| Chain sequence(s) |
A: MASYYEILDVPRSASADDIKKAYRRKALQWHPDKNPDNKEFAEKKFKEVAEAYEVLSDKHKREIYDRYGREGLTGTGTGPSRAEAGSGGPGFTFTFRSPEEVFREFFGSGDPFAELFDDLGPFSELQNRGSRHSGPFFTFSSSFPGHSDFSSSSFSFSPGAGAFRSVSTSTTFVQGRRITTRRIMENGQERVEVEEDGQLKSVTINGVPDDLALGLELSRREQQPSVTSRSGGTQVQQTPASCPLDSDLSEDEDLQLAMAYSLSEMEAAGKKPAGGREAQHRRQGRPKAQHQDPGLGGTQEGARGEATKRSPSPEEKASRCLIL
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 (00:06:21)
[INFO] Main: Simulation completed successfully. (00:06:24)
|
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 | M | A | 0.8771 | |
| 2 | A | A | -0.1385 | |
| 3 | S | A | -1.0213 | |
| 4 | Y | A | 0.0000 | |
| 5 | Y | A | 0.0000 | |
| 6 | E | A | -2.6299 | |
| 7 | I | A | -1.4732 | |
| 8 | L | A | 0.0000 | |
| 9 | D | A | -2.6210 | |
| 10 | V | A | -2.0437 | |
| 11 | P | A | -1.9971 | |
| 12 | R | A | -2.5697 | |
| 13 | S | A | -1.3280 | |
| 14 | A | A | 0.0000 | |
| 15 | S | A | -1.7064 | |
| 16 | A | A | -2.0896 | |
| 17 | D | A | -3.0248 | |
| 18 | D | A | -2.8610 | |
| 19 | I | A | 0.0000 | |
| 20 | K | A | -2.6397 | |
| 21 | K | A | -2.8315 | |
| 22 | A | A | -2.4223 | |
| 23 | Y | A | 0.0000 | |
| 24 | R | A | -1.8982 | |
| 25 | R | A | -2.6659 | |
| 26 | K | A | -2.0617 | |
| 27 | A | A | 0.0000 | |
| 28 | L | A | 0.0000 | |
| 29 | Q | A | -2.1111 | |
| 30 | W | A | -2.1062 | |
| 31 | H | A | -2.0712 | |
| 32 | P | A | -2.7658 | |
| 33 | D | A | -2.9880 | |
| 34 | K | A | -2.8159 | |
| 35 | N | A | -2.9613 | |
| 36 | P | A | -2.8897 | |
| 37 | D | A | -3.1966 | |
| 38 | N | A | -2.9390 | |
| 39 | K | A | -3.9417 | |
| 40 | E | A | -3.3686 | |
| 41 | F | A | -1.8224 | |
| 42 | A | A | 0.0000 | |
| 43 | E | A | -3.2002 | |
| 44 | K | A | -3.2394 | |
| 45 | K | A | -2.5021 | |
| 46 | F | A | 0.0000 | |
| 47 | K | A | -2.6023 | |
| 48 | E | A | -2.0577 | |
| 49 | V | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | E | A | -0.9437 | |
| 52 | A | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | E | A | -0.7297 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | S | A | -1.8421 | |
| 58 | D | A | -2.5564 | |
| 59 | K | A | -3.0532 | |
| 60 | H | A | -2.5860 | |
| 61 | K | A | -2.2961 | |
| 62 | R | A | -2.4931 | |
| 63 | E | A | -2.6354 | |
| 64 | I | A | -1.8183 | |
| 65 | Y | A | -1.9297 | |
| 66 | D | A | -2.1585 | |
| 67 | R | A | -2.0195 | |
| 68 | Y | A | -0.8361 | |
| 69 | G | A | -1.6826 | |
| 70 | R | A | -2.4635 | |
| 71 | E | A | -2.5301 | |
| 72 | G | A | -1.7084 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.9802 | |
| 75 | G | A | -0.5630 | |
| 76 | T | A | -0.9366 | |
| 77 | G | A | -1.1113 | |
| 78 | T | A | -0.9420 | |
| 79 | G | A | -0.9104 | |
| 80 | P | A | -1.1420 | |
| 81 | S | A | -1.6091 | |
| 82 | R | A | -2.5564 | |
| 83 | A | A | -1.8598 | |
| 84 | E | A | -2.4523 | |
| 85 | A | A | -1.3573 | |
| 86 | G | A | -1.1266 | |
| 87 | S | A | -1.0182 | |
| 88 | G | A | -1.0214 | |
| 89 | G | A | -0.8076 | |
| 90 | P | A | -0.3085 | |
| 91 | G | A | 0.1476 | |
| 92 | F | A | 1.6092 | |
| 93 | T | A | 0.9180 | |
| 94 | F | A | 0.9483 | |
| 95 | T | A | 0.4925 | |
| 96 | F | A | 0.2989 | |
| 97 | R | A | -1.6020 | |
| 98 | S | A | -1.7855 | |
| 99 | P | A | 0.0000 | |
| 100 | E | A | -2.8642 | |
| 101 | E | A | -3.5591 | |
| 102 | V | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | R | A | -3.6560 | |
| 105 | E | A | -3.2056 | |
| 106 | F | A | -1.6534 | |
| 107 | F | A | 0.0000 | |
| 108 | G | A | -2.1849 | |
| 109 | S | A | -1.7883 | |
| 110 | G | A | -1.9044 | |
| 111 | D | A | -2.3084 | |
| 112 | P | A | -1.4830 | |
| 113 | F | A | -0.5400 | |
| 114 | A | A | -1.2356 | |
| 115 | E | A | -2.3299 | |
| 116 | L | A | -1.0966 | |
| 117 | F | A | 0.3702 | |
| 118 | D | A | -1.8770 | |
| 119 | D | A | -1.9686 | |
| 120 | L | A | -0.0140 | |
| 121 | G | A | 0.0033 | |
| 122 | P | A | 0.3077 | |
| 123 | F | A | 1.0389 | |
| 124 | S | A | -0.7492 | |
| 125 | E | A | -1.5243 | |
| 126 | L | A | -0.2926 | |
| 127 | Q | A | -1.8916 | |
| 128 | N | A | -2.9349 | |
| 129 | R | A | -3.2074 | |
| 130 | G | A | -2.4506 | |
| 131 | S | A | -2.2521 | |
| 132 | R | A | -2.8105 | |
| 133 | H | A | -2.2030 | |
| 134 | S | A | -1.4023 | |
| 135 | G | A | -0.5245 | |
| 136 | P | A | 0.7878 | |
| 137 | F | A | 2.6974 | |
| 138 | F | A | 3.2966 | |
| 139 | T | A | 2.1649 | |
| 140 | F | A | 2.2286 | |
| 141 | S | A | 0.9574 | |
| 142 | S | A | 0.4804 | |
| 143 | S | A | 0.6383 | |
| 144 | F | A | 1.5426 | |
| 145 | P | A | 0.1828 | |
| 146 | G | A | -0.7955 | |
| 147 | H | A | -1.7803 | |
| 148 | S | A | -1.2199 | |
| 149 | D | A | -1.2028 | |
| 150 | F | A | 0.8462 | |
| 151 | S | A | 0.1093 | |
| 152 | S | A | -0.0250 | |
| 153 | S | A | -0.0049 | |
| 154 | S | A | 0.7534 | |
| 155 | F | A | 2.1333 | |
| 156 | S | A | 1.5021 | |
| 157 | F | A | 2.0818 | |
| 158 | S | A | 0.6454 | |
| 159 | P | A | -0.1330 | |
| 160 | G | A | -0.5165 | |
| 161 | A | A | -0.3982 | |
| 162 | G | A | -0.7148 | |
| 163 | A | A | -0.4775 | |
| 164 | F | A | 0.3371 | |
| 165 | R | A | -1.5724 | |
| 166 | S | A | -0.3890 | |
| 167 | V | A | 0.4619 | |
| 168 | S | A | -0.3293 | |
| 169 | T | A | -0.5417 | |
| 170 | S | A | -0.6531 | |
| 171 | T | A | -0.0823 | |
| 172 | T | A | 0.2488 | |
| 173 | F | A | 0.5862 | |
| 174 | V | A | -0.0030 | |
| 175 | Q | A | -1.3674 | |
| 176 | G | A | -1.6159 | |
| 177 | R | A | -2.7930 | |
| 178 | R | A | -2.4104 | |
| 179 | I | A | -1.4013 | |
| 180 | T | A | -1.1976 | |
| 181 | T | A | -0.9499 | |
| 182 | R | A | -1.2954 | |
| 183 | R | A | -1.2827 | |
| 184 | I | A | -1.1370 | |
| 185 | M | A | -1.6327 | |
| 186 | E | A | -2.5416 | |
| 187 | N | A | -2.3591 | |
| 188 | G | A | -2.1242 | |
| 189 | Q | A | -2.7238 | |
| 190 | E | A | -2.0456 | |
| 191 | R | A | -1.3179 | |
| 192 | V | A | -0.6687 | |
| 193 | E | A | -0.9343 | |
| 194 | V | A | -0.9492 | |
| 195 | E | A | -2.1498 | |
| 196 | E | A | -2.6729 | |
| 197 | D | A | -3.4735 | |
| 198 | G | A | -2.4807 | |
| 199 | Q | A | -2.4890 | |
| 200 | L | A | 0.0000 | |
| 201 | K | A | -2.2207 | |
| 202 | S | A | -1.4514 | |
| 203 | V | A | 0.0000 | |
| 204 | T | A | -0.4330 | |
| 205 | I | A | -0.5212 | |
| 206 | N | A | -1.3839 | |
| 207 | G | A | -0.4393 | |
| 208 | V | A | 0.7637 | |
| 209 | P | A | -0.1272 | |
| 210 | D | A | -0.6479 | |
| 211 | D | A | -0.9431 | |
| 212 | L | A | 0.9234 | |
| 213 | A | A | 0.0000 | |
| 214 | L | A | -0.1210 | |
| 215 | G | A | 0.3803 | |
| 216 | L | A | 1.0235 | |
| 217 | E | A | -0.2161 | |
| 218 | L | A | -0.8464 | |
| 219 | S | A | -1.4875 | |
| 220 | R | A | -2.4026 | |
| 221 | R | A | -3.0201 | |
| 222 | E | A | -3.4868 | |
| 223 | Q | A | -3.3792 | |
| 224 | Q | A | -2.8503 | |
| 225 | P | A | -1.3409 | |
| 226 | S | A | -0.4216 | |
| 227 | V | A | 1.1445 | |
| 228 | T | A | 0.1418 | |
| 229 | S | A | -0.8304 | |
| 230 | R | A | -2.0576 | |
| 231 | S | A | -1.5089 | |
| 232 | G | A | -1.3041 | |
| 233 | G | A | -1.2536 | |
| 234 | T | A | -0.5950 | |
| 235 | Q | A | -0.6881 | |
| 236 | V | A | 0.3083 | |
| 237 | Q | A | -1.2237 | |
| 238 | Q | A | -1.5328 | |
| 239 | T | A | -1.0443 | |
| 240 | P | A | -0.4777 | |
| 241 | A | A | -0.0381 | |
| 242 | S | A | 0.0546 | |
| 243 | C | A | 0.8366 | |
| 244 | P | A | 0.5313 | |
| 245 | L | A | 0.6964 | |
| 246 | D | A | -1.4243 | |
| 247 | S | A | -1.3619 | |
| 248 | D | A | -1.7855 | |
| 249 | L | A | -0.9269 | |
| 250 | S | A | -1.9898 | |
| 251 | E | A | -3.4879 | |
| 252 | D | A | -3.5507 | |
| 253 | E | A | -3.4377 | |
| 254 | D | A | -2.8470 | |
| 255 | L | A | -1.0842 | |
| 256 | Q | A | -1.4708 | |
| 257 | L | A | 0.1601 | |
| 258 | A | A | 0.5898 | |
| 259 | M | A | 0.9819 | |
| 260 | A | A | 1.1409 | |
| 261 | Y | A | 1.7435 | |
| 262 | S | A | 0.7804 | |
| 263 | L | A | 1.2941 | |
| 264 | S | A | -0.1096 | |
| 265 | E | A | -1.1100 | |
| 266 | M | A | -0.3334 | |
| 267 | E | A | -1.8722 | |
| 268 | A | A | -1.2557 | |
| 269 | A | A | -1.4486 | |
| 270 | G | A | -1.9754 | |
| 271 | K | A | -2.8786 | |
| 272 | K | A | -2.7927 | |
| 273 | P | A | -1.6425 | |
| 274 | A | A | -1.0047 | |
| 275 | G | A | -1.3387 | |
| 276 | G | A | -2.0193 | |
| 277 | R | A | -3.1812 | |
| 278 | E | A | -3.0649 | |
| 279 | A | A | -2.0412 | |
| 280 | Q | A | -2.8052 | |
| 281 | H | A | -2.8414 | |
| 282 | R | A | -3.8267 | |
| 283 | R | A | -3.8463 | |
| 284 | Q | A | -3.1322 | |
| 285 | G | A | -2.4763 | |
| 286 | R | A | -2.7479 | |
| 287 | P | A | -2.0206 | |
| 288 | K | A | -2.3785 | |
| 289 | A | A | -1.6615 | |
| 290 | Q | A | -2.2742 | |
| 291 | H | A | -2.5853 | |
| 292 | Q | A | -3.0098 | |
| 293 | D | A | -2.8861 | |
| 294 | P | A | -1.2448 | |
| 295 | G | A | -0.2159 | |
| 296 | L | A | 0.9232 | |
| 297 | G | A | -0.0869 | |
| 298 | G | A | -0.6825 | |
| 299 | T | A | -1.3746 | |
| 300 | Q | A | -2.3969 | |
| 301 | E | A | -2.7085 | |
| 302 | G | A | -2.0775 | |
| 303 | A | A | -1.6097 | |
| 304 | R | A | -2.5374 | |
| 305 | G | A | -2.3069 | |
| 306 | E | A | -2.4685 | |
| 307 | A | A | -1.3159 | |
| 308 | T | A | -1.6455 | |
| 309 | K | A | -2.8018 | |
| 310 | R | A | -2.9679 | |
| 311 | S | A | -1.6382 | |
| 312 | P | A | -1.1153 | |
| 313 | S | A | -0.9501 | |
| 314 | P | A | -1.8140 | |
| 315 | E | A | -3.2547 | |
| 316 | E | A | -3.6295 | |
| 317 | K | A | -3.2735 | |
| 318 | A | A | -2.1300 | |
| 319 | S | A | -1.4168 | |
| 320 | R | A | -1.2438 | |
| 321 | C | A | 1.1179 | |
| 322 | L | A | 2.8454 | |
| 323 | I | A | 3.4914 | |
| 324 | L | A | 2.8552 |
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