| Chain sequence(s) |
A: MHSQKRVVVLGSGVIGLSSALILARKGYSVHILARDLPEDVSSQTFASPWAGATWTPFMTLTDGPRQAKWEESTFKKWVELVPTGHAMWLKGTRRFAQNEDGLLGHWYKDITPNYRPLPSSECPPGAIGVTYDTLSVHAPKYCQYLARELQKLGATFERRTVTSLEQAFDGADLVVNATGLGAKSIAGIDDQAAEPIRGQTVLVKSPCKRCTTDSSDPASPAYIIPRPGGEVICGGTYGVGDWDLSVNPETVQRILKHCLRLDPTISSDGTIEGIEVLRHNVGLRPARRGGPRVEAERIVLPLDRTKSPLSLGRGSARAAKEKEVTLVHAYGFSQAGYQQSWGAAEDVAQLVDEAFQRYHG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | TL326A,AL296A,QP67A,NM281A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -2.87284 kcal/mol |
| 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] FoldX: Building mutant model (00:03:27)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:56)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:56)
[INFO] Main: Simulation completed successfully. (00:05:58)
|
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 | 0.4016 | |
| 2 | H | A | -1.0931 | |
| 3 | S | A | -1.6383 | |
| 4 | Q | A | -2.2322 | |
| 5 | K | A | -2.7210 | |
| 6 | R | A | -3.1098 | |
| 7 | V | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | L | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | G | A | -0.1593 | |
| 14 | V | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | S | A | 0.0000 | |
| 19 | S | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | I | A | -1.1927 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.3835 | |
| 26 | K | A | -2.1029 | |
| 27 | G | A | -1.8190 | |
| 28 | Y | A | 0.0000 | |
| 29 | S | A | -1.6665 | |
| 30 | V | A | 0.0000 | |
| 31 | H | A | -0.8044 | |
| 32 | I | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | R | A | -2.1047 | |
| 36 | D | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | P | A | 0.0000 | |
| 39 | E | A | -1.8762 | |
| 40 | D | A | -0.8492 | |
| 41 | V | A | 0.1467 | |
| 42 | S | A | -0.0194 | |
| 43 | S | A | -0.1927 | |
| 44 | Q | A | -0.0600 | |
| 45 | T | A | -0.2562 | |
| 46 | F | A | 0.0129 | |
| 47 | A | A | -0.0444 | |
| 48 | S | A | 0.0000 | |
| 49 | P | A | 0.0000 | |
| 50 | W | A | 0.2247 | |
| 51 | A | A | -0.0839 | |
| 52 | G | A | -0.0820 | |
| 53 | A | A | 0.0000 | |
| 54 | T | A | -0.0018 | |
| 55 | W | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | 0.0000 | |
| 58 | F | A | 0.5579 | |
| 59 | M | A | 0.3240 | |
| 60 | T | A | -0.1045 | |
| 61 | L | A | 0.3444 | |
| 62 | T | A | -0.4432 | |
| 63 | D | A | -1.4151 | |
| 64 | G | A | 0.0000 | |
| 65 | P | A | -0.8818 | |
| 66 | R | A | -1.6105 | |
| 67 | P | A | 0.0000 | mutated: QP67A |
| 68 | A | A | 0.0000 | |
| 69 | K | A | -2.1918 | |
| 70 | W | A | 0.0000 | |
| 71 | E | A | 0.0000 | |
| 72 | E | A | -2.3049 | |
| 73 | S | A | -1.7290 | |
| 74 | T | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | K | A | -2.2884 | |
| 77 | K | A | -1.6769 | |
| 78 | W | A | 0.0000 | |
| 79 | V | A | -0.7269 | |
| 80 | E | A | -2.0247 | |
| 81 | L | A | 0.0000 | |
| 82 | V | A | -0.2281 | |
| 83 | P | A | -0.5310 | |
| 84 | T | A | -0.6190 | |
| 85 | G | A | -0.7701 | |
| 86 | H | A | -0.8842 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | -0.2152 | |
| 89 | W | A | -0.4612 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -2.4407 | |
| 92 | G | A | -1.8555 | |
| 93 | T | A | 0.0000 | |
| 94 | R | A | -0.9458 | |
| 95 | R | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | Q | A | -2.4121 | |
| 99 | N | A | -2.8528 | |
| 100 | E | A | -3.3599 | |
| 101 | D | A | -3.2379 | |
| 102 | G | A | -2.0945 | |
| 103 | L | A | 0.0000 | |
| 104 | L | A | -0.9720 | |
| 105 | G | A | -1.1866 | |
| 106 | H | A | -1.6568 | |
| 107 | W | A | -0.6012 | |
| 108 | Y | A | 0.0000 | |
| 109 | K | A | -2.9672 | |
| 110 | D | A | -2.7551 | |
| 111 | I | A | -1.7596 | |
| 112 | T | A | 0.0000 | |
| 113 | P | A | -1.7867 | |
| 114 | N | A | -2.4461 | |
| 115 | Y | A | -2.2082 | |
| 116 | R | A | -2.3574 | |
| 117 | P | A | -1.1442 | |
| 118 | L | A | -0.9408 | |
| 119 | P | A | -1.0186 | |
| 120 | S | A | -0.9922 | |
| 121 | S | A | -1.2035 | |
| 122 | E | A | -1.9941 | |
| 123 | C | A | -1.0314 | |
| 124 | P | A | -1.0223 | |
| 125 | P | A | -0.8115 | |
| 126 | G | A | -0.9084 | |
| 127 | A | A | -1.2498 | |
| 128 | I | A | -1.1687 | |
| 129 | G | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | D | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.9246 | |
| 139 | A | A | 0.0000 | |
| 140 | P | A | -0.9309 | |
| 141 | K | A | -1.8940 | |
| 142 | Y | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | Q | A | -1.5621 | |
| 145 | Y | A | -1.3554 | |
| 146 | L | A | 0.0000 | |
| 147 | A | A | -1.9136 | |
| 148 | R | A | -2.9034 | |
| 149 | E | A | -2.5825 | |
| 150 | L | A | 0.0000 | |
| 151 | Q | A | -2.7798 | |
| 152 | K | A | -2.8074 | |
| 153 | L | A | -1.8203 | |
| 154 | G | A | -1.5108 | |
| 155 | A | A | 0.0000 | |
| 156 | T | A | -0.5545 | |
| 157 | F | A | -0.4985 | |
| 158 | E | A | -1.5444 | |
| 159 | R | A | -2.4826 | |
| 160 | R | A | -1.8534 | |
| 161 | T | A | -1.1949 | |
| 162 | V | A | 0.0000 | |
| 163 | T | A | -0.0022 | |
| 164 | S | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -1.3357 | |
| 167 | Q | A | -1.2730 | |
| 168 | A | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | D | A | -2.2217 | |
| 171 | G | A | -1.9343 | |
| 172 | A | A | 0.0000 | |
| 173 | D | A | -2.9078 | |
| 174 | L | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | T | A | -0.1961 | |
| 180 | G | A | -0.2267 | |
| 181 | L | A | -0.4031 | |
| 182 | G | A | -0.3169 | |
| 183 | A | A | 0.0000 | |
| 184 | K | A | -1.1530 | |
| 185 | S | A | -0.5402 | |
| 186 | I | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | I | A | -0.2879 | |
| 190 | D | A | -0.7734 | |
| 191 | D | A | -1.3586 | |
| 192 | Q | A | -1.9061 | |
| 193 | A | A | -1.8258 | |
| 194 | A | A | 0.0000 | |
| 195 | E | A | -1.2871 | |
| 196 | P | A | 0.0000 | |
| 197 | I | A | 0.4381 | |
| 198 | R | A | 0.0000 | |
| 199 | G | A | 0.1867 | |
| 200 | Q | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | K | A | -1.7727 | |
| 206 | S | A | 0.0000 | |
| 207 | P | A | -1.2507 | |
| 208 | C | A | 0.0000 | |
| 209 | K | A | -2.5907 | |
| 210 | R | A | -2.2752 | |
| 211 | C | A | 0.0000 | |
| 212 | T | A | 0.0000 | |
| 213 | T | A | -0.0942 | |
| 214 | D | A | 0.0000 | |
| 215 | S | A | -0.7622 | |
| 216 | S | A | -1.1455 | |
| 217 | D | A | -1.0494 | |
| 218 | P | A | -0.7379 | |
| 219 | A | A | -0.2879 | |
| 220 | S | A | 0.0000 | |
| 221 | P | A | -0.2515 | |
| 222 | A | A | 0.0000 | |
| 223 | Y | A | 0.0573 | |
| 224 | I | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | R | A | 0.0000 | |
| 228 | P | A | -0.9109 | |
| 229 | G | A | -0.8906 | |
| 230 | G | A | -1.1880 | |
| 231 | E | A | -1.3067 | |
| 232 | V | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | C | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | T | A | 0.4338 | |
| 238 | Y | A | 0.7554 | |
| 239 | G | A | 0.6861 | |
| 240 | V | A | 1.5459 | |
| 241 | G | A | 0.1684 | |
| 242 | D | A | -0.2314 | |
| 243 | W | A | 0.1971 | |
| 244 | D | A | -0.9190 | |
| 245 | L | A | 0.0031 | |
| 246 | S | A | -0.1114 | |
| 247 | V | A | -0.1583 | |
| 248 | N | A | -1.2658 | |
| 249 | P | A | -1.6388 | |
| 250 | E | A | -2.5592 | |
| 251 | T | A | -1.7699 | |
| 252 | V | A | 0.0000 | |
| 253 | Q | A | -2.5892 | |
| 254 | R | A | -2.1069 | |
| 255 | I | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | K | A | -2.4894 | |
| 258 | H | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | L | A | -1.3266 | |
| 261 | R | A | -2.1314 | |
| 262 | L | A | 0.0000 | |
| 263 | D | A | 0.0000 | |
| 264 | P | A | -1.1704 | |
| 265 | T | A | -1.0977 | |
| 266 | I | A | 0.0000 | |
| 267 | S | A | -1.5149 | |
| 268 | S | A | -1.8785 | |
| 269 | D | A | -2.2758 | |
| 270 | G | A | -1.5842 | |
| 271 | T | A | -1.5647 | |
| 272 | I | A | -1.6099 | |
| 273 | E | A | -2.1852 | |
| 274 | G | A | -1.9005 | |
| 275 | I | A | 0.0000 | |
| 276 | E | A | -2.1427 | |
| 277 | V | A | -0.8531 | |
| 278 | L | A | -0.8302 | |
| 279 | R | A | -1.9050 | |
| 280 | H | A | -1.0848 | |
| 281 | M | A | 0.0000 | mutated: NM281A |
| 282 | V | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | R | A | -0.0829 | |
| 286 | P | A | -0.4005 | |
| 287 | A | A | 0.0000 | |
| 288 | R | A | -1.9785 | |
| 289 | R | A | -2.6784 | |
| 290 | G | A | -1.5634 | |
| 291 | G | A | -1.1348 | |
| 292 | P | A | -0.8984 | |
| 293 | R | A | -0.7949 | |
| 294 | V | A | -0.6671 | |
| 295 | E | A | -1.0637 | |
| 296 | L | A | -0.5245 | mutated: AL296A |
| 297 | E | A | -0.6775 | |
| 298 | R | A | -0.7407 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | -1.0069 | |
| 301 | L | A | 0.0000 | |
| 302 | P | A | -1.7733 | |
| 303 | L | A | 0.0000 | |
| 304 | D | A | -1.6084 | |
| 305 | R | A | -1.6873 | |
| 306 | T | A | -1.0599 | |
| 307 | K | A | -1.1523 | |
| 308 | S | A | 0.0000 | |
| 309 | P | A | -0.2841 | |
| 310 | L | A | 0.5581 | |
| 311 | S | A | 0.0000 | |
| 312 | L | A | 0.7621 | |
| 313 | G | A | -0.8104 | |
| 314 | R | A | -2.1452 | |
| 315 | G | A | -1.7338 | |
| 316 | S | A | -1.6883 | |
| 317 | A | A | -1.7366 | |
| 318 | R | A | -2.6117 | |
| 319 | A | A | -1.8424 | |
| 320 | A | A | -2.0250 | |
| 321 | K | A | -3.1257 | |
| 322 | E | A | -3.6559 | |
| 323 | K | A | -3.2678 | |
| 324 | E | A | -2.6043 | |
| 325 | V | A | 0.0000 | |
| 326 | L | A | 0.0000 | mutated: TL326A |
| 327 | L | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | H | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | S | A | -0.6534 | |
| 335 | Q | A | -0.3840 | |
| 336 | A | A | 0.0000 | |
| 337 | G | A | -0.2289 | |
| 338 | Y | A | 0.0000 | |
| 339 | Q | A | 0.0000 | |
| 340 | Q | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | W | A | -0.6787 | |
| 343 | G | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | E | A | -1.7162 | |
| 347 | D | A | -2.0738 | |
| 348 | V | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | Q | A | -2.2204 | |
| 351 | L | A | -1.5857 | |
| 352 | V | A | 0.0000 | |
| 353 | D | A | -2.3606 | |
| 354 | E | A | -2.5574 | |
| 355 | A | A | 0.0000 | |
| 356 | F | A | -2.1467 | |
| 357 | Q | A | -2.6327 | |
| 358 | R | A | -2.7034 | |
| 359 | Y | A | -1.5772 | |
| 360 | H | A | -1.6717 | |
| 361 | G | A | -1.3711 |
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