| Chain sequence(s) |
A: MGMKKNRAFLKWAGGKYPLLDDIKRHLPKGECLVEPFVGAGSVFLNTDFSRYILADINSDLISLYNIVKMRTDEYVQAARELFVPETNCAEVYYQFREEFNKSQDPFRRAVLFLYLNRYGYNGLCRYNLRGEFNVPFGRYKKPYFPEAELYHFAEKAQNAFFYCESYADSMARADDASVVYCDPPYAPLSATANFTAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLLQAWDLYYHVFRRISKLEHHHHHH
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] (00:00:07)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:07)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:07)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:07)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:07)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:18)
[INFO] Main: Simulation completed successfully. (00:04:20)
|
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 | 0.8722 | |
| 2 | G | A | -0.0282 | |
| 3 | M | A | 0.0468 | |
| 4 | K | A | -1.8343 | |
| 5 | K | A | -2.1093 | |
| 6 | N | A | -2.2086 | |
| 7 | R | A | -2.6945 | |
| 8 | A | A | 0.0000 | |
| 9 | F | A | 0.0000 | |
| 10 | L | A | 0.0000 | |
| 11 | K | A | -1.0534 | |
| 12 | W | A | -0.3567 | |
| 13 | A | A | -0.3477 | |
| 14 | G | A | -0.7091 | |
| 15 | G | A | -0.6311 | |
| 16 | K | A | -0.4551 | |
| 17 | Y | A | -0.5445 | |
| 18 | P | A | -0.3868 | |
| 19 | L | A | -0.2674 | |
| 20 | L | A | 0.0000 | |
| 21 | D | A | -2.5830 | |
| 22 | D | A | -3.0604 | |
| 23 | I | A | -2.0200 | |
| 24 | K | A | -2.7721 | |
| 25 | R | A | -3.4680 | |
| 26 | H | A | -2.7698 | |
| 27 | L | A | -1.6642 | |
| 28 | P | A | -1.7522 | |
| 29 | K | A | -2.5895 | |
| 30 | G | A | -2.5021 | |
| 31 | E | A | -3.3503 | |
| 32 | C | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | P | A | 0.0000 | |
| 37 | F | A | 0.8639 | |
| 38 | V | A | 0.0000 | |
| 39 | G | A | 0.0374 | |
| 40 | A | A | 0.0000 | |
| 41 | G | A | 0.0000 | |
| 42 | S | A | -0.5718 | |
| 43 | V | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | T | A | -1.1231 | |
| 48 | D | A | -2.4702 | |
| 49 | F | A | -2.3575 | |
| 50 | S | A | -2.2138 | |
| 51 | R | A | -2.8838 | |
| 52 | Y | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | D | A | 1.2224 | |
| 57 | I | A | 2.1323 | |
| 58 | N | A | 0.7829 | |
| 59 | S | A | 0.2415 | |
| 60 | D | A | -0.1090 | |
| 61 | L | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | S | A | -0.3235 | |
| 64 | L | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | N | A | -0.5813 | |
| 67 | I | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | K | A | -1.3968 | |
| 70 | M | A | -0.6861 | |
| 71 | R | A | -2.3183 | |
| 72 | T | A | -2.4185 | |
| 73 | D | A | -3.3147 | |
| 74 | E | A | -3.4261 | |
| 75 | Y | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | Q | A | -3.4357 | |
| 78 | A | A | -2.4580 | |
| 79 | A | A | 0.0000 | |
| 80 | R | A | -3.0584 | |
| 81 | E | A | -2.7618 | |
| 82 | L | A | 0.0000 | |
| 83 | F | A | -0.9844 | |
| 84 | V | A | -0.8606 | |
| 85 | P | A | -1.2718 | |
| 86 | E | A | -1.6624 | |
| 87 | T | A | -1.2388 | |
| 88 | N | A | -1.5179 | |
| 89 | C | A | -0.8902 | |
| 90 | A | A | -0.9768 | |
| 91 | E | A | -1.5849 | |
| 92 | V | A | -1.1016 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | -0.8780 | |
| 95 | Q | A | -1.8978 | |
| 96 | F | A | -1.4308 | |
| 97 | R | A | -1.9026 | |
| 98 | E | A | -2.9882 | |
| 99 | E | A | -2.4112 | |
| 100 | F | A | 0.0000 | |
| 101 | N | A | -2.7066 | |
| 102 | K | A | -3.1146 | |
| 103 | S | A | -2.5597 | |
| 104 | Q | A | -2.5550 | |
| 105 | D | A | -2.4662 | |
| 106 | P | A | -1.3786 | |
| 107 | F | A | -0.9931 | |
| 108 | R | A | -1.2465 | |
| 109 | R | A | -1.5663 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | N | A | 0.0000 | |
| 118 | R | A | -0.1448 | |
| 119 | Y | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | Y | A | 0.4396 | |
| 122 | N | A | -0.4931 | |
| 123 | G | A | 0.0000 | |
| 124 | L | A | -0.0853 | |
| 125 | C | A | -0.2763 | |
| 126 | R | A | -1.1671 | |
| 127 | Y | A | -0.9199 | |
| 128 | N | A | -0.8264 | |
| 129 | L | A | 0.1857 | |
| 130 | R | A | -1.6297 | |
| 131 | G | A | -1.5323 | |
| 132 | E | A | -2.2707 | |
| 133 | F | A | 0.0000 | |
| 134 | N | A | -1.0278 | |
| 135 | V | A | 0.0000 | |
| 136 | P | A | -0.1713 | |
| 137 | F | A | -0.2400 | |
| 138 | G | A | -0.5144 | |
| 139 | R | A | -1.9459 | |
| 140 | Y | A | -1.2047 | |
| 141 | K | A | -2.4944 | |
| 142 | K | A | -2.1863 | |
| 143 | P | A | 0.0000 | |
| 144 | Y | A | 0.5029 | |
| 145 | F | A | -0.1096 | |
| 146 | P | A | 0.0000 | |
| 147 | E | A | -1.3902 | |
| 148 | A | A | -0.8917 | |
| 149 | E | A | -1.5127 | |
| 150 | L | A | 0.0000 | |
| 151 | Y | A | -1.2153 | |
| 152 | H | A | -2.0125 | |
| 153 | F | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | E | A | -2.8579 | |
| 156 | K | A | -2.6011 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | -2.4918 | |
| 159 | N | A | -2.5383 | |
| 160 | A | A | 0.0000 | |
| 161 | F | A | 0.1832 | |
| 162 | F | A | 0.0000 | |
| 163 | Y | A | 0.7268 | |
| 164 | C | A | 0.9778 | |
| 165 | E | A | 0.7235 | |
| 166 | S | A | 0.8669 | |
| 167 | Y | A | 1.4405 | |
| 168 | A | A | 0.0310 | |
| 169 | D | A | -0.8992 | |
| 170 | S | A | 0.0000 | |
| 171 | M | A | -0.0592 | |
| 172 | A | A | -0.8703 | |
| 173 | R | A | -1.8129 | |
| 174 | A | A | -1.7076 | |
| 175 | D | A | -3.0089 | |
| 176 | D | A | -2.8976 | |
| 177 | A | A | -2.2538 | |
| 178 | S | A | -2.0837 | |
| 179 | V | A | 0.0000 | |
| 180 | V | A | 0.6708 | |
| 181 | Y | A | 0.6358 | |
| 182 | C | A | 0.5332 | |
| 183 | D | A | -0.2064 | |
| 184 | P | A | 0.2017 | |
| 185 | P | A | 0.1552 | |
| 186 | Y | A | 1.2885 | |
| 187 | A | A | 0.7447 | |
| 188 | P | A | 0.8724 | |
| 189 | L | A | 1.6117 | |
| 190 | S | A | 0.5222 | |
| 191 | A | A | 0.3999 | |
| 192 | T | A | 0.3958 | |
| 193 | A | A | 0.6520 | |
| 194 | N | A | 0.6875 | |
| 195 | F | A | 1.7209 | |
| 196 | T | A | 0.6649 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 1.6636 | |
| 199 | L | A | 1.0956 | |
| 200 | W | A | 0.0000 | |
| 201 | H | A | -0.6786 | |
| 202 | E | A | -1.4232 | |
| 203 | M | A | -0.7337 | |
| 204 | W | A | 0.0000 | |
| 205 | H | A | -2.2410 | |
| 206 | E | A | -2.9071 | |
| 207 | G | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | E | A | -2.7524 | |
| 210 | E | A | -2.9467 | |
| 211 | A | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | R | A | -3.1565 | |
| 214 | L | A | -2.6624 | |
| 215 | Y | A | 0.0000 | |
| 216 | F | A | -0.9632 | |
| 217 | G | A | -2.3066 | |
| 218 | E | A | -3.1433 | |
| 219 | R | A | -3.1136 | |
| 220 | N | A | -2.3716 | |
| 221 | V | A | -1.4647 | |
| 222 | K | A | -2.2158 | |
| 223 | G | A | -2.1552 | |
| 224 | M | A | 0.0000 | |
| 225 | F | A | -1.5981 | |
| 226 | E | A | -2.5128 | |
| 227 | V | A | -1.8384 | |
| 228 | L | A | 0.0000 | |
| 229 | E | A | -2.3403 | |
| 230 | P | A | -1.5531 | |
| 231 | L | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | A | A | -1.6209 | |
| 234 | M | A | -1.4211 | |
| 235 | M | A | 0.0000 | |
| 236 | E | A | -2.7125 | |
| 237 | R | A | -2.9345 | |
| 238 | G | A | -2.0404 | |
| 239 | P | A | -1.5778 | |
| 240 | Q | A | -1.4467 | |
| 241 | T | A | 0.0000 | |
| 242 | L | A | 0.5328 | |
| 243 | K | A | -0.6360 | |
| 244 | E | A | 0.0000 | |
| 245 | T | A | -0.8252 | |
| 246 | S | A | -0.9305 | |
| 247 | F | A | 0.0000 | |
| 248 | N | A | -1.6324 | |
| 249 | Q | A | -2.1036 | |
| 250 | A | A | -1.3601 | |
| 251 | Y | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | R | A | -2.7924 | |
| 254 | D | A | -2.6506 | |
| 255 | L | A | 0.0000 | |
| 256 | M | A | -2.1277 | |
| 257 | E | A | -3.1653 | |
| 258 | A | A | 0.0000 | |
| 259 | Q | A | -2.7005 | |
| 260 | E | A | -3.3744 | |
| 261 | W | A | -2.4359 | |
| 262 | C | A | 0.0000 | |
| 263 | R | A | -3.3967 | |
| 264 | K | A | -3.0469 | |
| 265 | Y | A | -2.0027 | |
| 266 | M | A | -1.4585 | |
| 267 | K | A | -2.4987 | |
| 268 | S | A | -1.9628 | |
| 269 | G | A | -1.6045 | |
| 270 | N | A | -1.4984 | |
| 271 | V | A | -0.2687 | |
| 272 | K | A | -1.5672 | |
| 273 | D | A | -1.7094 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | -0.3777 | |
| 276 | Q | A | -1.5241 | |
| 277 | A | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | D | A | -1.8622 | |
| 280 | L | A | -1.5352 | |
| 281 | Y | A | 0.0000 | |
| 282 | Y | A | -1.2498 | |
| 283 | H | A | -2.0085 | |
| 284 | V | A | 0.0000 | |
| 285 | F | A | -1.8877 | |
| 286 | R | A | -2.6554 | |
| 287 | R | A | -2.6681 | |
| 288 | I | A | 0.0000 | |
| 289 | S | A | -2.3848 | |
| 290 | K | A | -3.1132 | |
| 291 | L | A | -2.0581 | |
| 292 | E | A | -2.8648 | |
| 293 | H | A | -3.1462 | |
| 294 | H | A | -3.1885 | |
| 295 | H | A | -3.1227 | |
| 296 | H | A | -2.9170 | |
| 297 | H | A | -2.8480 | |
| 298 | H | A | -2.3321 |
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