| Chain sequence(s) |
A: MINAIRTPDQRFSNLDQYPFSPNYLDDLPGYPGLRAHYLDEGNSDAEDVFLCLHGEPTWSYLYRKMIPVFAESGARVIAPDFFGFGKSDKPVDEEDYTFEFHRNFLLALIERLDLRNITLVVQDWGGFLGLTLPMADPSRFKRLIIMNACLMTDPVTQPAFSAFVTQPADGFTAWKYDLVTPSDLRLDQFMKRWAPTLTEAEASAYAAPFPDTSYQAGVRKFPKMVAQRDQACIDISTEAISFWQNDWNGQTFMAIGMKDKLLGPDVMYPMKALINGCPEPLEIADAGHFVQEFGEQVAREALKHFAETE
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 (00:05:41)
[INFO] Main: Simulation completed successfully. (00:05:43)
|
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 | 0.6872 | |
| 2 | I | A | -0.3801 | |
| 3 | N | A | -1.0139 | |
| 4 | A | A | -0.5296 | |
| 5 | I | A | -0.1413 | |
| 6 | R | A | -1.2760 | |
| 7 | T | A | 0.0000 | |
| 8 | P | A | -1.8686 | |
| 9 | D | A | -2.9407 | |
| 10 | Q | A | -2.7682 | |
| 11 | R | A | -2.3249 | |
| 12 | F | A | 0.0000 | |
| 13 | S | A | -1.8752 | |
| 14 | N | A | -1.9898 | |
| 15 | L | A | -1.4295 | |
| 16 | D | A | -1.9487 | |
| 17 | Q | A | -1.9832 | |
| 18 | Y | A | 0.0000 | |
| 19 | P | A | -0.6761 | |
| 20 | F | A | -0.4010 | |
| 21 | S | A | -0.4514 | |
| 22 | P | A | -0.4171 | |
| 23 | N | A | -0.3279 | |
| 24 | Y | A | -0.4233 | |
| 25 | L | A | 0.0000 | |
| 26 | D | A | -2.8441 | |
| 27 | D | A | -3.1317 | |
| 28 | L | A | 0.0000 | |
| 29 | P | A | -1.4560 | |
| 30 | G | A | -1.0321 | |
| 31 | Y | A | 0.0000 | |
| 32 | P | A | -1.2896 | |
| 33 | G | A | -1.4479 | |
| 34 | L | A | 0.0000 | |
| 35 | R | A | -1.5531 | |
| 36 | A | A | 0.0000 | |
| 37 | H | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | D | A | -1.0376 | |
| 41 | E | A | -1.4536 | |
| 42 | G | A | -2.1467 | |
| 43 | N | A | -2.9599 | |
| 44 | S | A | -2.3528 | |
| 45 | D | A | -2.9527 | |
| 46 | A | A | -2.6518 | |
| 47 | E | A | -3.1737 | |
| 48 | D | A | -2.6266 | |
| 49 | V | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | H | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | E | A | 0.0000 | |
| 57 | P | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | W | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | K | A | -1.3123 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | P | A | -1.1602 | |
| 69 | V | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | A | A | -1.7190 | |
| 72 | E | A | -2.3496 | |
| 73 | S | A | -1.6667 | |
| 74 | G | A | -1.9920 | |
| 75 | A | A | 0.0000 | |
| 76 | R | A | -2.1778 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | K | A | -0.7858 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | K | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | -0.8760 | |
| 93 | D | A | -2.6700 | |
| 94 | E | A | -2.4126 | |
| 95 | E | A | -2.7912 | |
| 96 | D | A | -1.9915 | |
| 97 | Y | A | 0.0000 | |
| 98 | T | A | -1.0862 | |
| 99 | F | A | 0.0000 | |
| 100 | E | A | -1.0815 | |
| 101 | F | A | -0.6553 | |
| 102 | H | A | 0.0000 | |
| 103 | R | A | -0.7281 | |
| 104 | N | A | -0.9493 | |
| 105 | F | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | L | A | -0.8831 | |
| 108 | A | A | -1.5190 | |
| 109 | L | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | E | A | -3.3383 | |
| 112 | R | A | -3.0014 | |
| 113 | L | A | -2.1055 | |
| 114 | D | A | -3.2993 | |
| 115 | L | A | 0.0000 | |
| 116 | R | A | -3.5002 | |
| 117 | N | A | -2.7270 | |
| 118 | I | A | 0.0000 | |
| 119 | T | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | Q | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | W | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | M | A | -0.5958 | |
| 136 | A | A | -0.1886 | |
| 137 | D | A | -0.8394 | |
| 138 | P | A | -1.2040 | |
| 139 | S | A | -1.2178 | |
| 140 | R | A | -2.0293 | |
| 141 | F | A | 0.0000 | |
| 142 | K | A | -2.5687 | |
| 143 | R | A | -1.4155 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | M | A | 0.0000 | |
| 148 | N | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | M | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | D | A | -0.7560 | |
| 155 | P | A | 0.1921 | |
| 156 | V | A | 1.3084 | |
| 157 | T | A | 0.3958 | |
| 158 | Q | A | -0.0337 | |
| 159 | P | A | -0.0884 | |
| 160 | A | A | -0.3444 | |
| 161 | F | A | 0.0000 | |
| 162 | S | A | -0.1610 | |
| 163 | A | A | -0.5341 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | -0.1059 | |
| 166 | T | A | -0.6973 | |
| 167 | Q | A | -1.6785 | |
| 168 | P | A | -1.6370 | |
| 169 | A | A | -1.3823 | |
| 170 | D | A | -2.1909 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | T | A | -0.4561 | |
| 174 | A | A | -0.6274 | |
| 175 | W | A | 0.0000 | |
| 176 | K | A | 0.0878 | |
| 177 | Y | A | 0.8767 | |
| 178 | D | A | -0.0204 | |
| 179 | L | A | 0.0000 | |
| 180 | V | A | 0.2660 | |
| 181 | T | A | 0.0006 | |
| 182 | P | A | -0.8802 | |
| 183 | S | A | -1.2752 | |
| 184 | D | A | -2.6310 | |
| 185 | L | A | -2.1746 | |
| 186 | R | A | -2.9131 | |
| 187 | L | A | 0.0000 | |
| 188 | D | A | -2.1728 | |
| 189 | Q | A | -2.7437 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | K | A | -2.8373 | |
| 193 | R | A | -2.6826 | |
| 194 | W | A | -1.3029 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -1.2271 | |
| 197 | T | A | -1.0083 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -1.2846 | |
| 200 | E | A | -2.2945 | |
| 201 | A | A | -1.5840 | |
| 202 | E | A | -1.4194 | |
| 203 | A | A | 0.0000 | |
| 204 | S | A | -1.4836 | |
| 205 | A | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | A | A | -0.9810 | |
| 208 | A | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -1.3443 | |
| 212 | D | A | -2.3414 | |
| 213 | T | A | -1.5718 | |
| 214 | S | A | -0.6519 | |
| 215 | Y | A | -0.6181 | |
| 216 | Q | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | R | A | -0.7676 | |
| 221 | K | A | -1.3542 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.3363 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | A | A | -1.0647 | |
| 228 | Q | A | -1.9222 | |
| 229 | R | A | -1.8987 | |
| 230 | D | A | -2.2986 | |
| 231 | Q | A | -2.3016 | |
| 232 | A | A | -1.5254 | |
| 233 | C | A | 0.0000 | |
| 234 | I | A | -1.6410 | |
| 235 | D | A | -2.5625 | |
| 236 | I | A | -1.4066 | |
| 237 | S | A | 0.0000 | |
| 238 | T | A | -1.4510 | |
| 239 | E | A | -2.1218 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | -1.0361 | |
| 242 | S | A | -1.6541 | |
| 243 | F | A | 0.0000 | |
| 244 | W | A | 0.0000 | |
| 245 | Q | A | -2.2934 | |
| 246 | N | A | -2.8738 | |
| 247 | D | A | -3.0540 | |
| 248 | W | A | 0.0000 | |
| 249 | N | A | -2.6189 | |
| 250 | G | A | -1.8698 | |
| 251 | Q | A | -1.4586 | |
| 252 | T | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | M | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | M | A | -1.7096 | |
| 259 | K | A | -2.6007 | |
| 260 | D | A | 0.0000 | |
| 261 | K | A | -2.8302 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | P | A | -1.3492 | |
| 266 | D | A | -1.8182 | |
| 267 | V | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | Y | A | -0.1138 | |
| 270 | P | A | -0.2398 | |
| 271 | M | A | 0.0000 | |
| 272 | K | A | -0.6069 | |
| 273 | A | A | -0.2748 | |
| 274 | L | A | -0.5572 | |
| 275 | I | A | 0.0000 | |
| 276 | N | A | -2.1769 | |
| 277 | G | A | -1.2960 | |
| 278 | C | A | 0.0000 | |
| 279 | P | A | -1.1721 | |
| 280 | E | A | -1.9550 | |
| 281 | P | A | -1.1135 | |
| 282 | L | A | -0.8382 | |
| 283 | E | A | -1.8701 | |
| 284 | I | A | -1.2136 | |
| 285 | A | A | -1.4170 | |
| 286 | D | A | -2.2061 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.3461 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | E | A | 0.0000 | |
| 294 | F | A | -0.4340 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -2.2077 | |
| 297 | Q | A | -2.3562 | |
| 298 | V | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | -3.1979 | |
| 301 | E | A | -2.6409 | |
| 302 | A | A | 0.0000 | |
| 303 | L | A | -1.7112 | |
| 304 | K | A | -2.8667 | |
| 305 | H | A | -2.2168 | |
| 306 | F | A | 0.0000 | |
| 307 | A | A | -2.0487 | |
| 308 | E | A | -2.7722 | |
| 309 | T | A | -2.0680 | |
| 310 | E | A | -2.3757 |
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