| Chain sequence(s) |
A: TIPAIRTPESNFDGLVGDPFEDNYIDDLPGFEGLRIHYWRVGPEDAEKTVLMLHGEPTSAYSWRTMIPVFADAGYTVYAPDFLGFGRSDRPVREEDYTYTFHLNQLLAFIDKLDLKNIILFVQDWGGFIGLNLPMYDPSRFVGLIITNACLLVPEEIAPEFTAFRTEPADGFPLWKERIVTPENLDLAAFMKEEAPTLTDAEAANYQAPFPDPSYMAAVRKFPKMVENPDKETLEISTKAIDFWKNDWKGKVFMAVGEQDKLLGRHVMDPLRKIINGAPEPLYLEGAGHFVQEHGEEVAREALRWWEEHS
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 (00:05:46)
[INFO] Main: Simulation completed successfully. (00:05:48)
|
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 | T | A | -0.2477 | |
| 2 | I | A | 0.3573 | |
| 3 | P | A | 0.2017 | |
| 4 | A | A | 0.1048 | |
| 5 | I | A | 0.1001 | |
| 6 | R | A | -1.1353 | |
| 7 | T | A | 0.0000 | |
| 8 | P | A | -1.6551 | |
| 9 | E | A | -2.6246 | |
| 10 | S | A | -1.9479 | |
| 11 | N | A | -1.7362 | |
| 12 | F | A | -1.5523 | |
| 13 | D | A | -2.3358 | |
| 14 | G | A | -1.1420 | |
| 15 | L | A | -0.3348 | |
| 16 | V | A | 0.3113 | |
| 17 | G | A | -0.2163 | |
| 18 | D | A | -0.8310 | |
| 19 | P | A | -0.8232 | |
| 20 | F | A | -1.3562 | |
| 21 | E | A | -2.5638 | |
| 22 | D | A | -2.2348 | |
| 23 | N | A | -1.0769 | |
| 24 | Y | A | -0.4823 | |
| 25 | I | A | 0.0000 | |
| 26 | D | A | -3.1836 | |
| 27 | D | A | -3.6742 | |
| 28 | L | A | 0.0000 | |
| 29 | P | A | -2.1800 | |
| 30 | G | A | -1.5712 | |
| 31 | F | A | 0.0000 | |
| 32 | E | A | -3.3156 | |
| 33 | G | A | -2.3309 | |
| 34 | L | A | 0.0000 | |
| 35 | R | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | H | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | R | A | -1.4260 | |
| 41 | V | A | -1.1997 | |
| 42 | G | A | -1.5073 | |
| 43 | P | A | -2.1395 | |
| 44 | E | A | -3.1360 | |
| 45 | D | A | -3.3138 | |
| 46 | A | A | -2.8821 | |
| 47 | E | A | -3.2082 | |
| 48 | K | A | -2.2845 | |
| 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 | A | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | T | A | -0.8599 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | P | A | -1.0228 | |
| 69 | V | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | A | A | -1.1275 | |
| 72 | D | A | -1.9380 | |
| 73 | A | A | -1.3010 | |
| 74 | G | A | -1.6503 | |
| 75 | Y | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | Y | A | -0.1146 | |
| 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 | -0.8179 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | R | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | -0.2128 | |
| 93 | R | A | -1.5763 | |
| 94 | E | A | -1.9567 | |
| 95 | E | A | -2.4362 | |
| 96 | D | A | -1.3754 | |
| 97 | Y | A | 0.0000 | |
| 98 | T | A | -0.8229 | |
| 99 | Y | A | 0.0000 | |
| 100 | T | A | -0.6548 | |
| 101 | F | A | -0.2867 | |
| 102 | H | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -1.1210 | |
| 105 | Q | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | L | A | -0.7698 | |
| 108 | A | A | -1.4282 | |
| 109 | F | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -3.0444 | |
| 112 | K | A | -2.5764 | |
| 113 | L | A | -1.6522 | |
| 114 | D | A | -2.6828 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.9747 | |
| 117 | N | A | -2.0624 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | F | 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 | I | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | N | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | M | A | -0.4364 | |
| 136 | Y | A | 0.5372 | |
| 137 | D | A | -0.5835 | |
| 138 | P | A | -1.0467 | |
| 139 | S | A | -0.8336 | |
| 140 | R | A | -1.6248 | |
| 141 | F | A | 0.0000 | |
| 142 | V | A | -0.8209 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | T | 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 | P | A | -1.5890 | |
| 155 | E | A | -2.5973 | |
| 156 | E | A | -2.3976 | |
| 157 | I | A | -0.6606 | |
| 158 | A | A | 0.0000 | |
| 159 | P | A | -1.5584 | |
| 160 | E | A | -1.3409 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | -1.3582 | |
| 163 | A | A | -1.2632 | |
| 164 | F | A | 0.0000 | |
| 165 | R | A | -1.2405 | |
| 166 | T | A | -1.3201 | |
| 167 | E | A | -2.4081 | |
| 168 | P | A | -2.0255 | |
| 169 | A | A | -1.5193 | |
| 170 | D | A | -2.3738 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -1.3283 | |
| 174 | L | A | -0.9870 | |
| 175 | W | A | 0.0000 | |
| 176 | K | A | -1.7550 | |
| 177 | E | A | -2.2970 | |
| 178 | R | A | -1.8331 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | -1.3611 | |
| 181 | T | A | -1.5169 | |
| 182 | P | A | -2.1077 | |
| 183 | E | A | -2.7277 | |
| 184 | N | A | -2.7848 | |
| 185 | L | A | -2.1986 | |
| 186 | D | A | -2.5106 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | -1.4583 | |
| 189 | A | A | -1.6783 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | K | A | -2.4867 | |
| 193 | E | A | -2.6411 | |
| 194 | E | A | -1.9632 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -1.3682 | |
| 197 | T | A | -1.0049 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -1.1687 | |
| 200 | D | A | -2.0770 | |
| 201 | A | A | -0.8636 | |
| 202 | E | A | -0.9103 | |
| 203 | A | A | 0.0000 | |
| 204 | A | A | -0.8304 | |
| 205 | N | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | Q | A | -0.8209 | |
| 208 | A | A | -0.8017 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.8429 | |
| 212 | D | A | -1.8532 | |
| 213 | P | A | -1.5125 | |
| 214 | S | A | -0.5735 | |
| 215 | Y | A | -0.3171 | |
| 216 | M | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | R | A | -0.9023 | |
| 221 | K | A | -1.2730 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.6209 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -2.0240 | |
| 228 | N | A | -2.3774 | |
| 229 | P | A | -2.0482 | |
| 230 | D | A | -2.8426 | |
| 231 | K | A | -3.3990 | |
| 232 | E | A | -3.1872 | |
| 233 | T | A | 0.0000 | |
| 234 | L | A | -2.0625 | |
| 235 | E | A | -2.8239 | |
| 236 | I | A | -1.6991 | |
| 237 | S | A | 0.0000 | |
| 238 | T | A | -1.5874 | |
| 239 | K | A | -2.4931 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | D | A | -3.5109 | |
| 243 | F | A | 0.0000 | |
| 244 | W | A | 0.0000 | |
| 245 | K | A | -3.7595 | |
| 246 | N | A | -3.6795 | |
| 247 | D | A | -3.6594 | |
| 248 | W | A | 0.0000 | |
| 249 | K | A | -2.9365 | |
| 250 | G | A | -1.6369 | |
| 251 | K | A | -1.4677 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | M | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | E | A | -2.7206 | |
| 259 | Q | A | -2.8012 | |
| 260 | D | A | 0.0000 | |
| 261 | K | A | -3.0393 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | R | A | -2.1427 | |
| 266 | H | A | -1.9839 | |
| 267 | V | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | D | A | -1.7930 | |
| 270 | P | A | -1.4183 | |
| 271 | L | A | 0.0000 | |
| 272 | R | A | -2.3149 | |
| 273 | K | A | -2.5855 | |
| 274 | I | A | -1.9577 | |
| 275 | I | A | 0.0000 | |
| 276 | N | A | -3.0362 | |
| 277 | G | A | -2.0148 | |
| 278 | A | A | 0.0000 | |
| 279 | P | A | -1.5599 | |
| 280 | E | A | -2.1295 | |
| 281 | P | A | -0.9347 | |
| 282 | L | A | -0.4129 | |
| 283 | Y | A | -0.5523 | |
| 284 | L | A | -1.0837 | |
| 285 | E | A | -2.4238 | |
| 286 | G | A | -1.7690 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.6771 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | E | A | -0.7592 | |
| 294 | H | A | -1.1218 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -2.9073 | |
| 297 | E | A | -3.4570 | |
| 298 | V | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | -3.8512 | |
| 301 | E | A | -3.4069 | |
| 302 | A | A | 0.0000 | |
| 303 | L | A | -2.5178 | |
| 304 | R | A | -3.5253 | |
| 305 | W | A | -2.4439 | |
| 306 | W | A | 0.0000 | |
| 307 | E | A | -2.8088 | |
| 308 | E | A | -3.0618 | |
| 309 | H | A | -2.2244 | |
| 310 | S | A | -1.4748 |
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