| Chain sequence(s) |
A: GAKPFGEKKFIEIKGRRMAYIDEGTGDPILFQHGNPTSSYLWRNIMPHCAGLGRLIACDLIGMGDSDKLDPSGPERYAYAEHRDYLDALWEALDLGDRVVLVVHDWGSALGFDWARRHRERVQGIAYMEAIAMPIEWADFPEQDRDLFQAFRSQAGEELVLQDNVFVEQVLPGLILRPLSEAEMAAYREPFLAAGEARRPTLSWPRQIPIAGTPADVVAIARDYAGWLSESPIPKLFINAEPGALTTGRMRDFCRTWPNQTEITVAGAHFIQEDSPDEIGAAIAAFVRRLRPA
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 (00:03:12)
[INFO] Main: Simulation completed successfully. (00:03:14)
|
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 | |
| 4 | G | A | -1.0561 | |
| 5 | A | A | -1.2981 | |
| 6 | K | A | -1.9247 | |
| 7 | P | A | -1.4516 | |
| 8 | F | A | -1.1928 | |
| 9 | G | A | -1.8693 | |
| 10 | E | A | -2.6109 | |
| 11 | K | A | -2.1744 | |
| 12 | K | A | -1.8963 | |
| 13 | F | A | -0.8496 | |
| 14 | I | A | -1.0398 | |
| 15 | E | A | -2.7614 | |
| 16 | I | A | 0.0000 | |
| 17 | K | A | -2.8256 | |
| 18 | G | A | -2.3885 | |
| 19 | R | A | -2.6998 | |
| 20 | R | A | -2.9604 | |
| 21 | M | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | D | A | -1.6287 | |
| 26 | E | A | -2.3677 | |
| 27 | G | A | -1.6211 | |
| 28 | T | A | -1.2311 | |
| 29 | G | A | -1.4861 | |
| 30 | D | A | -2.0366 | |
| 31 | P | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | Q | A | 0.0000 | |
| 36 | H | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | N | A | 0.0000 | |
| 39 | P | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | W | A | 0.0000 | |
| 46 | R | A | 0.0000 | |
| 47 | N | A | -1.1022 | |
| 48 | I | A | 0.0000 | |
| 49 | M | A | 0.0000 | |
| 50 | P | A | -0.6502 | |
| 51 | H | A | -1.0124 | |
| 52 | C | A | 0.0000 | |
| 53 | A | A | -0.5738 | |
| 54 | G | A | -0.7447 | |
| 55 | L | A | -0.7898 | |
| 56 | G | A | 0.0000 | |
| 57 | R | A | -1.4208 | |
| 58 | L | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | D | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | M | A | 0.0000 | |
| 67 | G | A | -1.4794 | |
| 68 | D | A | -2.4201 | |
| 69 | S | A | 0.0000 | |
| 70 | D | A | -2.5849 | |
| 71 | K | A | -2.0184 | |
| 72 | L | A | 0.0000 | |
| 73 | D | A | -2.3972 | |
| 74 | P | A | -1.7490 | |
| 75 | S | A | -1.6371 | |
| 76 | G | A | -1.3964 | |
| 77 | P | A | -1.4618 | |
| 78 | E | A | -2.1852 | |
| 79 | R | A | -1.7254 | |
| 80 | Y | A | 0.0000 | |
| 81 | A | A | -0.7582 | |
| 82 | Y | A | 0.0000 | |
| 83 | A | A | -0.9482 | |
| 84 | E | A | -1.3016 | |
| 85 | H | A | 0.0000 | |
| 86 | R | A | -1.3719 | |
| 87 | D | A | -2.2535 | |
| 88 | Y | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | D | A | -1.4420 | |
| 91 | A | A | -1.7304 | |
| 92 | L | A | 0.0000 | |
| 93 | W | A | 0.0000 | |
| 94 | E | A | -2.4542 | |
| 95 | A | A | -1.6193 | |
| 96 | L | A | 0.0000 | |
| 97 | D | A | -2.6237 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -2.5057 | |
| 100 | D | A | -3.6221 | |
| 101 | R | A | -2.9096 | |
| 102 | V | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | D | A | -0.1725 | |
| 109 | W | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | D | A | 0.0000 | |
| 117 | W | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | R | A | -1.5930 | |
| 120 | R | A | -1.5229 | |
| 121 | H | A | -2.1533 | |
| 122 | R | A | -3.0470 | |
| 123 | E | A | -3.4447 | |
| 124 | R | A | -3.2587 | |
| 125 | V | A | 0.0000 | |
| 126 | Q | A | -1.5028 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | M | A | 0.0000 | |
| 132 | E | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | M | A | -0.9664 | |
| 137 | P | A | -0.9478 | |
| 138 | I | A | 0.0000 | |
| 139 | E | A | -1.5973 | |
| 140 | W | A | -1.1337 | |
| 141 | A | A | -1.0400 | |
| 142 | D | A | -1.4927 | |
| 143 | F | A | 0.0000 | |
| 144 | P | A | -1.7297 | |
| 145 | E | A | -2.9014 | |
| 146 | Q | A | -2.6091 | |
| 147 | D | A | -2.1269 | |
| 148 | R | A | -2.4049 | |
| 149 | D | A | -2.6925 | |
| 150 | L | A | -1.3776 | |
| 151 | F | A | 0.0000 | |
| 152 | Q | A | -1.5597 | |
| 153 | A | A | -1.2005 | |
| 154 | F | A | 0.0000 | |
| 155 | R | A | -1.2646 | |
| 156 | S | A | -1.1122 | |
| 157 | Q | A | -1.6425 | |
| 158 | A | A | -1.2827 | |
| 159 | G | A | 0.0000 | |
| 160 | E | A | -2.1230 | |
| 161 | E | A | -2.8977 | |
| 162 | L | A | -1.6255 | |
| 163 | V | A | 0.0000 | |
| 164 | L | A | -1.7355 | |
| 165 | Q | A | -2.7716 | |
| 166 | D | A | -2.9146 | |
| 167 | N | A | 0.0000 | |
| 168 | V | A | -1.2885 | |
| 169 | F | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | E | A | -1.4404 | |
| 172 | Q | A | -1.7295 | |
| 173 | V | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | P | A | -0.6200 | |
| 176 | G | A | -0.9260 | |
| 177 | L | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | L | A | 0.8270 | |
| 180 | R | A | -0.1668 | |
| 181 | P | A | -0.4403 | |
| 182 | L | A | -0.3404 | |
| 183 | S | A | -0.9891 | |
| 184 | E | A | -1.7632 | |
| 185 | A | A | -1.1356 | |
| 186 | E | A | 0.0000 | |
| 187 | M | A | -0.9416 | |
| 188 | A | A | -0.9001 | |
| 189 | A | A | -1.1784 | |
| 190 | Y | A | 0.0000 | |
| 191 | R | A | -1.0082 | |
| 192 | E | A | -1.7648 | |
| 193 | P | A | -1.1692 | |
| 194 | F | A | 0.0000 | |
| 195 | L | A | 0.8369 | |
| 196 | A | A | 0.2503 | |
| 197 | A | A | -0.6611 | |
| 198 | G | A | -1.0774 | |
| 199 | E | A | -1.3136 | |
| 200 | A | A | -0.4799 | |
| 201 | R | A | 0.0000 | |
| 202 | R | A | 0.0000 | |
| 203 | P | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | W | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | R | A | -0.7116 | |
| 210 | Q | A | -0.5836 | |
| 211 | I | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | A | A | -0.6852 | |
| 215 | G | A | -0.8786 | |
| 216 | T | A | -0.7677 | |
| 217 | P | A | -0.7550 | |
| 218 | A | A | -0.8969 | |
| 219 | D | A | -1.9019 | |
| 220 | V | A | 0.0000 | |
| 221 | V | A | -1.2195 | |
| 222 | A | A | -1.5441 | |
| 223 | I | A | -1.3736 | |
| 224 | A | A | 0.0000 | |
| 225 | R | A | -2.7839 | |
| 226 | D | A | -2.6331 | |
| 227 | Y | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | G | A | -1.6851 | |
| 230 | W | A | -1.5578 | |
| 231 | L | A | 0.0000 | |
| 232 | S | A | -1.3204 | |
| 233 | E | A | -2.0636 | |
| 234 | S | A | 0.0000 | |
| 235 | P | A | -1.0307 | |
| 236 | I | A | -0.9501 | |
| 237 | P | A | -0.7233 | |
| 238 | K | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | E | A | -1.9896 | |
| 245 | P | A | -1.2355 | |
| 246 | G | A | -0.9741 | |
| 247 | A | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | T | A | -1.4427 | |
| 251 | G | A | -1.9393 | |
| 252 | R | A | -3.0724 | |
| 253 | M | A | 0.0000 | |
| 254 | R | A | -2.1980 | |
| 255 | D | A | -3.0973 | |
| 256 | F | A | -1.6879 | |
| 257 | C | A | 0.0000 | |
| 258 | R | A | -2.5774 | |
| 259 | T | A | -1.6115 | |
| 260 | W | A | 0.0000 | |
| 261 | P | A | -1.5576 | |
| 262 | N | A | -1.7059 | |
| 263 | Q | A | -1.3875 | |
| 264 | T | A | -0.8528 | |
| 265 | E | A | -0.7610 | |
| 266 | I | A | -0.0241 | |
| 267 | T | A | -0.6141 | |
| 268 | V | A | 0.0000 | |
| 269 | A | A | -0.7970 | |
| 270 | G | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | H | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | Q | A | 0.0000 | |
| 276 | E | A | 0.0000 | |
| 277 | D | A | -0.6048 | |
| 278 | S | A | 0.0000 | |
| 279 | P | A | -1.7288 | |
| 280 | D | A | -2.8755 | |
| 281 | E | A | -2.6993 | |
| 282 | I | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | A | A | -1.1944 | |
| 285 | A | A | -0.9299 | |
| 286 | I | A | 0.0000 | |
| 287 | A | A | -0.8060 | |
| 288 | A | A | -1.0927 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | R | A | -2.7644 | |
| 292 | R | A | -2.7861 | |
| 293 | L | A | -1.6023 | |
| 294 | R | A | -1.7244 | |
| 295 | P | A | -1.3722 | |
| 296 | A | A | -0.6822 |
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