| Chain sequence(s) |
A: MAEIGTGFPFDPHYVEVLGERMHYVDVGPRDGTPVLFLHGNPTSSYVWRNIIPHVAPTHRCIAPDLIGMGKSDKPDLGYFFDDHVRFMDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARETFQAFRTTDVGRKLIIDQNVFIEGTLPMGVVRPLTEVEMDHYREPFLNPVDREPLWRFPNELPIAGEPANIVALVEEYMDWLHQSPVPKLLFWGTPGVLIPPAEAARLAKSLPNCKAVDIGPGLNLLQEDNPDLIGSEIARWLSTLEISGYPYDVPDYA
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] (00:00:00)
[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 (00:04:58)
[INFO] Main: Simulation completed successfully. (00:05:01)
|
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 | 0.5137 | |
| 2 | A | A | -0.4857 | |
| 3 | E | A | -1.5407 | |
| 4 | I | A | -0.7815 | |
| 5 | G | A | -0.6208 | |
| 6 | T | A | -0.2467 | |
| 7 | G | A | -0.0094 | |
| 8 | F | A | -0.1177 | |
| 9 | P | A | -0.4827 | |
| 10 | F | A | -0.6824 | |
| 11 | D | A | -1.7642 | |
| 12 | P | A | -1.2152 | |
| 13 | H | A | -0.8190 | |
| 14 | Y | A | -0.7177 | |
| 15 | V | A | -0.8727 | |
| 16 | E | A | -2.2431 | |
| 17 | V | A | 0.0000 | |
| 18 | L | A | -0.4233 | |
| 19 | G | A | -1.1115 | |
| 20 | E | A | -1.8272 | |
| 21 | R | A | -2.5728 | |
| 22 | M | A | 0.0000 | |
| 23 | H | A | 0.0000 | |
| 24 | Y | A | -0.4776 | |
| 25 | V | A | 0.0000 | |
| 26 | D | A | -0.5979 | |
| 27 | V | A | -0.4703 | |
| 28 | G | A | -0.9893 | |
| 29 | P | A | -1.8331 | |
| 30 | R | A | -2.9459 | |
| 31 | D | A | -3.0314 | |
| 32 | G | A | -2.1000 | |
| 33 | T | A | -1.6411 | |
| 34 | P | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | H | A | 0.0000 | |
| 40 | G | A | 0.0000 | |
| 41 | N | A | 0.0000 | |
| 42 | P | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | S | A | -0.3417 | |
| 45 | S | A | 0.0000 | |
| 46 | Y | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | W | A | 0.0000 | |
| 49 | R | A | 0.0000 | |
| 50 | N | A | -0.5643 | |
| 51 | I | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | -0.5632 | |
| 54 | H | A | -0.8175 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | -0.3539 | |
| 57 | P | A | -0.4353 | |
| 58 | T | A | -0.6274 | |
| 59 | H | A | 0.0000 | |
| 60 | R | A | -1.2755 | |
| 61 | C | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | P | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | G | A | -1.4379 | |
| 71 | K | A | -2.3113 | |
| 72 | S | A | 0.0000 | |
| 73 | D | A | -2.4076 | |
| 74 | K | A | -1.6794 | |
| 75 | P | A | -1.5629 | |
| 76 | D | A | -1.6586 | |
| 77 | L | A | -0.3719 | |
| 78 | G | A | -0.2579 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.6125 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | -1.9818 | |
| 83 | D | A | -1.3460 | |
| 84 | H | A | 0.0000 | |
| 85 | V | A | -1.4816 | |
| 86 | R | A | -2.3720 | |
| 87 | F | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | D | A | -1.3906 | |
| 90 | A | A | -1.2913 | |
| 91 | F | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | E | A | -2.1482 | |
| 94 | A | A | -1.0491 | |
| 95 | L | A | -0.9077 | |
| 96 | G | A | -1.5438 | |
| 97 | L | A | 0.0000 | |
| 98 | E | A | -2.6918 | |
| 99 | E | A | -2.0398 | |
| 100 | V | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | H | A | 0.0000 | |
| 106 | D | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | S | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | H | A | -0.7398 | |
| 115 | W | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | K | A | -1.5593 | |
| 118 | R | A | -1.5536 | |
| 119 | N | A | -1.3190 | |
| 120 | P | A | 0.0000 | |
| 121 | E | A | -2.4153 | |
| 122 | R | A | -1.9034 | |
| 123 | V | A | 0.0000 | |
| 124 | K | A | -1.0773 | |
| 125 | G | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | M | A | 0.0000 | |
| 130 | E | A | 0.0000 | |
| 131 | F | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | R | A | -0.4738 | |
| 134 | P | A | -0.7537 | |
| 135 | I | A | 0.0000 | |
| 136 | P | A | -1.1740 | |
| 137 | T | A | -1.2937 | |
| 138 | W | A | -2.0110 | |
| 139 | D | A | -3.0340 | |
| 140 | E | A | -3.0192 | |
| 141 | W | A | 0.0000 | |
| 142 | P | A | -1.3614 | |
| 143 | E | A | -1.9018 | |
| 144 | F | A | 0.6663 | |
| 145 | A | A | 0.0000 | |
| 146 | R | A | -1.9316 | |
| 147 | E | A | -2.1621 | |
| 148 | T | A | -1.1028 | |
| 149 | F | A | 0.0000 | |
| 150 | Q | A | -1.4737 | |
| 151 | A | A | -1.0725 | |
| 152 | F | A | 0.0000 | |
| 153 | R | A | -0.8383 | |
| 154 | T | A | -0.7901 | |
| 155 | T | A | -1.0955 | |
| 156 | D | A | -1.7706 | |
| 157 | V | A | -0.3637 | |
| 158 | G | A | 0.0000 | |
| 159 | R | A | -2.0699 | |
| 160 | K | A | -2.5057 | |
| 161 | L | A | -1.3300 | |
| 162 | I | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | D | A | -2.8093 | |
| 165 | Q | A | -2.4925 | |
| 166 | N | A | 0.0000 | |
| 167 | V | A | -0.8927 | |
| 168 | F | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | E | A | -1.2846 | |
| 171 | G | A | -0.6117 | |
| 172 | T | A | -0.1993 | |
| 173 | L | A | 0.0000 | |
| 174 | P | A | -0.1015 | |
| 175 | M | A | 0.5199 | |
| 176 | G | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | V | A | 1.0087 | |
| 179 | R | A | 0.1609 | |
| 180 | P | A | -0.2342 | |
| 181 | L | A | -0.2281 | |
| 182 | T | A | -0.7141 | |
| 183 | E | A | -1.6112 | |
| 184 | V | A | -0.0397 | |
| 185 | E | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | D | A | -2.3581 | |
| 188 | H | A | -1.7751 | |
| 189 | Y | A | 0.0000 | |
| 190 | R | A | -1.8655 | |
| 191 | E | A | -2.5060 | |
| 192 | P | A | -1.6347 | |
| 193 | F | A | 0.0000 | |
| 194 | L | A | 0.3927 | |
| 195 | N | A | -0.3599 | |
| 196 | P | A | -0.2336 | |
| 197 | V | A | 0.8129 | |
| 198 | D | A | -0.1308 | |
| 199 | R | A | 0.0000 | |
| 200 | E | A | -0.5892 | |
| 201 | P | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | W | A | 0.0000 | |
| 204 | R | A | -0.3363 | |
| 205 | F | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | N | A | -0.6620 | |
| 208 | E | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | P | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | A | A | -1.1758 | |
| 213 | G | A | -1.4034 | |
| 214 | E | A | -2.2319 | |
| 215 | P | A | -1.5920 | |
| 216 | A | A | -1.2698 | |
| 217 | N | A | -1.6586 | |
| 218 | I | A | 0.0000 | |
| 219 | V | A | -1.3612 | |
| 220 | A | A | -1.4421 | |
| 221 | L | A | -1.1756 | |
| 222 | V | A | 0.0000 | |
| 223 | E | A | -2.9067 | |
| 224 | E | A | -2.9655 | |
| 225 | Y | A | 0.0000 | |
| 226 | M | A | -2.2077 | |
| 227 | D | A | -3.1340 | |
| 228 | W | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | H | A | -1.6840 | |
| 231 | Q | A | -1.8769 | |
| 232 | S | A | 0.0000 | |
| 233 | P | A | -0.7894 | |
| 234 | V | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | K | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | W | A | -0.3605 | |
| 241 | G | A | 0.0000 | |
| 242 | T | A | -0.3476 | |
| 243 | P | A | -0.1429 | |
| 244 | G | A | 0.0000 | |
| 245 | V | A | 0.0151 | |
| 246 | L | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | P | A | -0.3268 | |
| 249 | P | A | -0.6088 | |
| 250 | A | A | -0.5834 | |
| 251 | E | A | -0.8564 | |
| 252 | A | A | 0.0000 | |
| 253 | A | A | -1.5087 | |
| 254 | R | A | -2.4947 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | -1.8267 | |
| 257 | K | A | -2.6247 | |
| 258 | S | A | -1.8332 | |
| 259 | L | A | 0.0000 | |
| 260 | P | A | -1.3307 | |
| 261 | N | A | -1.5036 | |
| 262 | C | A | -1.2852 | |
| 263 | K | A | -1.4487 | |
| 264 | A | A | -0.9113 | |
| 265 | V | A | -0.6589 | |
| 266 | D | A | -1.3369 | |
| 267 | I | A | 0.0000 | |
| 268 | G | A | -0.6911 | |
| 269 | P | A | -0.3486 | |
| 270 | G | A | 0.0000 | |
| 271 | L | A | 0.3652 | |
| 272 | N | A | 0.1927 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | Q | A | 0.0000 | |
| 276 | E | A | 0.0000 | |
| 277 | D | A | -0.2010 | |
| 278 | N | A | -0.3744 | |
| 279 | P | A | 0.0000 | |
| 280 | D | A | -1.2184 | |
| 281 | L | A | -0.3996 | |
| 282 | I | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | S | A | -0.8107 | |
| 285 | E | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | A | A | -0.9923 | |
| 288 | R | A | -1.8705 | |
| 289 | W | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | S | A | -0.9014 | |
| 292 | T | A | -0.3619 | |
| 293 | L | A | -0.4714 | |
| 294 | E | A | -0.9281 | |
| 295 | I | A | 1.0200 | |
| 296 | S | A | 0.2630 | |
| 297 | G | A | -0.2228 | |
| 298 | Y | A | 0.2155 | |
| 299 | P | A | -0.2889 | |
| 300 | Y | A | -0.8653 | |
| 301 | D | A | -1.7186 | |
| 302 | V | A | -0.6589 | |
| 303 | P | A | -1.1161 | |
| 304 | D | A | -1.6982 | |
| 305 | Y | A | -0.7810 | |
| 306 | A | A | -0.2210 |
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