| Chain sequence(s) |
A: GPLGSMRRSKADVERYIASVQGSTPSPRQKSIKGFYFAKLYYEAKEYDLAKKYICTYINVQERDPKAHRFLGLLYELEENTDKAVECYRRSVELNPTQKDLVLKIAELLCKNDVTDGRAKYWVERAAKLFPGSPAVYKLKEQLLDCEGEDEAAAKEAAAKGPLGSMRRSKADVERYIASVQGSTPSPRQKSIKGFYFAKLYYEAKEYDLAKKYICTYINVQERDPKAHRFLGLLYELEENTDKAVECYRRSVELNPTQKDLVLKIAELLCKNDVTDGRAKYWVERAAKLFPGSPAVYKLKEQLLDCEGED
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:18:26)
[INFO] Main: Simulation completed successfully. (00:18:29)
|
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 | G | A | -0.2581 | |
| 2 | P | A | 0.0984 | |
| 3 | L | A | 1.2046 | |
| 4 | G | A | 0.0608 | |
| 5 | S | A | -0.1887 | |
| 6 | M | A | -0.1078 | |
| 7 | R | A | -2.5592 | |
| 8 | R | A | -2.6968 | |
| 9 | S | A | -2.5108 | |
| 10 | K | A | -2.8703 | |
| 11 | A | A | -2.2524 | |
| 12 | D | A | -3.2211 | |
| 13 | V | A | 0.0000 | |
| 14 | E | A | -2.5269 | |
| 15 | R | A | -2.7312 | |
| 16 | Y | A | -1.0910 | |
| 17 | I | A | 0.0000 | |
| 18 | A | A | -1.0888 | |
| 19 | S | A | -0.7434 | |
| 20 | V | A | -0.5362 | |
| 21 | Q | A | -1.0064 | |
| 22 | G | A | -0.7288 | |
| 23 | S | A | -0.6311 | |
| 24 | T | A | 0.0000 | |
| 25 | P | A | -1.0274 | |
| 26 | S | A | -1.3540 | |
| 27 | P | A | -1.5420 | |
| 28 | R | A | -2.4110 | |
| 29 | Q | A | -1.7947 | |
| 30 | K | A | -1.6118 | |
| 31 | S | A | -0.8336 | |
| 32 | I | A | 0.0771 | |
| 33 | K | A | -0.1437 | |
| 34 | G | A | 0.0000 | |
| 35 | F | A | 0.7200 | |
| 36 | Y | A | 1.0837 | |
| 37 | F | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | K | A | -0.5093 | |
| 40 | L | A | 0.0000 | |
| 41 | Y | A | 0.0000 | |
| 42 | Y | A | -1.2018 | |
| 43 | E | A | -1.7843 | |
| 44 | A | A | -2.3364 | |
| 45 | K | A | -2.6245 | |
| 46 | E | A | -1.9241 | |
| 47 | Y | A | -1.6426 | |
| 48 | D | A | -2.4734 | |
| 49 | L | A | -1.4570 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -1.4260 | |
| 52 | K | A | -1.7640 | |
| 53 | Y | A | -0.6033 | |
| 54 | I | A | 0.0000 | |
| 55 | C | A | -0.6718 | |
| 56 | T | A | -0.8460 | |
| 57 | Y | A | -0.5196 | |
| 58 | I | A | -1.1960 | |
| 59 | N | A | -1.7323 | |
| 60 | V | A | -1.2598 | |
| 61 | Q | A | -1.6011 | |
| 62 | E | A | -2.6919 | |
| 63 | R | A | -3.3132 | |
| 64 | D | A | -2.3128 | |
| 65 | P | A | -2.5005 | |
| 66 | K | A | -2.1990 | |
| 67 | A | A | 0.0000 | |
| 68 | H | A | 0.0000 | |
| 69 | R | A | -1.6081 | |
| 70 | F | A | -0.5619 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | L | A | -0.1368 | |
| 74 | L | A | 0.0000 | |
| 75 | Y | A | -1.8122 | |
| 76 | E | A | -1.4681 | |
| 77 | L | A | -0.5580 | |
| 78 | E | A | -2.6858 | |
| 79 | E | A | -3.1227 | |
| 80 | N | A | -2.7520 | |
| 81 | T | A | -2.7936 | |
| 82 | D | A | -3.2469 | |
| 83 | K | A | -3.2846 | |
| 84 | A | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | E | A | -3.1379 | |
| 87 | C | A | -2.1833 | |
| 88 | Y | A | 0.0000 | |
| 89 | R | A | -2.7101 | |
| 90 | R | A | -2.8734 | |
| 91 | S | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | E | A | -2.7105 | |
| 94 | L | A | -2.1832 | |
| 95 | N | A | -1.8899 | |
| 96 | P | A | -1.5341 | |
| 97 | T | A | -1.0138 | |
| 98 | Q | A | -1.5963 | |
| 99 | K | A | -1.5757 | |
| 100 | D | A | -1.7676 | |
| 101 | L | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | L | A | -1.0358 | |
| 104 | K | A | -1.1794 | |
| 105 | I | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | E | A | -1.4958 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | C | A | -1.9290 | |
| 111 | K | A | -2.5355 | |
| 112 | N | A | -2.5212 | |
| 113 | D | A | -2.1934 | |
| 114 | V | A | -1.7307 | |
| 115 | T | A | -1.6858 | |
| 116 | D | A | -2.3478 | |
| 117 | G | A | -1.2540 | |
| 118 | R | A | -0.9495 | |
| 119 | A | A | 0.0000 | |
| 120 | K | A | -1.5529 | |
| 121 | Y | A | -0.3911 | |
| 122 | W | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | E | A | -2.4709 | |
| 125 | R | A | -1.9665 | |
| 126 | A | A | 0.0000 | |
| 127 | A | A | -1.5006 | |
| 128 | K | A | -2.2044 | |
| 129 | L | A | -1.0223 | |
| 130 | F | A | -0.5815 | |
| 131 | P | A | -0.5521 | |
| 132 | G | A | -0.4847 | |
| 133 | S | A | -0.2119 | |
| 134 | P | A | -0.4720 | |
| 135 | A | A | -0.6659 | |
| 136 | V | A | 0.0000 | |
| 137 | Y | A | -0.6227 | |
| 138 | K | A | -2.2734 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -2.3591 | |
| 141 | E | A | -2.7577 | |
| 142 | Q | A | -2.8121 | |
| 143 | L | A | -1.5276 | |
| 144 | L | A | -1.7202 | |
| 145 | D | A | -1.5718 | |
| 146 | C | A | -0.9964 | |
| 147 | E | A | -2.6076 | |
| 148 | G | A | -2.1264 | |
| 149 | E | A | -3.6450 | |
| 150 | D | A | -3.8871 | |
| 151 | E | A | -3.5216 | |
| 152 | A | A | -2.8914 | |
| 153 | A | A | -2.7696 | |
| 154 | A | A | -2.5073 | |
| 155 | K | A | -3.1654 | |
| 156 | E | A | -2.7744 | |
| 157 | A | A | -1.7383 | |
| 158 | A | A | -1.4920 | |
| 159 | A | A | -1.5060 | |
| 160 | K | A | -1.9642 | |
| 161 | G | A | -0.8553 | |
| 162 | P | A | -0.2100 | |
| 163 | L | A | 0.8663 | |
| 164 | G | A | -0.3962 | |
| 165 | S | A | -0.5053 | |
| 166 | M | A | -0.2241 | |
| 167 | R | A | -2.5448 | |
| 168 | R | A | -2.8433 | |
| 169 | S | A | -2.6460 | |
| 170 | K | A | -2.7966 | |
| 171 | A | A | -1.8993 | |
| 172 | D | A | -2.5059 | |
| 173 | V | A | 0.0000 | |
| 174 | E | A | -2.2159 | |
| 175 | R | A | -2.4677 | |
| 176 | Y | A | -0.9331 | |
| 177 | I | A | 0.0000 | |
| 178 | A | A | -0.9511 | |
| 179 | S | A | -0.6116 | |
| 180 | V | A | -0.1597 | |
| 181 | Q | A | -0.6977 | |
| 182 | G | A | -0.6418 | |
| 183 | S | A | -0.5102 | |
| 184 | T | A | -0.6477 | |
| 185 | P | A | -1.1687 | |
| 186 | S | A | -1.3829 | |
| 187 | P | A | -1.6059 | |
| 188 | R | A | -2.6316 | |
| 189 | Q | A | -2.5138 | |
| 190 | K | A | -2.1912 | |
| 191 | S | A | 0.0000 | |
| 192 | I | A | -1.1093 | |
| 193 | K | A | -0.9268 | |
| 194 | G | A | 0.0000 | |
| 195 | F | A | -0.4504 | |
| 196 | Y | A | -0.1729 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | K | A | -0.9815 | |
| 200 | L | A | -1.2716 | |
| 201 | Y | A | 0.0000 | |
| 202 | Y | A | -1.7407 | |
| 203 | E | A | -3.0767 | |
| 204 | A | A | -2.8426 | |
| 205 | K | A | -2.8656 | |
| 206 | E | A | -2.1688 | |
| 207 | Y | A | -1.7969 | |
| 208 | D | A | -2.5297 | |
| 209 | L | A | -1.4998 | |
| 210 | A | A | 0.0000 | |
| 211 | K | A | -1.4985 | |
| 212 | K | A | -1.7796 | |
| 213 | Y | A | -0.9733 | |
| 214 | I | A | 0.0000 | |
| 215 | C | A | -0.5711 | |
| 216 | T | A | -0.9521 | |
| 217 | Y | A | 0.0000 | |
| 218 | I | A | -0.8363 | |
| 219 | N | A | -1.2056 | |
| 220 | V | A | -0.7724 | |
| 221 | Q | A | -0.9387 | |
| 222 | E | A | -1.7252 | |
| 223 | R | A | -2.9231 | |
| 224 | D | A | -1.8023 | |
| 225 | P | A | -2.0370 | |
| 226 | K | A | -1.8429 | |
| 227 | A | A | 0.0000 | |
| 228 | H | A | 0.0000 | |
| 229 | R | A | -1.5922 | |
| 230 | F | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | L | A | -0.2356 | |
| 234 | L | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | E | A | -1.5307 | |
| 237 | L | A | -0.6375 | |
| 238 | E | A | -2.7575 | |
| 239 | E | A | -3.2251 | |
| 240 | N | A | -2.9087 | |
| 241 | T | A | -3.0165 | |
| 242 | D | A | -3.3412 | |
| 243 | K | A | -3.2284 | |
| 244 | A | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | E | A | -3.2297 | |
| 247 | C | A | -2.1886 | |
| 248 | Y | A | 0.0000 | |
| 249 | R | A | -2.6933 | |
| 250 | R | A | -2.7342 | |
| 251 | S | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | E | A | -2.4930 | |
| 254 | L | A | -1.7283 | |
| 255 | N | A | -1.4997 | |
| 256 | P | A | -1.1898 | |
| 257 | T | A | -0.8724 | |
| 258 | Q | A | 0.0000 | |
| 259 | K | A | -1.5253 | |
| 260 | D | A | -1.8426 | |
| 261 | L | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | L | A | -1.1044 | |
| 264 | K | A | -1.3004 | |
| 265 | I | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | E | A | -1.6822 | |
| 268 | L | A | -1.8948 | |
| 269 | L | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | K | A | -2.7756 | |
| 272 | N | A | -3.1573 | |
| 273 | D | A | -2.2656 | |
| 274 | V | A | -1.7835 | |
| 275 | T | A | -1.2596 | |
| 276 | D | A | -1.3330 | |
| 277 | G | A | -1.2138 | |
| 278 | R | A | -1.2094 | |
| 279 | A | A | 0.0000 | |
| 280 | K | A | -1.7684 | |
| 281 | Y | A | -0.7439 | |
| 282 | W | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | E | A | -2.5975 | |
| 285 | R | A | -1.9520 | |
| 286 | A | A | 0.0000 | |
| 287 | A | A | -1.4552 | |
| 288 | K | A | -2.1730 | |
| 289 | L | A | -1.0316 | |
| 290 | F | A | -0.6995 | |
| 291 | P | A | -0.5378 | |
| 292 | G | A | -0.4618 | |
| 293 | S | A | -0.1484 | |
| 294 | P | A | -0.4254 | |
| 295 | A | A | -0.4760 | |
| 296 | V | A | 0.0000 | |
| 297 | Y | A | -0.3960 | |
| 298 | K | A | -1.8712 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -2.0182 | |
| 301 | E | A | -1.9504 | |
| 302 | Q | A | -2.0305 | |
| 303 | L | A | 0.0000 | |
| 304 | L | A | -1.3055 | |
| 305 | D | A | -2.4505 | |
| 306 | C | A | -1.4955 | |
| 307 | E | A | -2.5853 | |
| 308 | G | A | -2.8159 | |
| 309 | E | A | -3.3350 | |
| 310 | D | A | -3.0981 |
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