| Chain sequence(s) |
A: LALLFLVLSAGSGFTQGVRNHVTCRINRGFCVPIRCPGRTRQIGTCFGPRIKCCRSWEAAAKTEDVGSEAPAAYLLTAGFSKHAAYYTFNTNSKYAAYRMLWRNQKHAAYRLLARLRWGPGPGPTDIVRARLTRLSRRKKIKKGAFPPKEEKFTKKAQFCDSGGDLRRDSKKQAACAADPRCKTFTKKFGGNMHQREEADAAKKATIGDPLPTGSAKQKKGDIESPQPANDLTEKKTKKCSHYTFNTNSKKKQEQQRRRVPLRTRLKKPTSGTTQGDDGVDEKKRSYDPRKHKRYAFDKKQNQTDAEPGTQSSTEAAAK
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 (00:14:41)
[INFO] Main: Simulation completed successfully. (00:14:43)
|
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 | L | A | 2.3000 | |
| 2 | A | A | 1.9157 | |
| 3 | L | A | 2.8353 | |
| 4 | L | A | 2.5469 | |
| 5 | F | A | 1.8973 | |
| 6 | L | A | 1.8927 | |
| 7 | V | A | 2.2921 | |
| 8 | L | A | 0.0000 | |
| 9 | S | A | 0.0000 | |
| 10 | A | A | 0.4439 | |
| 11 | G | A | -0.4863 | |
| 12 | S | A | -0.6955 | |
| 13 | G | A | -0.8122 | |
| 14 | F | A | -0.2827 | |
| 15 | T | A | 0.0000 | |
| 16 | Q | A | -1.4396 | |
| 17 | G | A | -0.4036 | |
| 18 | V | A | 0.0000 | |
| 19 | R | A | -1.4005 | |
| 20 | N | A | -0.7971 | |
| 21 | H | A | -0.3783 | |
| 22 | V | A | 0.0000 | |
| 23 | T | A | -0.6290 | |
| 24 | C | A | 0.0000 | |
| 25 | R | A | -0.4235 | |
| 26 | I | A | 0.0000 | |
| 27 | N | A | -1.1487 | |
| 28 | R | A | -1.0967 | |
| 29 | G | A | -0.1545 | |
| 30 | F | A | 1.5963 | |
| 31 | C | A | 1.1593 | |
| 32 | V | A | 0.0000 | |
| 33 | P | A | -0.0171 | |
| 34 | I | A | 0.1935 | |
| 35 | R | A | -1.9325 | |
| 36 | C | A | 0.0000 | |
| 37 | P | A | -1.4795 | |
| 38 | G | A | -2.3015 | |
| 39 | R | A | -2.7710 | |
| 40 | T | A | -1.9810 | |
| 41 | R | A | -3.4823 | |
| 42 | Q | A | -2.3010 | |
| 43 | I | A | -0.6836 | |
| 44 | G | A | -0.3553 | |
| 45 | T | A | -0.2843 | |
| 46 | C | A | 0.0000 | |
| 47 | F | A | 0.8684 | |
| 48 | G | A | -0.0124 | |
| 49 | P | A | -0.6001 | |
| 50 | R | A | -1.6195 | |
| 51 | I | A | -0.1411 | |
| 52 | K | A | -0.7272 | |
| 53 | C | A | 0.0000 | |
| 54 | C | A | 0.0000 | |
| 55 | R | A | -1.2779 | |
| 56 | S | A | -1.0968 | |
| 57 | W | A | -0.3304 | |
| 58 | E | A | -1.9050 | |
| 59 | A | A | 0.0000 | |
| 60 | A | A | -1.3811 | |
| 61 | A | A | -1.9802 | |
| 62 | K | A | -2.9739 | |
| 63 | T | A | -2.4968 | |
| 64 | E | A | -3.1801 | |
| 65 | D | A | -3.4974 | |
| 66 | V | A | -2.1158 | |
| 67 | G | A | -2.0855 | |
| 68 | S | A | 0.0000 | |
| 69 | E | A | -1.7538 | |
| 70 | A | A | -1.2826 | |
| 71 | P | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | A | A | -0.0005 | |
| 74 | Y | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.7284 | |
| 77 | T | A | 0.3099 | |
| 78 | A | A | 0.3403 | |
| 79 | G | A | 0.3034 | |
| 80 | F | A | 0.8184 | |
| 81 | S | A | 0.0000 | |
| 82 | K | A | -0.8853 | |
| 83 | H | A | -0.4850 | |
| 84 | A | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | Y | A | 0.6888 | |
| 87 | Y | A | 0.1793 | |
| 88 | T | A | 0.0000 | |
| 89 | F | A | 0.2542 | |
| 90 | N | A | -0.6702 | |
| 91 | T | A | -0.7060 | |
| 92 | N | A | -1.2995 | |
| 93 | S | A | -1.2376 | |
| 94 | K | A | -1.2002 | |
| 95 | Y | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | R | A | -0.1042 | |
| 100 | M | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | W | A | -0.2949 | |
| 103 | R | A | -0.3207 | |
| 104 | N | A | -0.4616 | |
| 105 | Q | A | -0.4042 | |
| 106 | K | A | -0.6030 | |
| 107 | H | A | -0.6631 | |
| 108 | A | A | -0.1062 | |
| 109 | A | A | -0.2840 | |
| 110 | Y | A | -0.6818 | |
| 111 | R | A | -1.2968 | |
| 112 | L | A | 0.3146 | |
| 113 | L | A | 0.2949 | |
| 114 | A | A | 0.0000 | |
| 115 | R | A | -1.0961 | |
| 116 | L | A | 0.4703 | |
| 117 | R | A | -0.8513 | |
| 118 | W | A | -0.3097 | |
| 119 | G | A | -0.7113 | |
| 120 | P | A | -0.7433 | |
| 121 | G | A | -1.2297 | |
| 122 | P | A | -0.7810 | |
| 123 | G | A | -1.0961 | |
| 124 | P | A | -1.6390 | |
| 125 | T | A | -1.8245 | |
| 126 | D | A | -2.7328 | |
| 127 | I | A | -2.1894 | |
| 128 | V | A | 0.0000 | |
| 129 | R | A | -3.4225 | |
| 130 | A | A | -2.7878 | |
| 131 | R | A | -2.7786 | |
| 132 | L | A | -2.0397 | |
| 133 | T | A | -1.6799 | |
| 134 | R | A | -2.4064 | |
| 135 | L | A | -1.2420 | |
| 136 | S | A | -0.5931 | |
| 137 | R | A | -1.6340 | |
| 138 | R | A | -1.9909 | |
| 139 | K | A | -1.9153 | |
| 140 | K | A | -1.6089 | |
| 141 | I | A | -1.2329 | |
| 142 | K | A | -2.7492 | |
| 143 | K | A | -2.8190 | |
| 144 | G | A | -1.5134 | |
| 145 | A | A | -0.6217 | |
| 146 | F | A | 0.3917 | |
| 147 | P | A | -0.8509 | |
| 148 | P | A | -1.2111 | |
| 149 | K | A | -1.6864 | |
| 150 | E | A | -2.9490 | |
| 151 | E | A | -3.1868 | |
| 152 | K | A | -2.2496 | |
| 153 | F | A | -0.6211 | |
| 154 | T | A | -1.4857 | |
| 155 | K | A | -2.3833 | |
| 156 | K | A | -2.1219 | |
| 157 | A | A | -1.4117 | |
| 158 | Q | A | -1.6541 | |
| 159 | F | A | 0.0000 | |
| 160 | C | A | -1.6623 | |
| 161 | D | A | -2.4784 | |
| 162 | S | A | 0.0000 | |
| 163 | G | A | -1.4338 | |
| 164 | G | A | -1.3593 | |
| 165 | D | A | -1.3168 | |
| 166 | L | A | -0.7139 | |
| 167 | R | A | -2.6920 | |
| 168 | R | A | -3.1980 | |
| 169 | D | A | -2.5310 | |
| 170 | S | A | -2.1333 | |
| 171 | K | A | -2.8074 | |
| 172 | K | A | -2.2086 | |
| 173 | Q | A | -2.1447 | |
| 174 | A | A | -1.1983 | |
| 175 | A | A | -0.9230 | |
| 176 | C | A | 0.0000 | |
| 177 | A | A | -1.1985 | |
| 178 | A | A | -0.6862 | |
| 179 | D | A | -1.4171 | |
| 180 | P | A | -1.8456 | |
| 181 | R | A | -2.5171 | |
| 182 | C | A | 0.0000 | |
| 183 | K | A | -2.4340 | |
| 184 | T | A | -2.0686 | |
| 185 | F | A | -1.5310 | |
| 186 | T | A | -2.0522 | |
| 187 | K | A | -2.7621 | |
| 188 | K | A | -2.4207 | |
| 189 | F | A | -1.2781 | |
| 190 | G | A | -1.6249 | |
| 191 | G | A | -1.8976 | |
| 192 | N | A | -2.5910 | |
| 193 | M | A | 0.0000 | |
| 194 | H | A | -2.5174 | |
| 195 | Q | A | -2.9847 | |
| 196 | R | A | -2.7151 | |
| 197 | E | A | -3.0870 | |
| 198 | E | A | -3.5034 | |
| 199 | A | A | -2.8313 | |
| 200 | D | A | -3.5340 | |
| 201 | A | A | -2.5421 | |
| 202 | A | A | -2.0789 | |
| 203 | K | A | -2.9631 | |
| 204 | K | A | -2.6425 | |
| 205 | A | A | -1.1246 | |
| 206 | T | A | -1.1832 | |
| 207 | I | A | -1.3306 | |
| 208 | G | A | -1.4213 | |
| 209 | D | A | -1.1658 | |
| 210 | P | A | -1.2004 | |
| 211 | L | A | -0.2483 | |
| 212 | P | A | -0.6800 | |
| 213 | T | A | -0.5838 | |
| 214 | G | A | -1.0663 | |
| 215 | S | A | -1.0710 | |
| 216 | A | A | -0.9150 | |
| 217 | K | A | -2.0607 | |
| 218 | Q | A | -1.8221 | |
| 219 | K | A | -2.7763 | |
| 220 | K | A | -2.9456 | |
| 221 | G | A | -2.4931 | |
| 222 | D | A | -1.5399 | |
| 223 | I | A | -0.8901 | |
| 224 | E | A | -1.8175 | |
| 225 | S | A | -1.0944 | |
| 226 | P | A | -0.9127 | |
| 227 | Q | A | -1.1212 | |
| 228 | P | A | -0.7147 | |
| 229 | A | A | -0.8027 | |
| 230 | N | A | -1.7399 | |
| 231 | D | A | -1.5930 | |
| 232 | L | A | -0.7388 | |
| 233 | T | A | -1.5189 | |
| 234 | E | A | -2.1465 | |
| 235 | K | A | -1.9237 | |
| 236 | K | A | -2.5454 | |
| 237 | T | A | -2.1614 | |
| 238 | K | A | -2.5980 | |
| 239 | K | A | -2.3167 | |
| 240 | C | A | -0.7566 | |
| 241 | S | A | -0.6465 | |
| 242 | H | A | -0.5517 | |
| 243 | Y | A | 0.7072 | |
| 244 | T | A | 0.4746 | |
| 245 | F | A | 0.5099 | |
| 246 | N | A | -0.8796 | |
| 247 | T | A | -1.2752 | |
| 248 | N | A | 0.0000 | |
| 249 | S | A | -1.7541 | |
| 250 | K | A | -2.8321 | |
| 251 | K | A | -2.6939 | |
| 252 | K | A | -3.6424 | |
| 253 | Q | A | -3.1840 | |
| 254 | E | A | -2.8552 | |
| 255 | Q | A | -2.7863 | |
| 256 | Q | A | -2.5166 | |
| 257 | R | A | -2.5437 | |
| 258 | R | A | -2.6230 | |
| 259 | R | A | -0.8547 | |
| 260 | V | A | 0.8725 | |
| 261 | P | A | 0.5231 | |
| 262 | L | A | 0.5835 | |
| 263 | R | A | -1.1773 | |
| 264 | T | A | -0.8839 | |
| 265 | R | A | -1.8587 | |
| 266 | L | A | -0.9299 | |
| 267 | K | A | -2.2686 | |
| 268 | K | A | -2.5335 | |
| 269 | P | A | -1.4989 | |
| 270 | T | A | -1.4077 | |
| 271 | S | A | -1.2060 | |
| 272 | G | A | -1.9218 | |
| 273 | T | A | -1.7856 | |
| 274 | T | A | -1.4761 | |
| 275 | Q | A | -2.4289 | |
| 276 | G | A | -2.6004 | |
| 277 | D | A | -3.2271 | |
| 278 | D | A | -3.1310 | |
| 279 | G | A | -2.3673 | |
| 280 | V | A | -1.6146 | |
| 281 | D | A | 0.0000 | |
| 282 | E | A | -2.5120 | |
| 283 | K | A | -3.0462 | |
| 284 | K | A | -2.9842 | |
| 285 | R | A | -2.0493 | |
| 286 | S | A | -1.2618 | |
| 287 | Y | A | -0.7885 | |
| 288 | D | A | -2.4256 | |
| 289 | P | A | -2.5287 | |
| 290 | R | A | -3.6372 | |
| 291 | K | A | -3.3903 | |
| 292 | H | A | -3.1936 | |
| 293 | K | A | -3.7868 | |
| 294 | R | A | -3.6047 | |
| 295 | Y | A | -2.1517 | |
| 296 | A | A | -2.1590 | |
| 297 | F | A | -1.4128 | |
| 298 | D | A | -3.3384 | |
| 299 | K | A | -3.8141 | |
| 300 | K | A | -3.6630 | |
| 301 | Q | A | -3.4483 | |
| 302 | N | A | -3.2929 | |
| 303 | Q | A | -3.5016 | |
| 304 | T | A | -2.9067 | |
| 305 | D | A | -2.5082 | |
| 306 | A | A | -2.2740 | |
| 307 | E | A | -2.6959 | |
| 308 | P | A | -1.9946 | |
| 309 | G | A | -1.5322 | |
| 310 | T | A | -1.7920 | |
| 311 | Q | A | -2.1016 | |
| 312 | S | A | -1.6523 | |
| 313 | S | A | -1.6997 | |
| 314 | T | A | -1.7481 | |
| 315 | E | A | -2.6637 | |
| 316 | A | A | -2.1416 | |
| 317 | A | A | -1.1325 | |
| 318 | A | A | -1.2364 | |
| 319 | K | A | -2.3740 |
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