| Chain sequence(s) |
A: SIPAIRTPESNFDGLVGYPFEDNFIDDLKGFEGLRISYLDVGDPNAEYTVLMLHGEPTSSYEWRTMIPVFAEAGYRVIAPDFLGFGRSDRPVNEDDYTFQYHLDQLIQFIDKLNLKNIILVVQDWGGFLGLCLPMFNPERFKGLIILNACLLVDPETAPEFTAFRTEPPDGFPEWKRDIVEPADLDLAAFMQKWEPTLTPAEAANFQAPFPDASYMAAVRKFPKMVENPDEYTIETSKKAIDFWKNDWKGQVFLAVGEKDLLLGEHVMEPLRKIINGAPEPVRLEGAGHFVQNYGEEVARRALEWLKENS
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 (00:05:23)
[INFO] Main: Simulation completed successfully. (00:05:25)
|
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 | S | A | -0.2543 | |
| 2 | I | A | 0.2796 | |
| 3 | P | A | 0.1271 | |
| 4 | A | A | 0.0620 | |
| 5 | I | A | -0.0174 | |
| 6 | R | A | -1.2946 | |
| 7 | T | A | 0.0000 | |
| 8 | P | A | -1.4793 | |
| 9 | E | A | -2.5879 | |
| 10 | S | A | -1.9160 | |
| 11 | N | A | -1.7296 | |
| 12 | F | A | -1.5369 | |
| 13 | D | A | -2.2773 | |
| 14 | G | A | -1.1123 | |
| 15 | L | A | -0.2490 | |
| 16 | V | A | 0.3780 | |
| 17 | G | A | -0.0525 | |
| 18 | Y | A | -0.0970 | |
| 19 | P | A | -0.5920 | |
| 20 | F | A | -1.0886 | |
| 21 | E | A | -2.3519 | |
| 22 | D | A | -1.8994 | |
| 23 | N | A | -0.9505 | |
| 24 | F | A | -0.2778 | |
| 25 | I | A | 0.0000 | |
| 26 | D | A | -3.2519 | |
| 27 | D | A | -3.8749 | |
| 28 | L | A | 0.0000 | |
| 29 | K | A | -3.4755 | |
| 30 | G | A | -2.0565 | |
| 31 | F | A | 0.0000 | |
| 32 | E | A | -3.1707 | |
| 33 | G | A | -2.3490 | |
| 34 | L | A | 0.0000 | |
| 35 | R | A | -1.5849 | |
| 36 | I | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | D | A | -1.2720 | |
| 41 | V | A | -1.1472 | |
| 42 | G | A | -1.9223 | |
| 43 | D | A | -2.8807 | |
| 44 | P | A | -2.0675 | |
| 45 | N | A | -2.4338 | |
| 46 | A | A | -2.3337 | |
| 47 | E | A | -2.4999 | |
| 48 | Y | A | -1.3193 | |
| 49 | T | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | M | 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 | S | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | E | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | T | A | -0.6874 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | P | A | -0.8060 | |
| 69 | V | A | -1.2136 | |
| 70 | F | A | 0.0000 | |
| 71 | A | A | -1.4456 | |
| 72 | E | A | -2.1604 | |
| 73 | A | A | -1.2055 | |
| 74 | G | A | -1.7647 | |
| 75 | Y | A | -1.3511 | |
| 76 | R | A | -1.7078 | |
| 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 | L | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | R | A | 0.0000 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | R | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | -0.1506 | |
| 93 | N | A | -1.2930 | |
| 94 | E | A | -1.8122 | |
| 95 | D | A | -2.3764 | |
| 96 | D | A | -1.4716 | |
| 97 | Y | A | 0.0000 | |
| 98 | T | A | -0.9382 | |
| 99 | F | A | 0.0000 | |
| 100 | Q | A | -0.9006 | |
| 101 | Y | A | -0.5472 | |
| 102 | H | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | D | A | -0.8935 | |
| 105 | Q | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | I | A | -0.6255 | |
| 108 | Q | A | -1.9028 | |
| 109 | F | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -3.4100 | |
| 112 | K | A | -3.2393 | |
| 113 | L | A | -1.9472 | |
| 114 | N | A | -2.8233 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.8937 | |
| 117 | N | A | -1.7383 | |
| 118 | I | A | 0.0000 | |
| 119 | I | 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 | C | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | M | A | -0.6210 | |
| 136 | F | A | 0.4115 | |
| 137 | N | A | -1.0370 | |
| 138 | P | A | -1.5743 | |
| 139 | E | A | -2.4108 | |
| 140 | R | A | -2.3241 | |
| 141 | F | A | 0.0000 | |
| 142 | K | A | -1.5578 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | N | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | D | A | -1.7062 | |
| 155 | P | A | -1.5363 | |
| 156 | E | A | -2.2080 | |
| 157 | T | A | -1.3582 | |
| 158 | A | A | 0.0000 | |
| 159 | P | A | -1.4430 | |
| 160 | E | A | -1.7347 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | A | A | -1.0938 | |
| 164 | F | A | 0.0000 | |
| 165 | R | A | -1.2059 | |
| 166 | T | A | -1.5396 | |
| 167 | E | A | -2.2629 | |
| 168 | P | A | -1.7714 | |
| 169 | P | A | -1.7952 | |
| 170 | D | A | -2.3586 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -2.0343 | |
| 174 | E | A | -2.3937 | |
| 175 | W | A | 0.0000 | |
| 176 | K | A | -2.3130 | |
| 177 | R | A | -3.1350 | |
| 178 | D | A | -2.3785 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | -1.7889 | |
| 181 | E | A | -2.7070 | |
| 182 | P | A | -2.1097 | |
| 183 | A | A | -1.5741 | |
| 184 | D | A | -2.7154 | |
| 185 | L | A | -2.2065 | |
| 186 | D | A | -2.4271 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | -1.0415 | |
| 189 | A | A | -1.1994 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | -1.3666 | |
| 193 | K | A | -1.9392 | |
| 194 | W | A | -0.8936 | |
| 195 | E | A | 0.0000 | |
| 196 | P | A | -1.0343 | |
| 197 | T | A | -0.5586 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -0.2885 | |
| 200 | P | A | -0.4836 | |
| 201 | A | A | -0.0956 | |
| 202 | E | A | -0.3155 | |
| 203 | A | A | 0.0000 | |
| 204 | A | A | -0.4176 | |
| 205 | N | A | -0.4199 | |
| 206 | F | A | 0.0000 | |
| 207 | Q | A | -0.9005 | |
| 208 | A | A | -0.8676 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.9869 | |
| 212 | D | A | -2.1272 | |
| 213 | A | A | -1.5238 | |
| 214 | S | A | -0.6920 | |
| 215 | Y | A | -0.3984 | |
| 216 | M | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | R | A | -1.1038 | |
| 221 | K | A | -1.1938 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.6237 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -1.9989 | |
| 228 | N | A | -2.3955 | |
| 229 | P | A | -1.7479 | |
| 230 | D | A | -2.4046 | |
| 231 | E | A | -2.5278 | |
| 232 | Y | A | -1.2771 | |
| 233 | T | A | 0.0000 | |
| 234 | I | A | -1.8279 | |
| 235 | E | A | -2.7829 | |
| 236 | T | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | K | A | -2.4693 | |
| 239 | K | A | -3.0160 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | -2.1358 | |
| 242 | D | A | -3.5541 | |
| 243 | F | A | 0.0000 | |
| 244 | W | A | 0.0000 | |
| 245 | K | A | -3.6493 | |
| 246 | N | A | -3.6587 | |
| 247 | D | A | -3.6329 | |
| 248 | W | A | 0.0000 | |
| 249 | K | A | -2.9503 | |
| 250 | G | A | -1.7695 | |
| 251 | Q | A | -1.0626 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | E | A | -3.0431 | |
| 259 | K | A | -2.6930 | |
| 260 | D | A | 0.0000 | |
| 261 | L | A | -0.5233 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | E | A | -1.5032 | |
| 266 | H | A | -1.2372 | |
| 267 | V | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | E | A | -1.6129 | |
| 270 | P | A | -1.3455 | |
| 271 | L | A | 0.0000 | |
| 272 | R | A | -1.7549 | |
| 273 | K | A | -2.4288 | |
| 274 | I | A | -1.7426 | |
| 275 | I | A | 0.0000 | |
| 276 | N | A | -2.7153 | |
| 277 | G | A | -1.8268 | |
| 278 | A | A | -1.4984 | |
| 279 | P | A | -1.4239 | |
| 280 | E | A | -2.2757 | |
| 281 | P | A | -1.2145 | |
| 282 | V | A | -1.1011 | |
| 283 | R | A | -1.8783 | |
| 284 | L | A | -1.8267 | |
| 285 | E | A | -3.0210 | |
| 286 | G | A | -2.0286 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.3122 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | N | A | -0.5627 | |
| 294 | Y | A | -0.1521 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -2.5070 | |
| 297 | E | A | -2.1778 | |
| 298 | V | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | -2.8287 | |
| 301 | R | A | -2.9047 | |
| 302 | A | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | E | A | -3.3626 | |
| 305 | W | A | -2.4720 | |
| 306 | L | A | 0.0000 | |
| 307 | K | A | -3.4681 | |
| 308 | E | A | -3.3639 | |
| 309 | N | A | -2.3801 | |
| 310 | S | A | -1.6334 |
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