| Chain sequence(s) | MAPPLLLLLLASGAAACPLPCVCQNLSESLSTLCAHRGLLFVPPNVDRRTVELRLADNFIQALGPPDFRNMTGLVDLTLSRNAITRIGARSFGDLESLRSLHLDGNRLVELGSSSLRGPVNLQHLILSGNQLGRIAPGAFDDFLDSLEDLDVSYNNLRQVPWAGIGSMPALHTLNLDHNLIDALPPGVFAQLSQLSRLDLTSNRLATLAPDPLFSRGRDAEASPSPLVLSFSGNPLHCNCELLWLRRLARPDDLETCASPPTLAGRYFWAVPEGEFSCEPPLIARHTQRLWVLEGQRATLRCRALGDPVPTMHWVGPDDRLVGNSSRAWAFPNGTLEIGVTGAGDAGAYTCIATNPAGEATARVELRVLALPHGGNTSAEGGRPGPSDIAASARTAAEGEGTLESEPAVQVTEVTATSGLVSWGPGRPADPVWMFQIQYNSSEDETLIYRIVPASSQHFLLKHLVPGADYDLCLLALSPAAGPSDLTATRLLGCAHFSTLPATPLCHALQAHVLGGTLTVAVGGVLVAALLVFTVALLVRGRGAGNGRLPLKLSHVQSQTNGGTSPMPKSHPPRSPPPRPQRSCSLDLGDTGGCYGYARRLGGAWARRSHSVHGGLLGAGCRGMGGSAERLEESVV input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7e2d29b40a7ffe/tmp/folded.pdb (00:11:18)
[INFO] Main: Simulation completed successfully. (00:20:11)
|
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 | 1.0289 | |
| 2 | A | A | 0.5946 | |
| 3 | P | A | 0.4250 | |
| 4 | P | A | 0.9291 | |
| 5 | L | A | 2.7863 | |
| 6 | L | A | 3.5334 | |
| 7 | L | A | 4.0956 | |
| 8 | L | A | 4.0629 | |
| 9 | L | A | 3.6489 | |
| 10 | L | A | 2.8156 | |
| 11 | A | A | 1.1724 | |
| 12 | S | A | 0.2826 | |
| 13 | G | A | -0.3047 | |
| 14 | A | A | -0.1548 | |
| 15 | A | A | -0.3697 | |
| 16 | A | A | -0.3265 | |
| 17 | C | A | 0.7039 | |
| 18 | P | A | 0.0000 | |
| 19 | L | A | 1.6649 | |
| 20 | P | A | 0.5158 | |
| 21 | C | A | 0.7258 | |
| 22 | V | A | 1.4852 | |
| 23 | C | A | 0.6840 | |
| 24 | Q | A | -0.5509 | |
| 25 | N | A | -1.2826 | |
| 26 | L | A | 0.1042 | |
| 27 | S | A | -0.7242 | |
| 28 | E | A | -1.8268 | |
| 29 | S | A | -1.1350 | |
| 30 | L | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | T | A | 0.0000 | |
| 33 | L | A | -0.0158 | |
| 34 | C | A | 0.0000 | |
| 35 | A | A | -1.3852 | |
| 36 | H | A | -2.0339 | |
| 37 | R | A | -1.8196 | |
| 38 | G | A | -0.4920 | |
| 39 | L | A | 0.8282 | |
| 40 | L | A | 2.3637 | |
| 41 | F | A | 2.3256 | |
| 42 | V | A | 0.0000 | |
| 43 | P | A | 0.0000 | |
| 44 | P | A | -0.8666 | |
| 45 | N | A | -1.2176 | |
| 46 | V | A | 0.0000 | |
| 47 | D | A | -1.3158 | |
| 48 | R | A | -2.1619 | |
| 49 | R | A | -2.2877 | |
| 50 | T | A | 0.0000 | |
| 51 | V | A | -0.6765 | |
| 52 | E | A | -0.7604 | |
| 53 | L | A | 0.0000 | |
| 54 | R | A | -1.4832 | |
| 55 | L | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | -1.5411 | |
| 58 | N | A | -0.1710 | |
| 59 | F | A | 1.6526 | |
| 60 | I | A | 0.0000 | |
| 61 | Q | A | 0.0403 | |
| 62 | A | A | -0.2312 | |
| 63 | L | A | 0.0000 | |
| 64 | G | A | -0.8606 | |
| 65 | P | A | -1.3235 | |
| 66 | P | A | -1.2318 | |
| 67 | D | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | R | A | -2.5780 | |
| 70 | N | A | -2.7556 | |
| 71 | M | A | 0.0000 | |
| 72 | T | A | -1.7784 | |
| 73 | G | A | -1.3067 | |
| 74 | L | A | 0.0000 | |
| 75 | V | A | -0.8050 | |
| 76 | D | A | -1.1684 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -1.0152 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | R | A | -1.8647 | |
| 82 | N | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | T | A | -1.3549 | |
| 86 | R | A | -1.7183 | |
| 87 | I | A | -1.1466 | |
| 88 | G | A | 0.0000 | |
| 89 | A | A | -1.1731 | |
| 90 | R | A | -2.3027 | |
| 91 | S | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | G | A | -1.9009 | |
| 94 | D | A | -2.1553 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | -2.2527 | |
| 97 | S | A | -1.3968 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -2.0908 | |
| 100 | S | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | H | A | -0.7142 | |
| 103 | L | A | 0.0000 | |
| 104 | D | A | -0.9127 | |
| 105 | G | A | -1.4058 | |
| 106 | N | A | 0.0000 | |
| 107 | R | A | -1.9934 | |
| 108 | L | A | 0.0000 | |
| 109 | V | A | -0.5991 | |
| 110 | E | A | -2.3423 | |
| 111 | L | A | 0.0000 | |
| 112 | G | A | -1.2930 | |
| 113 | S | A | -1.0090 | |
| 114 | S | A | -1.1505 | |
| 115 | S | A | -1.1947 | |
| 116 | L | A | 0.0000 | |
| 117 | R | A | -1.4223 | |
| 118 | G | A | -1.4310 | |
| 119 | P | A | 0.0000 | |
| 120 | V | A | -0.8119 | |
| 121 | N | A | -1.7091 | |
| 122 | L | A | 0.0000 | |
| 123 | Q | A | -1.4901 | |
| 124 | H | A | -1.2256 | |
| 125 | L | A | 0.0000 | |
| 126 | I | A | -0.1169 | |
| 127 | L | A | 0.0000 | |
| 128 | S | A | -0.2483 | |
| 129 | G | A | -0.5715 | |
| 130 | N | A | 0.0000 | |
| 131 | Q | A | -1.5428 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -1.8612 | |
| 134 | R | A | -2.9042 | |
| 135 | I | A | 0.0000 | |
| 136 | A | A | -1.0466 | |
| 137 | P | A | -0.8347 | |
| 138 | G | A | -1.0601 | |
| 139 | A | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | D | A | -2.1903 | |
| 142 | D | A | -1.4178 | |
| 143 | F | A | 0.0000 | |
| 144 | L | A | -1.3007 | |
| 145 | D | A | -2.0965 | |
| 146 | S | A | -1.4211 | |
| 147 | L | A | 0.0000 | |
| 148 | E | A | -1.4498 | |
| 149 | D | A | -1.0095 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | -0.3316 | |
| 152 | V | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | Y | A | 0.2820 | |
| 155 | N | A | 0.0000 | |
| 156 | N | A | -1.4165 | |
| 157 | L | A | 0.0000 | |
| 158 | R | A | -3.0675 | |
| 159 | Q | A | -2.0605 | |
| 160 | V | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | W | A | 0.0275 | |
| 163 | A | A | 0.0258 | |
| 164 | G | A | -0.3980 | |
| 165 | I | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | S | A | -0.8042 | |
| 168 | M | A | 0.0000 | |
| 169 | P | A | -1.2949 | |
| 170 | A | A | -1.2372 | |
| 171 | L | A | 0.0000 | |
| 172 | H | A | -1.2442 | |
| 173 | T | A | -0.7945 | |
| 174 | L | A | 0.0000 | |
| 175 | N | A | -0.4035 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | 0.0000 | |
| 178 | H | A | -0.3535 | |
| 179 | N | A | 0.0000 | |
| 180 | L | A | -1.4526 | |
| 181 | I | A | 0.0000 | |
| 182 | D | A | -2.8197 | |
| 183 | A | A | -1.3869 | |
| 184 | L | A | -0.3514 | |
| 185 | P | A | -0.1122 | |
| 186 | P | A | -0.3682 | |
| 187 | G | A | -0.5502 | |
| 188 | V | A | -0.2206 | |
| 189 | F | A | 0.0000 | |
| 190 | A | A | -0.7550 | |
| 191 | Q | A | -1.4579 | |
| 192 | L | A | 0.0000 | |
| 193 | S | A | -1.0866 | |
| 194 | Q | A | -1.4414 | |
| 195 | L | A | 0.0000 | |
| 196 | S | A | -0.4569 | |
| 197 | R | A | -0.3624 | |
| 198 | L | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | T | A | -0.5303 | |
| 202 | S | A | -0.5772 | |
| 203 | N | A | 0.0000 | |
| 204 | R | A | -2.5260 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -0.8858 | |
| 207 | T | A | -0.5890 | |
| 208 | L | A | 0.0000 | |
| 209 | A | A | -0.2712 | |
| 210 | P | A | -0.4486 | |
| 211 | D | A | 0.0000 | |
| 212 | P | A | -0.6460 | |
| 213 | L | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | S | A | -1.2802 | |
| 216 | R | A | -1.5743 | |
| 217 | G | A | -2.2352 | |
| 218 | R | A | -3.2749 | |
| 219 | D | A | -3.4502 | |
| 220 | A | A | -2.4270 | |
| 221 | E | A | -2.6524 | |
| 222 | A | A | -1.8402 | |
| 223 | S | A | -1.5197 | |
| 224 | P | A | -0.8567 | |
| 225 | S | A | -0.4789 | |
| 226 | P | A | -0.7607 | |
| 227 | L | A | 0.0000 | |
| 228 | V | A | 1.2850 | |
| 229 | L | A | 0.0000 | |
| 230 | S | A | -0.3243 | |
| 231 | F | A | 0.0000 | |
| 232 | S | A | -0.4837 | |
| 233 | G | A | -0.7859 | |
| 234 | N | A | 0.0000 | |
| 235 | P | A | -0.9129 | |
| 236 | L | A | 0.0000 | |
| 237 | H | A | -0.3226 | |
| 238 | C | A | 0.0000 | |
| 239 | N | A | 0.0000 | |
| 240 | C | A | -0.6435 | |
| 241 | E | A | -0.5184 | |
| 242 | L | A | 0.0000 | |
| 243 | L | A | -0.6960 | |
| 244 | W | A | -0.5989 | |
| 245 | L | A | 0.0000 | |
| 246 | R | A | -1.2166 | |
| 247 | R | A | -1.9369 | |
| 248 | L | A | -1.2455 | |
| 249 | A | A | -1.1507 | |
| 250 | R | A | -1.3629 | |
| 251 | P | A | -1.5048 | |
| 252 | D | A | -2.2601 | |
| 253 | D | A | -2.0300 | |
| 254 | L | A | 0.0708 | |
| 255 | E | A | 0.0000 | |
| 256 | T | A | 0.0996 | |
| 257 | C | A | 0.0000 | |
| 258 | A | A | -0.2868 | |
| 259 | S | A | -0.3737 | |
| 260 | P | A | -0.3516 | |
| 261 | P | A | -0.3902 | |
| 262 | T | A | -0.4239 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | -0.4067 | |
| 265 | G | A | -0.5917 | |
| 266 | R | A | -0.2120 | |
| 267 | Y | A | 0.4586 | |
| 268 | F | A | 0.0000 | |
| 269 | W | A | -0.6131 | |
| 270 | A | A | 0.0205 | |
| 271 | V | A | 0.0000 | |
| 272 | P | A | -1.0810 | |
| 273 | E | A | -1.6223 | |
| 274 | G | A | -1.2105 | |
| 275 | E | A | -1.1637 | |
| 276 | F | A | 0.0000 | |
| 277 | S | A | -0.9984 | |
| 278 | C | A | -1.0525 | |
| 279 | E | A | -1.5764 | |
| 280 | P | A | -1.0093 | |
| 281 | P | A | 0.0000 | |
| 282 | L | A | 0.8200 | |
| 283 | I | A | -0.0351 | |
| 284 | A | A | -0.6353 | |
| 285 | R | A | -2.6385 | |
| 286 | H | A | -2.9296 | |
| 287 | T | A | -2.6430 | |
| 288 | Q | A | -3.0222 | |
| 289 | R | A | -2.6067 | |
| 290 | L | A | -0.5914 | |
| 291 | W | A | 0.6515 | |
| 292 | V | A | 0.0000 | |
| 293 | L | A | 0.1906 | |
| 294 | E | A | -0.4445 | |
| 295 | G | A | -0.7753 | |
| 296 | Q | A | -1.6507 | |
| 297 | R | A | -2.1380 | |
| 298 | A | A | 0.0000 | |
| 299 | T | A | -0.9608 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | -2.9570 | |
| 302 | C | A | 0.0000 | |
| 303 | R | A | -2.6933 | |
| 304 | A | A | 0.0000 | |
| 305 | L | A | 0.8200 | |
| 306 | G | A | 0.4034 | |
| 307 | D | A | -0.3613 | |
| 308 | P | A | 0.1216 | |
| 309 | V | A | 1.5029 | |
| 310 | P | A | 0.1462 | |
| 311 | T | A | -0.2920 | |
| 312 | M | A | -0.4492 | |
| 313 | H | A | -0.1443 | |
| 314 | W | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | G | A | -1.6935 | |
| 317 | P | A | -1.8863 | |
| 318 | D | A | -3.2003 | |
| 319 | D | A | -3.2470 | |
| 320 | R | A | -2.6884 | |
| 321 | L | A | -0.2361 | |
| 322 | V | A | -0.4710 | |
| 323 | G | A | -0.7251 | |
| 324 | N | A | -1.3571 | |
| 325 | S | A | -1.1459 | |
| 326 | S | A | -0.7355 | |
| 327 | R | A | -1.0021 | |
| 328 | A | A | -0.7591 | |
| 329 | W | A | -0.5096 | |
| 330 | A | A | -0.4401 | |
| 331 | F | A | -0.4309 | |
| 332 | P | A | -0.8106 | |
| 333 | N | A | -1.9025 | |
| 334 | G | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | E | A | -0.9204 | |
| 338 | I | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | V | A | 0.0246 | |
| 341 | T | A | 0.0000 | |
| 342 | G | A | -0.4300 | |
| 343 | A | A | -0.3068 | |
| 344 | G | A | -0.6335 | |
| 345 | D | A | 0.0000 | |
| 346 | A | A | -0.3566 | |
| 347 | G | A | -0.7647 | |
| 348 | A | A | -1.6119 | |
| 349 | Y | A | 0.0000 | |
| 350 | T | A | -1.0715 | |
| 351 | C | A | 0.0000 | |
| 352 | I | A | -0.4519 | |
| 353 | A | A | 0.0000 | |
| 354 | T | A | -0.5378 | |
| 355 | N | A | -0.7497 | |
| 356 | P | A | -0.8543 | |
| 357 | A | A | -1.2544 | |
| 358 | G | A | -1.3226 | |
| 359 | E | A | -1.6854 | |
| 360 | A | A | -0.4006 | |
| 361 | T | A | -0.4929 | |
| 362 | A | A | -1.0514 | |
| 363 | R | A | -2.4340 | |
| 364 | V | A | 0.0000 | |
| 365 | E | A | -1.8786 | |
| 366 | L | A | 0.0000 | |
| 367 | R | A | -0.6556 | |
| 368 | V | A | 0.1942 | |
| 369 | L | A | 0.7586 | |
| 370 | A | A | 0.3718 | |
| 371 | L | A | 0.5105 | |
| 372 | P | A | -0.4162 | |
| 373 | H | A | -1.3783 | |
| 374 | G | A | -1.4620 | |
| 375 | G | A | -1.6710 | |
| 376 | N | A | -1.8143 | |
| 377 | T | A | -0.9571 | |
| 378 | S | A | -0.9821 | |
| 379 | A | A | -1.1850 | |
| 380 | E | A | -2.3640 | |
| 381 | G | A | -1.9585 | |
| 382 | G | A | -1.9991 | |
| 383 | R | A | -2.6383 | |
| 384 | P | A | -1.5612 | |
| 385 | G | A | -1.4032 | |
| 386 | P | A | -1.0510 | |
| 387 | S | A | -0.7813 | |
| 388 | D | A | -1.0193 | |
| 389 | I | A | 1.0769 | |
| 390 | A | A | 0.5574 | |
| 391 | A | A | 0.2150 | |
| 392 | S | A | -0.3821 | |
| 393 | A | A | -0.9303 | |
| 394 | R | A | -1.8778 | |
| 395 | T | A | -1.1291 | |
| 396 | A | A | -0.8426 | |
| 397 | A | A | -1.3545 | |
| 398 | E | A | -2.5399 | |
| 399 | G | A | -2.3479 | |
| 400 | E | A | -2.5784 | |
| 401 | G | A | -1.5007 | |
| 402 | T | A | -0.5249 | |
| 403 | L | A | -0.0736 | |
| 404 | E | A | -1.7784 | |
| 405 | S | A | -1.6507 | |
| 406 | E | A | -2.4588 | |
| 407 | P | A | -1.5814 | |
| 408 | A | A | -0.9020 | |
| 409 | V | A | 0.0000 | |
| 410 | Q | A | -1.1949 | |
| 411 | V | A | -0.3916 | |
| 412 | T | A | -0.6045 | |
| 413 | E | A | -1.3026 | |
| 414 | V | A | -0.0149 | |
| 415 | T | A | -0.0601 | |
| 416 | A | A | 0.4102 | |
| 417 | T | A | -0.2878 | |
| 418 | S | A | -0.5217 | |
| 419 | G | A | 0.0000 | |
| 420 | L | A | -0.1349 | |
| 421 | V | A | 0.0000 | |
| 422 | S | A | -0.7926 | |
| 423 | W | A | 0.0000 | |
| 424 | G | A | -1.7236 | |
| 425 | P | A | -1.5404 | |
| 426 | G | A | -1.5664 | |
| 427 | R | A | -2.4322 | |
| 428 | P | A | -1.7052 | |
| 429 | A | A | -1.1949 | |
| 430 | D | A | -1.6192 | |
| 431 | P | A | -0.7226 | |
| 432 | V | A | -0.0545 | |
| 433 | W | A | 1.0732 | |
| 434 | M | A | 1.0886 | |
| 435 | F | A | 0.0000 | |
| 436 | Q | A | 0.7560 | |
| 437 | I | A | 0.0000 | |
| 438 | Q | A | 0.3584 | |
| 439 | Y | A | 0.0000 | |
| 440 | N | A | -1.8522 | |
| 441 | S | A | -2.3679 | |
| 442 | S | A | -2.5498 | |
| 443 | E | A | -3.0794 | |
| 444 | D | A | -3.1318 | |
| 445 | E | A | -3.1093 | |
| 446 | T | A | -1.2064 | |
| 447 | L | A | -0.0141 | |
| 448 | I | A | 0.5736 | |
| 449 | Y | A | 1.5502 | |
| 450 | R | A | 0.8079 | |
| 451 | I | A | 1.8351 | |
| 452 | V | A | 0.0000 | |
| 453 | P | A | 0.3139 | |
| 454 | A | A | 0.2924 | |
| 455 | S | A | -0.4513 | |
| 456 | S | A | -0.9550 | |
| 457 | Q | A | -1.7696 | |
| 458 | H | A | -1.1399 | |
| 459 | F | A | 0.2383 | |
| 460 | L | A | 0.5472 | |
| 461 | L | A | 0.0000 | |
| 462 | K | A | -1.5744 | |
| 463 | H | A | -1.4969 | |
| 464 | L | A | 0.0000 | |
| 465 | V | A | 0.1828 | |
| 466 | P | A | 0.3134 | |
| 467 | G | A | -0.3200 | |
| 468 | A | A | 0.0000 | |
| 469 | D | A | -1.9658 | |
| 470 | Y | A | 0.0000 | |
| 471 | D | A | -2.5900 | |
| 472 | L | A | 0.0000 | |
| 473 | C | A | 0.1642 | |
| 474 | L | A | 0.0000 | |
| 475 | L | A | 0.6356 | |
| 476 | A | A | 0.0000 | |
| 477 | L | A | 0.3459 | |
| 478 | S | A | -0.0263 | |
| 479 | P | A | -0.0643 | |
| 480 | A | A | -0.3231 | |
| 481 | A | A | -0.3528 | |
| 482 | G | A | -0.6627 | |
| 483 | P | A | -0.7002 | |
| 484 | S | A | -0.8665 | |
| 485 | D | A | -1.2505 | |
| 486 | L | A | 0.5509 | |
| 487 | T | A | 0.1716 | |
| 488 | A | A | -0.2306 | |
| 489 | T | A | -0.2241 | |
| 490 | R | A | -0.9135 | |
| 491 | L | A | 0.9754 | |
| 492 | L | A | 0.5898 | |
| 493 | G | A | 0.4915 | |
| 494 | C | A | 0.1454 | |
| 495 | A | A | -0.8768 | |
| 496 | H | A | -1.8477 | |
| 497 | F | A | 0.0000 | |
| 498 | S | A | -0.6338 | |
| 499 | T | A | 0.0000 | |
| 500 | L | A | 1.2065 | |
| 501 | P | A | 0.2876 | |
| 502 | A | A | 0.4183 | |
| 503 | T | A | 0.4207 | |
| 504 | P | A | 0.4790 | |
| 505 | L | A | 1.4984 | |
| 506 | C | A | 1.1705 | |
| 507 | H | A | 0.0516 | |
| 508 | A | A | 0.3651 | |
| 509 | L | A | 0.8755 | |
| 510 | Q | A | -0.1912 | |
| 511 | A | A | 0.3429 | |
| 512 | H | A | 0.2625 | |
| 513 | V | A | 2.0344 | |
| 514 | L | A | 2.1046 | |
| 515 | G | A | 1.2395 | |
| 516 | G | A | 1.1533 | |
| 517 | T | A | 1.9780 | |
| 518 | L | A | 2.8617 | |
| 519 | T | A | 2.1117 | |
| 520 | V | A | 2.7706 | |
| 521 | A | A | 2.5342 | |
| 522 | V | A | 3.4440 | |
| 523 | G | A | 2.6925 | |
| 524 | G | A | 2.5513 | |
| 525 | V | A | 3.9587 | |
| 526 | L | A | 4.4455 | |
| 527 | V | A | 4.4807 | |
| 528 | A | A | 3.8086 | |
| 529 | A | A | 4.1262 | |
| 530 | L | A | 5.0812 | |
| 531 | L | A | 5.2258 | |
| 532 | V | A | 5.2358 | |
| 533 | F | A | 5.2334 | |
| 534 | T | A | 4.0095 | |
| 535 | V | A | 4.5626 | |
| 536 | A | A | 3.3959 | |
| 537 | L | A | 2.6693 | |
| 538 | L | A | 2.4242 | |
| 539 | V | A | 1.6462 | |
| 540 | R | A | -0.9378 | |
| 541 | G | A | -0.9013 | |
| 542 | R | A | -1.9197 | |
| 543 | G | A | -1.5188 | |
| 544 | A | A | -1.5596 | |
| 545 | G | A | -1.5749 | |
| 546 | N | A | -2.1185 | |
| 547 | G | A | -1.7308 | |
| 548 | R | A | -1.6458 | |
| 549 | L | A | 0.7392 | |
| 550 | P | A | 0.6000 | |
| 551 | L | A | 1.2975 | |
| 552 | K | A | -0.2949 | |
| 553 | L | A | 0.7742 | |
| 554 | S | A | 0.0797 | |
| 555 | H | A | -0.1331 | |
| 556 | V | A | 0.6097 | |
| 557 | Q | A | -0.9163 | |
| 558 | S | A | -1.0500 | |
| 559 | Q | A | -1.8440 | |
| 560 | T | A | -1.4111 | |
| 561 | N | A | -1.9107 | |
| 562 | G | A | -1.4631 | |
| 563 | G | A | -1.0507 | |
| 564 | T | A | -0.5883 | |
| 565 | S | A | -0.2775 | |
| 566 | P | A | 0.0655 | |
| 567 | M | A | 0.3644 | |
| 568 | P | A | -0.5822 | |
| 569 | K | A | -1.9314 | |
| 570 | S | A | -1.7506 | |
| 571 | H | A | -1.6620 | |
| 572 | P | A | -1.2652 | |
| 573 | P | A | -1.5081 | |
| 574 | R | A | -2.1653 | |
| 575 | S | A | -1.3303 | |
| 576 | P | A | -0.8899 | |
| 577 | P | A | -0.9629 | |
| 578 | P | A | -1.3671 | |
| 579 | R | A | -2.6137 | |
| 580 | P | A | -2.2579 | |
| 581 | Q | A | -2.8154 | |
| 582 | R | A | -2.7049 | |
| 583 | S | A | -1.1804 | |
| 584 | C | A | 0.4685 | |
| 585 | S | A | 0.5043 | |
| 586 | L | A | 0.9109 | |
| 587 | D | A | -0.3264 | |
| 588 | L | A | 0.3754 | |
| 589 | G | A | -0.9613 | |
| 590 | D | A | -1.7641 | |
| 591 | T | A | -1.2786 | |
| 592 | G | A | -0.7907 | |
| 593 | G | A | -0.0723 | |
| 594 | C | A | 0.9247 | |
| 595 | Y | A | 1.5595 | |
| 596 | G | A | 0.7574 | |
| 597 | Y | A | 0.7074 | |
| 598 | A | A | -0.3636 | |
| 599 | R | A | -2.0871 | |
| 600 | R | A | -1.9874 | |
| 601 | L | A | -0.2116 | |
| 602 | G | A | -0.4990 | |
| 603 | G | A | -0.4507 | |
| 604 | A | A | -0.1467 | |
| 605 | W | A | 0.3419 | |
| 606 | A | A | -0.7528 | |
| 607 | R | A | -2.5998 | |
| 608 | R | A | -2.8706 | |
| 609 | S | A | -1.8161 | |
| 610 | H | A | -1.3663 | |
| 611 | S | A | -0.4556 | |
| 612 | V | A | 0.7316 | |
| 613 | H | A | -0.6274 | |
| 614 | G | A | -0.1772 | |
| 615 | G | A | 0.3873 | |
| 616 | L | A | 1.8452 | |
| 617 | L | A | 1.8730 | |
| 618 | G | A | 0.5929 | |
| 619 | A | A | 0.3118 | |
| 620 | G | A | -0.4494 | |
| 621 | C | A | -0.4603 | |
| 622 | R | A | -1.5742 | |
| 623 | G | A | -0.9056 | |
| 624 | M | A | 0.0883 | |
| 625 | G | A | -0.3172 | |
| 626 | G | A | -0.6211 | |
| 627 | S | A | -1.0978 | |
| 628 | A | A | -1.2635 | |
| 629 | E | A | -2.5509 | |
| 630 | R | A | -2.6994 | |
| 631 | L | A | -1.1969 | |
| 632 | E | A | -2.4771 | |
| 633 | E | A | -1.8722 | |
| 634 | S | A | -0.0969 | |
| 635 | V | A | 1.6432 | |
| 636 | V | A | 2.3344 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.0346 | 7.8779 | View | CSV | PDB |
| 4.5 | -0.0869 | 7.8779 | View | CSV | PDB |
| 5.0 | -0.1507 | 7.8779 | View | CSV | PDB |
| 5.5 | -0.2159 | 7.8779 | View | CSV | PDB |
| 6.0 | -0.2738 | 7.8779 | View | CSV | PDB |
| 6.5 | -0.3196 | 7.8779 | View | CSV | PDB |
| 7.0 | -0.3542 | 7.8779 | View | CSV | PDB |
| 7.5 | -0.3828 | 7.8779 | View | CSV | PDB |
| 8.0 | -0.4085 | 7.8779 | View | CSV | PDB |
| 8.5 | -0.4302 | 7.8779 | View | CSV | PDB |
| 9.0 | -0.4445 | 7.8779 | View | CSV | PDB |
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