| Chain sequence(s) |
A: DIDECVEEPEICALGTCSNTEGSFKCLCPEGFSLSSSGRRCQDLRMSYCYAKFEGGKCSSPKSRNHSKQECCCALKGEGWGDPCELCPTEPDEAFRQICPYGSGIIVGPDDSAVDMDECKEPDVCKHGQCINTDGSYRCECPFGYILAGNECVDENECQTKPGICENGRCLNTRGSYTCECNDGFTASPNQDECLDNREGYCFTEVLQNMCQIGSSNRNPVTKSECCCDGGRGWGPHCEICPFQGTVAFKKLCPHGRGFMTNGADIDECKVIHDVCRNGECVNDRGSYHCICKTGYTPDITGTSCV
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 (00:03:48)
[INFO] Main: Simulation completed successfully. (00:03:50)
|
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 | D | A | -1.7850 | |
| 2 | I | A | 0.1950 | |
| 3 | D | A | -0.9474 | |
| 4 | E | A | -1.3991 | |
| 5 | C | A | -0.9779 | |
| 6 | V | A | -0.0548 | |
| 7 | E | A | -2.0734 | |
| 8 | E | A | -2.9734 | |
| 9 | P | A | -1.9972 | |
| 10 | E | A | -2.6704 | |
| 11 | I | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | A | A | -0.7367 | |
| 14 | L | A | 0.0289 | |
| 15 | G | A | -0.1723 | |
| 16 | T | A | -0.3988 | |
| 17 | C | A | -0.8361 | |
| 18 | S | A | -0.6297 | |
| 19 | N | A | -1.3444 | |
| 20 | T | A | -1.7878 | |
| 21 | E | A | -2.4291 | |
| 22 | G | A | -1.6183 | |
| 23 | S | A | -1.3340 | |
| 24 | F | A | -1.1895 | |
| 25 | K | A | -1.7558 | |
| 26 | C | A | 0.0000 | |
| 27 | L | A | 0.2141 | |
| 28 | C | A | -0.0099 | |
| 29 | P | A | -0.6731 | |
| 30 | E | A | -1.8289 | |
| 31 | G | A | -0.9615 | |
| 32 | F | A | 0.1109 | |
| 33 | S | A | 0.3897 | |
| 34 | L | A | 0.5079 | |
| 35 | S | A | -0.6898 | |
| 36 | S | A | -1.1183 | |
| 37 | S | A | -1.1669 | |
| 38 | G | A | -1.0949 | |
| 39 | R | A | -1.6212 | |
| 40 | R | A | 0.0000 | |
| 41 | C | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | D | A | 0.3882 | |
| 44 | L | A | 1.1667 | |
| 45 | R | A | 0.1222 | |
| 46 | M | A | 0.5904 | |
| 47 | S | A | -0.1729 | |
| 48 | Y | A | -0.1909 | |
| 49 | C | A | 0.0000 | |
| 50 | Y | A | 0.0000 | |
| 51 | A | A | -1.5541 | |
| 52 | K | A | -2.6800 | |
| 53 | F | A | -2.1460 | |
| 54 | E | A | -2.9180 | |
| 55 | G | A | -2.0110 | |
| 56 | G | A | -1.8262 | |
| 57 | K | A | -2.6820 | |
| 58 | C | A | -1.9864 | |
| 59 | S | A | -1.4770 | |
| 60 | S | A | -0.7930 | |
| 61 | P | A | -1.0534 | |
| 62 | K | A | -1.1256 | |
| 63 | S | A | -1.4835 | |
| 64 | R | A | -1.8928 | |
| 65 | N | A | -1.2872 | |
| 66 | H | A | 0.0000 | |
| 67 | S | A | 0.1875 | |
| 68 | K | A | -0.1025 | |
| 69 | Q | A | 0.0000 | |
| 70 | E | A | -0.4906 | |
| 71 | C | A | 0.0000 | |
| 72 | C | A | 0.0000 | |
| 73 | C | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | -2.2805 | |
| 77 | G | A | -1.6162 | |
| 78 | E | A | -1.9880 | |
| 79 | G | A | 0.0000 | |
| 80 | W | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | D | A | -1.8682 | |
| 83 | P | A | -1.4226 | |
| 84 | C | A | -1.0921 | |
| 85 | E | A | -0.9107 | |
| 86 | L | A | 0.1726 | |
| 87 | C | A | 0.0000 | |
| 88 | P | A | -1.1499 | |
| 89 | T | A | -2.0293 | |
| 90 | E | A | -3.1563 | |
| 91 | P | A | -2.7658 | |
| 92 | D | A | -3.4535 | |
| 93 | E | A | -2.8591 | |
| 94 | A | A | -1.8754 | |
| 95 | F | A | 0.0000 | |
| 96 | R | A | -2.5084 | |
| 97 | Q | A | -1.5089 | |
| 98 | I | A | 0.0000 | |
| 99 | C | A | 0.0000 | |
| 100 | P | A | -0.3676 | |
| 101 | Y | A | 0.6413 | |
| 102 | G | A | -0.2855 | |
| 103 | S | A | -0.6313 | |
| 104 | G | A | 0.0000 | |
| 105 | I | A | 0.0203 | |
| 106 | I | A | 0.4335 | |
| 107 | V | A | 0.0000 | |
| 108 | G | A | 0.0000 | |
| 109 | P | A | -0.9424 | |
| 110 | D | A | -2.1571 | |
| 111 | D | A | -1.4803 | |
| 112 | S | A | -0.5520 | |
| 113 | A | A | 0.2150 | |
| 114 | V | A | 0.3449 | |
| 115 | D | A | -0.9192 | |
| 116 | M | A | 0.0000 | |
| 117 | D | A | -1.6539 | |
| 118 | E | A | 0.0000 | |
| 119 | C | A | -1.5046 | |
| 120 | K | A | -2.2164 | |
| 121 | E | A | -1.8581 | |
| 122 | P | A | -1.8905 | |
| 123 | D | A | -2.9809 | |
| 124 | V | A | -2.0395 | |
| 125 | C | A | 0.0000 | |
| 126 | K | A | -2.8085 | |
| 127 | H | A | -2.3329 | |
| 128 | G | A | -2.0206 | |
| 129 | Q | A | -2.3390 | |
| 130 | C | A | -1.8088 | |
| 131 | I | A | -0.6887 | |
| 132 | N | A | -1.4633 | |
| 133 | T | A | -1.4775 | |
| 134 | D | A | -2.1281 | |
| 135 | G | A | -1.0995 | |
| 136 | S | A | -1.2121 | |
| 137 | Y | A | -0.9470 | |
| 138 | R | A | -1.6537 | |
| 139 | C | A | -1.6157 | |
| 140 | E | A | -1.6869 | |
| 141 | C | A | -0.5137 | |
| 142 | P | A | 0.4459 | |
| 143 | F | A | 1.7317 | |
| 144 | G | A | 0.4795 | |
| 145 | Y | A | 0.4522 | |
| 146 | I | A | 1.2037 | |
| 147 | L | A | 0.5702 | |
| 148 | A | A | 0.0084 | |
| 149 | G | A | -0.7571 | |
| 150 | N | A | -1.6869 | |
| 151 | E | A | -1.9162 | |
| 152 | C | A | 0.0000 | |
| 153 | V | A | -0.1623 | |
| 154 | D | A | -0.6627 | |
| 155 | E | A | -0.6855 | |
| 156 | N | A | -1.6225 | |
| 157 | E | A | 0.0000 | |
| 158 | C | A | -1.2543 | |
| 159 | Q | A | -1.8116 | |
| 160 | T | A | -1.3342 | |
| 161 | K | A | -1.5167 | |
| 162 | P | A | -1.3319 | |
| 163 | G | A | -1.6843 | |
| 164 | I | A | -1.3513 | |
| 165 | C | A | 0.0000 | |
| 166 | E | A | -3.0524 | |
| 167 | N | A | -2.9042 | |
| 168 | G | A | -3.1901 | |
| 169 | R | A | -3.1778 | |
| 170 | C | A | -1.9165 | |
| 171 | L | A | -0.7014 | |
| 172 | N | A | -1.3191 | |
| 173 | T | A | -1.3340 | |
| 174 | R | A | -2.2618 | |
| 175 | G | A | -0.8566 | |
| 176 | S | A | -0.8006 | |
| 177 | Y | A | -0.9002 | |
| 178 | T | A | -1.3132 | |
| 179 | C | A | 0.0000 | |
| 180 | E | A | -3.3611 | |
| 181 | C | A | -2.9056 | |
| 182 | N | A | -3.2353 | |
| 183 | D | A | -2.9563 | |
| 184 | G | A | -2.2069 | |
| 185 | F | A | -2.0124 | |
| 186 | T | A | -1.3902 | |
| 187 | A | A | -1.3501 | |
| 188 | S | A | 0.0000 | |
| 189 | P | A | -1.3163 | |
| 190 | N | A | -2.0565 | |
| 191 | Q | A | -2.1580 | |
| 192 | D | A | -2.0218 | |
| 193 | E | A | -2.3971 | |
| 194 | C | A | -2.0151 | |
| 195 | L | A | -1.2335 | |
| 196 | D | A | -1.8562 | |
| 197 | N | A | -2.3392 | |
| 198 | R | A | -2.4663 | |
| 199 | E | A | -2.6027 | |
| 200 | G | A | 0.0000 | |
| 201 | Y | A | -0.2234 | |
| 202 | C | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | T | A | -1.4281 | |
| 205 | E | A | -1.3255 | |
| 206 | V | A | -0.3944 | |
| 207 | L | A | -0.2004 | |
| 208 | Q | A | -1.0088 | |
| 209 | N | A | -1.2189 | |
| 210 | M | A | 0.4020 | |
| 211 | C | A | 0.0000 | |
| 212 | Q | A | 0.3370 | |
| 213 | I | A | 1.6833 | |
| 214 | G | A | 0.1656 | |
| 215 | S | A | 0.0000 | |
| 216 | S | A | -0.4946 | |
| 217 | N | A | 0.0000 | |
| 218 | R | A | -2.4106 | |
| 219 | N | A | -2.2073 | |
| 220 | P | A | -1.5152 | |
| 221 | V | A | 0.0000 | |
| 222 | T | A | -1.3425 | |
| 223 | K | A | -0.9091 | |
| 224 | S | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | C | A | 0.0000 | |
| 228 | C | A | 0.0000 | |
| 229 | D | A | -1.3974 | |
| 230 | G | A | -1.2184 | |
| 231 | G | A | -1.0592 | |
| 232 | R | A | -1.8859 | |
| 233 | G | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | P | A | -0.8510 | |
| 237 | H | A | -0.9292 | |
| 238 | C | A | -0.5299 | |
| 239 | E | A | -0.5934 | |
| 240 | I | A | 0.2093 | |
| 241 | C | A | 0.0000 | |
| 242 | P | A | 0.2354 | |
| 243 | F | A | 1.0135 | |
| 244 | Q | A | -0.9334 | |
| 245 | G | A | -0.5365 | |
| 246 | T | A | 0.1279 | |
| 247 | V | A | 0.7393 | |
| 248 | A | A | -0.1113 | |
| 249 | F | A | 0.0000 | |
| 250 | K | A | -2.3731 | |
| 251 | K | A | -2.1282 | |
| 252 | L | A | -1.2527 | |
| 253 | C | A | 0.0000 | |
| 254 | P | A | -2.0798 | |
| 255 | H | A | -2.1523 | |
| 256 | G | A | -2.2134 | |
| 257 | R | A | -2.6183 | |
| 258 | G | A | 0.0000 | |
| 259 | F | A | -1.3722 | |
| 260 | M | A | -0.9073 | |
| 261 | T | A | -1.2649 | |
| 262 | N | A | -1.4350 | |
| 263 | G | A | -1.0409 | |
| 264 | A | A | -1.0510 | |
| 265 | D | A | -1.9467 | |
| 266 | I | A | 0.0000 | |
| 267 | D | A | -1.4673 | |
| 268 | E | A | 0.0000 | |
| 269 | C | A | -0.9395 | |
| 270 | K | A | -1.5265 | |
| 271 | V | A | 0.0000 | |
| 272 | I | A | -0.9276 | |
| 273 | H | A | -1.8740 | |
| 274 | D | A | -2.5580 | |
| 275 | V | A | -1.5093 | |
| 276 | C | A | 0.0000 | |
| 277 | R | A | -2.4044 | |
| 278 | N | A | -1.6347 | |
| 279 | G | A | -1.4707 | |
| 280 | E | A | -1.8011 | |
| 281 | C | A | -0.8370 | |
| 282 | V | A | -0.0179 | |
| 283 | N | A | -1.3375 | |
| 284 | D | A | -2.0846 | |
| 285 | R | A | -2.6447 | |
| 286 | G | A | -1.9782 | |
| 287 | S | A | -1.5277 | |
| 288 | Y | A | -0.8924 | |
| 289 | H | A | -0.2616 | |
| 290 | C | A | 0.0000 | |
| 291 | I | A | 0.9648 | |
| 292 | C | A | -0.4225 | |
| 293 | K | A | -1.6854 | |
| 294 | T | A | -0.7811 | |
| 295 | G | A | -0.4598 | |
| 296 | Y | A | 0.2971 | |
| 297 | T | A | 0.6367 | |
| 298 | P | A | 0.6345 | |
| 299 | D | A | 0.7592 | |
| 300 | I | A | 1.6175 | |
| 301 | T | A | 0.5857 | |
| 302 | G | A | 0.4286 | |
| 303 | T | A | 0.1676 | |
| 304 | S | A | -0.0247 | |
| 305 | C | A | 0.0000 | |
| 306 | V | A | 1.2496 |
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