| Chain sequence(s) |
A: MASTNPKEIVAELPTMIRVFSDGTVERPQESPFVPPSINDPLTGVSSKDIVISQTPSVSARIYLPKLIPTNDQDHPQNFPILVYFHGGGFFFESAFSQLYHRYFNTFVSQTNVIVVSVEYRRAPEHPLPACYHDCWDALKWVASHSTQNNATNEDPWLISHGNLQRVFIGGDSAGGNIVHNVAMRAGTEPLPCDVKIVGAIFSHPFFCSSNPIGSEVVKGGHEQSPSYLTWGFVYPSAPGGIDNPMVNPLAPAAPSLDGLGCSKILVCVASDDRLRDRGVWYCEGVRKSGWHGELELFEEKGEDHVYHIFHPESENAMKLTQRLRLFLQ
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 (00:02:54)
[INFO] Main: Simulation completed successfully. (00:02:56)
|
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 | 1.0152 | |
| 2 | A | A | 0.2861 | |
| 3 | S | A | -0.3585 | |
| 4 | T | A | -0.9436 | |
| 5 | N | A | -2.4237 | |
| 6 | P | A | -2.3747 | |
| 7 | K | A | -3.1444 | |
| 8 | E | A | -2.4608 | |
| 9 | I | A | -0.5284 | |
| 10 | V | A | 0.6611 | |
| 11 | A | A | -0.0625 | |
| 12 | E | A | -1.3459 | |
| 13 | L | A | -0.7708 | |
| 14 | P | A | -0.7440 | |
| 15 | T | A | -0.7084 | |
| 16 | M | A | -0.6944 | |
| 17 | I | A | 0.0000 | |
| 18 | R | A | -1.3030 | |
| 19 | V | A | -0.9863 | |
| 20 | F | A | -1.2468 | |
| 21 | S | A | -1.6159 | |
| 22 | D | A | -2.5757 | |
| 23 | G | A | -1.5150 | |
| 24 | T | A | -1.2185 | |
| 25 | V | A | -1.0074 | |
| 26 | E | A | -1.3177 | |
| 27 | R | A | -1.0961 | |
| 28 | P | A | -1.1972 | |
| 29 | Q | A | -1.5799 | |
| 30 | E | A | -0.9799 | |
| 31 | S | A | -0.2585 | |
| 32 | P | A | 0.4099 | |
| 33 | F | A | 1.7683 | |
| 34 | V | A | 0.8362 | |
| 35 | P | A | 0.0038 | |
| 36 | P | A | 0.0151 | |
| 37 | S | A | 0.2021 | |
| 38 | I | A | 1.0261 | |
| 39 | N | A | -0.4672 | |
| 40 | D | A | -0.1029 | |
| 41 | P | A | 0.2986 | |
| 42 | L | A | 1.1568 | |
| 43 | T | A | 0.0233 | |
| 44 | G | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | S | A | -0.0655 | |
| 47 | S | A | 0.0000 | |
| 48 | K | A | -0.5198 | |
| 49 | D | A | -0.9810 | |
| 50 | I | A | -0.3619 | |
| 51 | V | A | 0.0899 | |
| 52 | I | A | -0.6274 | |
| 53 | S | A | -0.8334 | |
| 54 | Q | A | -1.2307 | |
| 55 | T | A | -0.8003 | |
| 56 | P | A | -0.9941 | |
| 57 | S | A | -0.8001 | |
| 58 | V | A | 0.0000 | |
| 59 | S | A | -0.2037 | |
| 60 | A | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | P | A | 0.0000 | |
| 66 | K | A | -0.7281 | |
| 67 | L | A | 0.5172 | |
| 68 | I | A | 1.6363 | |
| 69 | P | A | 0.1108 | |
| 70 | T | A | -1.1413 | |
| 71 | N | A | -2.2667 | |
| 72 | D | A | -3.0320 | |
| 73 | Q | A | -3.2352 | |
| 74 | D | A | -3.3412 | |
| 75 | H | A | -2.9899 | |
| 76 | P | A | -1.9788 | |
| 77 | Q | A | -1.3511 | |
| 78 | N | A | -1.7522 | |
| 79 | F | A | 0.0000 | |
| 80 | P | A | -1.4019 | |
| 81 | I | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | Y | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | G | A | -0.1525 | |
| 89 | G | A | -0.0858 | |
| 90 | F | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | E | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | A | A | 0.0000 | |
| 96 | F | A | 0.4830 | |
| 97 | S | A | 0.0000 | |
| 98 | Q | A | -0.1426 | |
| 99 | L | A | 0.0401 | |
| 100 | Y | A | 0.0000 | |
| 101 | H | A | -0.3090 | |
| 102 | R | A | -1.0675 | |
| 103 | Y | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | N | A | 0.0000 | |
| 106 | T | A | -0.5044 | |
| 107 | F | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | S | A | -0.6898 | |
| 110 | Q | A | -1.2295 | |
| 111 | T | A | 0.0000 | |
| 112 | N | A | -1.6062 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | E | A | -0.3673 | |
| 120 | Y | A | 0.0000 | |
| 121 | R | A | -1.1680 | |
| 122 | R | A | -1.1442 | |
| 123 | A | A | 0.0000 | |
| 124 | P | A | -1.1927 | |
| 125 | E | A | -2.0819 | |
| 126 | H | A | -1.5513 | |
| 127 | P | A | -0.9667 | |
| 128 | L | A | 0.0000 | |
| 129 | P | A | -0.4504 | |
| 130 | A | A | -0.8191 | |
| 131 | C | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | H | A | -1.4968 | |
| 134 | D | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | W | A | 0.0000 | |
| 137 | D | A | -2.1582 | |
| 138 | A | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | K | A | -1.0130 | |
| 141 | W | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | S | A | -1.2853 | |
| 145 | H | A | 0.0000 | |
| 146 | S | A | -0.8000 | |
| 147 | T | A | -1.0206 | |
| 148 | Q | A | -2.1737 | |
| 149 | N | A | -2.8994 | |
| 150 | N | A | -2.6269 | |
| 151 | A | A | -2.0964 | |
| 152 | T | A | -1.3779 | |
| 153 | N | A | -1.7698 | |
| 154 | E | A | -2.4725 | |
| 155 | D | A | 0.0000 | |
| 156 | P | A | -0.1431 | |
| 157 | W | A | 0.1077 | |
| 158 | L | A | 0.0000 | |
| 159 | I | A | 0.8878 | |
| 160 | S | A | 0.1861 | |
| 161 | H | A | -0.4169 | |
| 162 | G | A | -0.5297 | |
| 163 | N | A | -1.2390 | |
| 164 | L | A | -1.3521 | |
| 165 | Q | A | -2.3582 | |
| 166 | R | A | -2.4488 | |
| 167 | V | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | S | A | -0.0566 | |
| 174 | A | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | H | A | 0.0000 | |
| 181 | N | A | -0.2966 | |
| 182 | V | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | M | A | -0.6967 | |
| 185 | R | A | -0.9259 | |
| 186 | A | A | -1.0197 | |
| 187 | G | A | -1.2040 | |
| 188 | T | A | -0.7511 | |
| 189 | E | A | -0.9048 | |
| 190 | P | A | -1.3833 | |
| 191 | L | A | 0.0000 | |
| 192 | P | A | -1.0713 | |
| 193 | C | A | -1.0345 | |
| 194 | D | A | -2.2720 | |
| 195 | V | A | 0.0000 | |
| 196 | K | A | -2.6083 | |
| 197 | I | A | 0.0000 | |
| 198 | V | A | -0.9193 | |
| 199 | G | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | H | A | 0.0000 | |
| 205 | P | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | S | A | -1.2171 | |
| 211 | N | A | -1.2031 | |
| 212 | P | A | -0.3482 | |
| 213 | I | A | 0.1050 | |
| 214 | G | A | -0.4594 | |
| 215 | S | A | -0.3191 | |
| 216 | E | A | 0.0000 | |
| 217 | V | A | 0.9247 | |
| 218 | V | A | -0.2225 | |
| 219 | K | A | -1.7447 | |
| 220 | G | A | -1.6385 | |
| 221 | G | A | -1.3648 | |
| 222 | H | A | -1.2748 | |
| 223 | E | A | -2.3561 | |
| 224 | Q | A | -2.0752 | |
| 225 | S | A | 0.0000 | |
| 226 | P | A | -0.6483 | |
| 227 | S | A | -0.4614 | |
| 228 | Y | A | -0.4513 | |
| 229 | L | A | -0.3051 | |
| 230 | T | A | -0.0208 | |
| 231 | W | A | 0.0000 | |
| 232 | G | A | -0.2786 | |
| 233 | F | A | -0.0857 | |
| 234 | V | A | 0.0000 | |
| 235 | Y | A | -0.2785 | |
| 236 | P | A | -0.3930 | |
| 237 | S | A | -0.5197 | |
| 238 | A | A | -0.5868 | |
| 239 | P | A | -0.6838 | |
| 240 | G | A | -0.9054 | |
| 241 | G | A | -0.8314 | |
| 242 | I | A | 0.0000 | |
| 243 | D | A | -0.9028 | |
| 244 | N | A | 0.0000 | |
| 245 | P | A | -0.1427 | |
| 246 | M | A | 0.1471 | |
| 247 | V | A | 0.0000 | |
| 248 | N | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | L | A | 0.6016 | |
| 251 | A | A | 0.0000 | |
| 252 | P | A | -0.1798 | |
| 253 | A | A | -0.1683 | |
| 254 | A | A | -0.0514 | |
| 255 | P | A | -0.4484 | |
| 256 | S | A | -0.9625 | |
| 257 | L | A | 0.0000 | |
| 258 | D | A | -2.4612 | |
| 259 | G | A | -1.3386 | |
| 260 | L | A | 0.0000 | |
| 261 | G | A | -1.0391 | |
| 262 | C | A | 0.0000 | |
| 263 | S | A | -1.0586 | |
| 264 | K | A | -1.1384 | |
| 265 | I | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | C | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | S | A | -2.8478 | |
| 272 | D | A | -3.3329 | |
| 273 | D | A | 0.0000 | |
| 274 | R | A | -2.8649 | |
| 275 | L | A | -1.5288 | |
| 276 | R | A | -2.1062 | |
| 277 | D | A | -0.7755 | |
| 278 | R | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | V | A | 0.1389 | |
| 281 | W | A | -0.0137 | |
| 282 | Y | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | E | A | -1.6186 | |
| 285 | G | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | R | A | -3.5807 | |
| 288 | K | A | -3.1874 | |
| 289 | S | A | -2.3552 | |
| 290 | G | A | -2.2376 | |
| 291 | W | A | 0.0000 | |
| 292 | H | A | -2.1150 | |
| 293 | G | A | -1.9864 | |
| 294 | E | A | -2.3375 | |
| 295 | L | A | -1.2518 | |
| 296 | E | A | -0.5181 | |
| 297 | L | A | 0.3069 | |
| 298 | F | A | -0.3847 | |
| 299 | E | A | -2.0792 | |
| 300 | E | A | 0.0000 | |
| 301 | K | A | -2.9899 | |
| 302 | G | A | -2.3602 | |
| 303 | E | A | -2.3858 | |
| 304 | D | A | -2.6117 | |
| 305 | H | A | -1.3911 | |
| 306 | V | A | 0.0000 | |
| 307 | Y | A | 0.0000 | |
| 308 | H | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | F | A | 0.3839 | |
| 311 | H | A | -1.3187 | |
| 312 | P | A | 0.0000 | |
| 313 | E | A | -2.6518 | |
| 314 | S | A | -2.2212 | |
| 315 | E | A | -2.8692 | |
| 316 | N | A | -2.5540 | |
| 317 | A | A | 0.0000 | |
| 318 | M | A | -2.1702 | |
| 319 | K | A | -2.6805 | |
| 320 | L | A | 0.0000 | |
| 321 | T | A | 0.0000 | |
| 322 | Q | A | -1.7767 | |
| 323 | R | A | -1.0176 | |
| 324 | L | A | 0.0000 | |
| 325 | R | A | -1.6120 | |
| 326 | L | A | -0.0262 | |
| 327 | F | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | Q | A | -1.3441 |
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