0.0669 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | T | A | -0.1646 | |
| 109 | S | A | -0.3474 | |
| 110 | G | A | -0.5259 | |
| 111 | S | A | -0.2598 | |
| 112 | Y | A | -0.0511 | |
| 113 | Q | A | -1.3921 | |
| 114 | Q | A | -1.2036 | |
| 115 | W | A | 0.9626 | |
| 116 | G | A | 0.1122 | |
| 117 | H | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | Y | A | -0.1245 | |
| 123 | D | A | -1.7656 | |
| 124 | G | A | -0.6487 | |
| 125 | G | A | -0.7084 | |
| 126 | N | A | -1.3704 | |
| 127 | T | A | -0.3352 | |
| 128 | S | A | -0.2297 | |
| 129 | T | A | -0.1756 | |
| 130 | F | A | 0.0000 | |
| 131 | T | A | 0.0265 | |
| 132 | I | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | Q | A | 0.0000 | |
| 136 | N | A | -0.1404 | |
| 137 | W | A | 0.1673 | |
| 138 | N | A | -0.1873 | |
| 139 | G | A | -0.3681 | |
| 140 | Y | A | 0.6177 | |
| 141 | A | A | 0.0000 | |
| 142 | N | A | -0.3758 | |
| 143 | K | A | -0.9154 | |
| 144 | K | A | -0.5630 | |
| 145 | P | A | 0.0000 | |
| 146 | T | A | -0.2600 | |
| 147 | K | A | -1.3791 | |
| 148 | R | A | -0.1298 | |
| 149 | V | A | 1.7328 | |
| 150 | D | A | 0.0000 | |
| 151 | N | A | -0.8789 | |
| 152 | Y | A | 0.2233 | |
| 153 | Y | A | 1.3217 | |
| 154 | G | A | 0.1126 | |
| 155 | L | A | 0.0000 | |
| 156 | T | A | -0.0490 | |
| 157 | H | A | -0.4620 | |
| 158 | F | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | E | A | -0.6063 | |
| 161 | I | A | 0.0000 | |
| 162 | P | A | 0.1067 | |
| 163 | V | A | 0.8743 | |
| 164 | K | A | -0.7432 | |
| 165 | A | A | -0.1988 | |
| 166 | G | A | -0.4686 | |
| 167 | T | A | -0.1695 | |
| 168 | T | A | 0.2458 | |
| 169 | V | A | 1.4470 | |
| 170 | K | A | -1.6907 | |
| 171 | K | A | -2.3488 | |
| 172 | E | A | -2.1433 | |
| 173 | T | A | -0.3975 | |
| 174 | A | A | -0.2620 | |
| 175 | K | A | -2.0101 | |
| 176 | K | A | -2.0600 | |
| 177 | S | A | -0.5162 | |
| 178 | A | A | -0.0205 | |
| 179 | S | A | -0.5145 | |
| 180 | K | A | -1.7522 | |
| 181 | T | A | -0.4304 | |
| 182 | P | A | -0.2572 | |
| 183 | A | A | -0.0334 | |
| 184 | P | A | -0.5546 | |
| 185 | K | A | -2.0552 | |
| 186 | K | A | -2.3146 | |
| 187 | K | A | -1.9951 | |
| 188 | A | A | -0.2678 | |
| 189 | T | A | 0.2217 | |
| 190 | L | A | 1.2018 | |
| 191 | E | A | -1.2133 | |
| 192 | V | A | 1.4020 | |
| 193 | S | A | -0.1955 | |
| 194 | K | A | -1.9679 | |
| 195 | N | A | -1.7555 | |
| 196 | H | A | -0.9608 | |
| 197 | I | A | 1.0111 | |
| 198 | N | A | -0.7806 | |
| 199 | Y | A | 1.0782 | |
| 200 | T | A | 0.3751 | |
| 201 | M | A | 0.7258 | |
| 202 | D | A | -1.9254 | |
| 203 | E | A | -2.4666 | |
| 204 | R | A | -2.2527 | |
| 205 | G | A | -1.1229 | |
| 206 | E | A | -2.2102 | |
| 207 | K | A | -2.0751 | |
| 208 | P | A | -0.8870 | |
| 209 | E | A | -1.9492 | |
| 210 | G | A | -0.6013 | |
| 211 | M | A | 1.2908 | |
| 212 | V | A | 2.3299 | |
| 213 | I | A | 2.1532 | |
| 214 | H | A | -0.8525 | |
| 215 | N | A | -1.7560 | |
| 216 | D | A | -1.8999 | |
| 217 | A | A | -0.3281 | |
| 218 | G | A | -0.7897 | |
| 219 | R | A | -1.9675 | |
| 220 | S | A | -0.5639 | |
| 221 | T | A | -0.1560 | |
| 222 | P | A | -0.2570 | |
| 223 | A | A | -0.0012 | |
| 224 | T | A | -0.3862 | |
| 225 | E | A | -1.8782 | |
| 226 | P | A | -0.2589 | |
| 227 | V | A | 1.7137 | |
| 228 | T | A | 0.1830 | |
| 229 | G | A | -0.2583 | |
| 230 | S | A | -0.2042 | |
| 231 | W | A | -0.0863 | |
| 232 | K | A | -1.8073 | |
| 233 | K | A | -2.0345 | |
| 234 | N | A | -0.9741 | |
| 235 | Q | A | -1.0445 | |
| 236 | Y | A | 1.0462 | |
| 237 | G | A | -0.0698 | |
| 238 | T | A | 0.0000 | |
| 239 | W | A | 0.0188 | |
| 240 | Y | A | 0.2948 | |
| 241 | K | A | -0.1682 | |
| 242 | P | A | -0.3372 | |
| 243 | E | A | -0.3903 | |
| 244 | N | A | -0.7321 | |
| 245 | A | A | -0.0940 | |
| 246 | T | A | 0.2203 | |
| 247 | F | A | 0.0000 | |
| 248 | V | A | 0.2592 | |
| 249 | N | A | 0.0000 | |
| 250 | G | A | -0.3874 | |
| 251 | N | A | -1.5081 | |
| 252 | Q | A | -1.4647 | |
| 253 | P | A | -0.4780 | |
| 254 | I | A | 0.0000 | |
| 255 | V | A | 1.2366 | |
| 256 | T | A | 0.0000 | |
| 257 | R | A | -0.0485 | |
| 258 | I | A | 0.1319 | |
| 259 | G | A | -0.4322 | |
| 260 | S | A | -0.1643 | |
| 261 | P | A | 0.0000 | |
| 262 | F | A | 0.6877 | |
| 263 | L | A | 0.6938 | |
| 264 | N | A | -1.1246 | |
| 265 | A | A | -0.2534 | |
| 266 | P | A | 0.1488 | |
| 267 | V | A | 1.6601 | |
| 268 | G | A | -0.0223 | |
| 269 | G | A | -0.4883 | |
| 270 | N | A | -1.1371 | |
| 271 | L | A | 0.0000 | |
| 272 | P | A | -0.2084 | |
| 273 | A | A | -0.3826 | |
| 274 | G | A | -0.4586 | |
| 275 | A | A | -0.0868 | |
| 276 | T | A | -0.0323 | |
| 277 | I | A | 0.0000 | |
| 278 | V | A | 1.7710 | |
| 279 | Y | A | 0.0000 | |
| 280 | D | A | -1.1626 | |
| 281 | E | A | -0.4823 | |
| 282 | V | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | I | A | 0.0000 | |
| 285 | Q | A | -0.1634 | |
| 286 | A | A | -0.0480 | |
| 287 | G | A | -0.2936 | |
| 288 | H | A | -0.2163 | |
| 289 | I | A | 0.0000 | |
| 290 | W | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | Y | A | -0.0823 | |
| 294 | N | A | -1.2913 | |
| 295 | A | A | 0.0135 | |
| 296 | Y | A | 1.2780 | |
| 297 | N | A | -0.0626 | |
| 298 | G | A | -0.5424 | |
| 299 | N | A | -0.3683 | |
| 300 | R | A | -0.5986 | |
| 301 | V | A | 0.0000 | |
| 302 | Y | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | P | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | R | A | -0.3322 | |
| 307 | T | A | -0.1327 | |
| 308 | C | A | 0.0000 | |
| 309 | Q | A | -1.2833 | |
| 310 | G | A | -0.4519 | |
| 311 | V | A | 1.3149 | |
| 312 | P | A | 0.0000 | |
| 313 | P | A | -0.4816 | |
| 314 | N | A | -1.3524 | |
| 315 | H | A | 0.0726 | |
| 316 | I | A | 1.9535 | |
| 317 | P | A | 0.2020 | |
| 318 | G | A | 0.1749 | |
| 319 | V | A | 1.7540 | |
| 320 | A | A | 0.4117 | |
| 321 | W | A | 0.5853 | |
| 322 | G | A | 0.3265 | |
| 323 | V | A | 1.8963 | |
| 324 | F | A | 0.7757 | |
| 325 | K | A | -1.5635 |
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