| Chain sequence(s) |
A: TIKHIRTPESNFDDLVGVPFEDNFIDDLPGFEGLRIHYWRVGPPDAERTFLCLHGEPTSAYEWRTMIPVFAAAGYTVYAPDFLGFGRSDRPVDEKDYTYEFHLNQLLAFIDKLNLKNIILVVQDWGGFIGLNLPMFDPSRFVGLVITNACLLVRPEEAPEFTAFRTEPPDGFPRWKELIVEPENLNLAEFMKEMEPTLTPEEAANYQAPFPDASYMAAVRKFPKMVENPDEYQIKTSSEAINFWKNDWKGKVFMAVGEKDLLLGRHVMEPLRKIINGAPEPVYIEGAGHFVQRYGEEIARRALAWLEAHE
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 (00:06:02)
[INFO] Main: Simulation completed successfully. (00:06:05)
|
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 | -0.7140 | |
| 2 | I | A | -0.5482 | |
| 3 | K | A | -1.5080 | |
| 4 | H | A | -1.0193 | |
| 5 | I | A | -0.4540 | |
| 6 | R | A | -1.2365 | |
| 7 | T | A | 0.0000 | |
| 8 | P | A | -1.1056 | |
| 9 | E | A | -1.7334 | |
| 10 | S | A | -1.7786 | |
| 11 | N | A | -1.8900 | |
| 12 | F | A | 0.0000 | |
| 13 | D | A | -2.7618 | |
| 14 | D | A | -2.5700 | |
| 15 | L | A | -0.9370 | |
| 16 | V | A | 0.2439 | |
| 17 | G | A | 0.1593 | |
| 18 | V | A | -0.1919 | |
| 19 | P | A | -0.3483 | |
| 20 | F | A | -1.0491 | |
| 21 | E | A | -2.1709 | |
| 22 | D | A | -1.5386 | |
| 23 | N | A | -0.7235 | |
| 24 | F | A | -0.1855 | |
| 25 | I | A | 0.0000 | |
| 26 | D | A | -3.1483 | |
| 27 | D | A | -3.6898 | |
| 28 | L | A | 0.0000 | |
| 29 | P | A | -2.1295 | |
| 30 | G | A | -1.4478 | |
| 31 | F | A | 0.0000 | |
| 32 | E | A | -3.2587 | |
| 33 | G | A | -2.2665 | |
| 34 | L | A | 0.0000 | |
| 35 | R | A | -1.6657 | |
| 36 | I | A | 0.0000 | |
| 37 | H | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | R | A | -1.0357 | |
| 41 | V | A | -0.6091 | |
| 42 | G | A | -0.6300 | |
| 43 | P | A | -1.1824 | |
| 44 | P | A | -1.5385 | |
| 45 | D | A | -2.5094 | |
| 46 | A | A | -2.2893 | |
| 47 | E | A | -2.8567 | |
| 48 | R | A | -1.9504 | |
| 49 | T | 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 | S | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | E | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | R | A | -0.3230 | |
| 65 | T | A | -0.8364 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | P | A | -0.3933 | |
| 69 | V | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | A | A | -0.2414 | |
| 72 | A | A | -0.0961 | |
| 73 | A | A | -0.3702 | |
| 74 | G | A | -0.8682 | |
| 75 | Y | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | Y | 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 | -0.7143 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | R | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | -0.8335 | |
| 93 | D | A | -1.8318 | |
| 94 | E | A | -1.9669 | |
| 95 | K | A | -2.4360 | |
| 96 | D | A | -1.7974 | |
| 97 | Y | A | 0.0000 | |
| 98 | T | A | -1.0128 | |
| 99 | Y | A | 0.0000 | |
| 100 | E | A | -1.0925 | |
| 101 | F | A | -0.6165 | |
| 102 | H | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -0.6886 | |
| 105 | Q | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | L | A | -0.4764 | |
| 108 | A | A | -1.2759 | |
| 109 | F | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -3.1596 | |
| 112 | K | A | -2.8324 | |
| 113 | L | A | -1.8041 | |
| 114 | N | A | -2.7501 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.7255 | |
| 117 | N | A | -1.5375 | |
| 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 | 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 | -0.3718 | |
| 136 | F | A | 0.6840 | |
| 137 | D | A | -0.5482 | |
| 138 | P | A | -0.7940 | |
| 139 | S | A | -0.7091 | |
| 140 | R | A | -1.4018 | |
| 141 | F | A | 0.0000 | |
| 142 | V | A | -0.4210 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | 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 | R | A | -3.1826 | |
| 155 | P | A | -2.6393 | |
| 156 | E | A | -3.3329 | |
| 157 | E | A | -3.1565 | |
| 158 | A | A | 0.0000 | |
| 159 | P | A | -1.9173 | |
| 160 | E | A | -1.7825 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | -1.5055 | |
| 163 | A | A | -1.0139 | |
| 164 | F | A | 0.0000 | |
| 165 | R | A | -1.2427 | |
| 166 | T | A | -1.5663 | |
| 167 | E | A | -2.2678 | |
| 168 | P | A | -1.7582 | |
| 169 | P | A | -1.8807 | |
| 170 | D | A | -2.4515 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -1.9416 | |
| 174 | R | A | -2.1476 | |
| 175 | W | A | 0.0000 | |
| 176 | K | A | -1.9923 | |
| 177 | E | A | -2.3822 | |
| 178 | L | A | -1.6644 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | -1.7616 | |
| 181 | E | A | -2.7928 | |
| 182 | P | A | -2.5148 | |
| 183 | E | A | -2.9636 | |
| 184 | N | A | -2.9346 | |
| 185 | L | A | -2.3080 | |
| 186 | N | A | -2.3669 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | -2.0099 | |
| 189 | E | A | -2.7653 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | K | A | -2.1245 | |
| 193 | E | A | -2.1815 | |
| 194 | M | A | -0.9783 | |
| 195 | E | A | 0.0000 | |
| 196 | P | A | -1.1359 | |
| 197 | T | A | -0.6297 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -1.0143 | |
| 200 | P | A | -1.6412 | |
| 201 | E | A | -2.0715 | |
| 202 | E | A | -1.1517 | |
| 203 | A | A | 0.0000 | |
| 204 | A | A | -1.4014 | |
| 205 | N | A | -0.8471 | |
| 206 | Y | A | 0.0000 | |
| 207 | Q | A | -1.0306 | |
| 208 | A | A | -1.1045 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -1.0568 | |
| 212 | D | A | -2.0312 | |
| 213 | A | A | -1.6175 | |
| 214 | S | A | -0.6945 | |
| 215 | Y | A | -0.5178 | |
| 216 | M | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | R | A | -0.8655 | |
| 221 | K | A | -1.2298 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.5625 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -1.9407 | |
| 228 | N | A | -2.3079 | |
| 229 | P | A | -2.1148 | |
| 230 | D | A | -2.3674 | |
| 231 | E | A | -2.5500 | |
| 232 | Y | A | -1.3794 | |
| 233 | Q | A | 0.0000 | |
| 234 | I | A | -2.1078 | |
| 235 | K | A | -2.7560 | |
| 236 | T | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | S | A | -2.2934 | |
| 239 | E | A | -2.6503 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | N | A | -3.0897 | |
| 243 | F | A | 0.0000 | |
| 244 | W | A | 0.0000 | |
| 245 | K | A | -3.6557 | |
| 246 | N | A | -3.5806 | |
| 247 | D | A | -3.6003 | |
| 248 | W | A | 0.0000 | |
| 249 | K | A | -2.9184 | |
| 250 | G | A | -1.7341 | |
| 251 | K | A | -1.7658 | |
| 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 | -2.9120 | |
| 259 | K | A | -2.5904 | |
| 260 | D | A | 0.0000 | |
| 261 | L | A | -0.3033 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | R | A | -2.7639 | |
| 266 | H | A | -2.1113 | |
| 267 | V | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | E | A | -2.0612 | |
| 270 | P | A | -1.5255 | |
| 271 | L | A | 0.0000 | |
| 272 | R | A | -2.1025 | |
| 273 | K | A | -2.5747 | |
| 274 | I | A | -1.8923 | |
| 275 | I | A | 0.0000 | |
| 276 | N | A | -3.2174 | |
| 277 | G | A | -2.1010 | |
| 278 | A | A | -1.6903 | |
| 279 | P | A | -1.4877 | |
| 280 | E | A | -2.1028 | |
| 281 | P | A | 0.0000 | |
| 282 | V | A | -0.4303 | |
| 283 | Y | A | -1.1660 | |
| 284 | I | A | 0.0000 | |
| 285 | E | A | -2.3712 | |
| 286 | G | A | -1.7589 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.2019 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | R | A | -0.7809 | |
| 294 | Y | A | -0.9673 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -2.9420 | |
| 297 | E | A | -3.0769 | |
| 298 | I | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | -3.3131 | |
| 301 | R | A | -2.6322 | |
| 302 | A | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | A | A | -1.2367 | |
| 305 | W | A | -1.2194 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -2.0056 | |
| 308 | A | A | -1.2576 | |
| 309 | H | A | -1.8722 | |
| 310 | E | A | -2.5827 |
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