| Chain sequence(s) |
A: ATCDDGRTTANNAACCILFPILDDIQENLFDGAQQCGEEVHESLRLTFHDAIGFSPTLGGGGADGSIIAFDTIETNFPANAGIDEEIVSSAQKPFVAKHNISAGDFIQFAGAVGVSNCPGGVRIPFFLGRPDAVAASPDHLVPEPFDSVDSILARMGDAGFSPVEVVWLLASHSIAAADKVDPSIPGTPFDSTPEVFDSQFFIETQLKGRLFPGTADNKGEAQSPLQGEIRLQSDHLLARDPQTACEWQSMVNNQPKIQNRRFAATMSKMALLGQDKTKLIDCSDVIPTPPALVGAAHLPAGFSLSDVEQACAATPFPALTADP
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:13)
[INFO] Main: Simulation completed successfully. (00:02:15)
|
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 | A | A | -0.4440 | |
| 2 | T | A | -1.1128 | |
| 3 | C | A | -1.6537 | |
| 4 | D | A | -2.7898 | |
| 5 | D | A | -3.0739 | |
| 6 | G | A | -2.1804 | |
| 7 | R | A | -1.7074 | |
| 8 | T | A | -1.1187 | |
| 9 | T | A | 0.0000 | |
| 10 | A | A | -0.7375 | |
| 11 | N | A | -0.9504 | |
| 12 | A | A | -0.0275 | |
| 13 | A | A | -0.0433 | |
| 14 | C | A | 0.0000 | |
| 15 | C | A | -0.2184 | |
| 16 | I | A | 0.3930 | |
| 17 | L | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | P | A | -0.8605 | |
| 20 | I | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | D | A | -2.3760 | |
| 23 | D | A | -2.2649 | |
| 24 | I | A | 0.0000 | |
| 25 | Q | A | -2.7748 | |
| 26 | E | A | -3.9445 | |
| 27 | N | A | -3.2526 | |
| 28 | L | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | D | A | -3.6986 | |
| 31 | G | A | -3.0127 | |
| 32 | A | A | -2.1607 | |
| 33 | Q | A | -2.6573 | |
| 34 | C | A | 0.0000 | |
| 35 | G | A | -2.5021 | |
| 36 | E | A | -3.0886 | |
| 37 | E | A | -2.7210 | |
| 38 | V | A | 0.0000 | |
| 39 | H | A | -1.6698 | |
| 40 | E | A | -1.7937 | |
| 41 | S | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | R | A | -0.7343 | |
| 44 | L | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | F | A | 0.2045 | |
| 47 | H | A | 0.0000 | |
| 48 | D | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | F | A | 0.2246 | |
| 53 | S | A | 0.0000 | |
| 54 | P | A | -0.0131 | |
| 55 | T | A | 0.4668 | |
| 56 | L | A | 1.2180 | |
| 57 | G | A | 0.5131 | |
| 58 | G | A | 0.2627 | |
| 59 | G | A | -0.0490 | |
| 60 | G | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | D | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | A | A | 0.2191 | |
| 68 | F | A | 1.0786 | |
| 69 | D | A | -0.0858 | |
| 70 | T | A | 0.3317 | |
| 71 | I | A | 1.3766 | |
| 72 | E | A | 0.0000 | |
| 73 | T | A | -0.8837 | |
| 74 | N | A | -1.1260 | |
| 75 | F | A | -0.5143 | |
| 76 | P | A | -0.7457 | |
| 77 | A | A | -0.5870 | |
| 78 | N | A | 0.0000 | |
| 79 | A | A | -1.4497 | |
| 80 | G | A | -2.1043 | |
| 81 | I | A | 0.0000 | |
| 82 | D | A | -2.9989 | |
| 83 | E | A | -2.9298 | |
| 84 | I | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | S | A | -1.6551 | |
| 87 | A | A | -1.3199 | |
| 88 | Q | A | 0.0000 | |
| 89 | K | A | -1.1637 | |
| 90 | P | A | -0.9602 | |
| 91 | F | A | 0.0000 | |
| 92 | V | A | -0.8968 | |
| 93 | A | A | -1.1952 | |
| 94 | K | A | -2.1019 | |
| 95 | H | A | -1.5134 | |
| 96 | N | A | -1.5418 | |
| 97 | I | A | 0.0000 | |
| 98 | S | A | -0.9613 | |
| 99 | A | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | D | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | Q | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | S | A | 0.0000 | |
| 113 | N | A | -0.9328 | |
| 114 | C | A | 0.0000 | |
| 115 | P | A | -0.1014 | |
| 116 | G | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | R | A | -1.3526 | |
| 120 | I | A | 0.0000 | |
| 121 | P | A | -0.8344 | |
| 122 | F | A | 0.0000 | |
| 123 | F | A | -0.9676 | |
| 124 | L | A | 0.0000 | |
| 125 | G | A | -1.3024 | |
| 126 | R | A | 0.0000 | |
| 127 | P | A | -1.0117 | |
| 128 | D | A | -1.5312 | |
| 129 | A | A | -0.0355 | |
| 130 | V | A | 1.3298 | |
| 131 | A | A | 0.6776 | |
| 132 | A | A | 0.6658 | |
| 133 | S | A | 0.0000 | |
| 134 | P | A | -0.0158 | |
| 135 | D | A | -0.8699 | |
| 136 | H | A | -1.1827 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | -0.2770 | |
| 139 | P | A | -0.3450 | |
| 140 | E | A | -0.6700 | |
| 141 | P | A | -0.3741 | |
| 142 | F | A | -0.0652 | |
| 143 | D | A | -0.5792 | |
| 144 | S | A | -0.7765 | |
| 145 | V | A | 0.0000 | |
| 146 | D | A | -2.1226 | |
| 147 | S | A | -1.1478 | |
| 148 | I | A | 0.0000 | |
| 149 | L | A | -0.8942 | |
| 150 | A | A | -0.8963 | |
| 151 | R | A | -0.8704 | |
| 152 | M | A | 0.0000 | |
| 153 | G | A | -0.8666 | |
| 154 | D | A | -0.9969 | |
| 155 | A | A | 0.0000 | |
| 156 | G | A | -0.8469 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.1834 | |
| 159 | P | A | -0.2740 | |
| 160 | V | A | 0.3215 | |
| 161 | E | A | -0.1382 | |
| 162 | V | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | W | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | L | A | 0.0990 | |
| 167 | A | A | 0.0000 | |
| 168 | S | A | -0.1044 | |
| 169 | H | A | -0.1934 | |
| 170 | S | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | A | A | -0.9126 | |
| 173 | A | A | -1.1314 | |
| 174 | A | A | 0.0000 | |
| 175 | D | A | -2.8376 | |
| 176 | K | A | -2.6469 | |
| 177 | V | A | -1.5560 | |
| 178 | D | A | 0.0000 | |
| 179 | P | A | -1.5017 | |
| 180 | S | A | -0.8012 | |
| 181 | I | A | -0.7531 | |
| 182 | P | A | -1.6303 | |
| 183 | G | A | -1.6455 | |
| 184 | T | A | 0.0000 | |
| 185 | P | A | -0.7489 | |
| 186 | F | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | S | A | -0.5557 | |
| 189 | T | A | -0.6210 | |
| 190 | P | A | -1.2045 | |
| 191 | E | A | -2.2326 | |
| 192 | V | A | -0.5102 | |
| 193 | F | A | 0.0000 | |
| 194 | D | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | Q | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | E | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | Q | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.1836 | |
| 205 | G | A | -1.9342 | |
| 206 | R | A | -2.3061 | |
| 207 | L | A | -1.0031 | |
| 208 | F | A | -0.7185 | |
| 209 | P | A | 0.0000 | |
| 210 | G | A | -0.5377 | |
| 211 | T | A | -0.5351 | |
| 212 | A | A | -1.1039 | |
| 213 | D | A | -2.2705 | |
| 214 | N | A | -1.9517 | |
| 215 | K | A | -2.1114 | |
| 216 | G | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | Q | A | -1.5246 | |
| 220 | S | A | 0.0000 | |
| 221 | P | A | 0.0000 | |
| 222 | L | A | -0.9659 | |
| 223 | Q | A | -1.4238 | |
| 224 | G | A | -0.9841 | |
| 225 | E | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | R | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -1.0318 | |
| 230 | S | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | H | A | -0.6294 | |
| 233 | L | A | 0.1200 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -0.7649 | |
| 237 | D | A | -0.9879 | |
| 238 | P | A | -0.9415 | |
| 239 | Q | A | -1.5641 | |
| 240 | T | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | C | A | -0.1144 | |
| 243 | E | A | -0.0965 | |
| 244 | W | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | S | A | -0.4095 | |
| 247 | M | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | N | A | -1.6018 | |
| 250 | N | A | -1.3591 | |
| 251 | Q | A | -1.1677 | |
| 252 | P | A | -1.4052 | |
| 253 | K | A | -1.6503 | |
| 254 | I | A | 0.0000 | |
| 255 | Q | A | -1.6721 | |
| 256 | N | A | -2.2249 | |
| 257 | R | A | -1.8106 | |
| 258 | F | A | 0.0000 | |
| 259 | A | A | -1.1584 | |
| 260 | A | A | -0.9946 | |
| 261 | T | A | 0.0000 | |
| 262 | M | A | 0.0000 | |
| 263 | S | A | -0.6918 | |
| 264 | K | A | -0.9414 | |
| 265 | M | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | -0.8589 | |
| 268 | L | A | 0.0000 | |
| 269 | G | A | -0.9120 | |
| 270 | Q | A | -1.7536 | |
| 271 | D | A | -2.5811 | |
| 272 | K | A | -2.9812 | |
| 273 | T | A | -2.0612 | |
| 274 | K | A | -2.6305 | |
| 275 | L | A | -1.6652 | |
| 276 | I | A | -0.8459 | |
| 277 | D | A | -2.0309 | |
| 278 | C | A | 0.0000 | |
| 279 | S | A | -1.1992 | |
| 280 | D | A | -1.5861 | |
| 281 | V | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | P | A | -0.5386 | |
| 284 | T | A | -0.5184 | |
| 285 | P | A | -0.3716 | |
| 286 | P | A | 0.1384 | |
| 287 | A | A | 0.5306 | |
| 288 | L | A | 1.0691 | |
| 289 | V | A | 1.7182 | |
| 290 | G | A | 0.7443 | |
| 291 | A | A | -0.0771 | |
| 292 | A | A | -0.6648 | |
| 293 | H | A | -0.6345 | |
| 294 | L | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | A | A | -0.7534 | |
| 297 | G | A | -0.7545 | |
| 298 | F | A | 0.0000 | |
| 299 | S | A | -0.1866 | |
| 300 | L | A | -0.0788 | |
| 301 | S | A | -0.5959 | |
| 302 | D | A | -0.9907 | |
| 303 | V | A | 0.0000 | |
| 304 | E | A | -1.6373 | |
| 305 | Q | A | -1.6731 | |
| 306 | A | A | -0.8482 | |
| 307 | C | A | -0.3808 | |
| 308 | A | A | -0.0934 | |
| 309 | A | A | 0.1043 | |
| 310 | T | A | -0.2068 | |
| 311 | P | A | -0.4530 | |
| 312 | F | A | 0.0000 | |
| 313 | P | A | -0.3822 | |
| 314 | A | A | -0.0418 | |
| 315 | L | A | -0.1649 | |
| 316 | T | A | -0.2686 | |
| 317 | A | A | -0.7124 | |
| 318 | D | A | -1.3613 | |
| 319 | P | A | -0.8821 |
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