| Chain sequence(s) | MWTGGRRPGRLRRAASAADMEKLSALQEQKGELRKRLSYTTHKLEKLETEFDSTRHYLEIELRRAQEELDKVTEKLRRIQSNYMALQRINQELEDKLYRMGQHYEEEKRAMSHEIVALNSHLLEAKVTIDKLSEDNELYRKDCNLAAQLLQCSQTYGRVHKVSELPSDFQQRVSLHMEKHGCSLPSPLCHPSYADSVPTCVIAKVLEKPDPGSLSSRMSDASARDLAYRDGVENPGPRPPYKGDIYCSDTALYCPDERDHDRRPSVDTPVTDVGFLRAQNSTDSLAEEEEAEAAAFPEAYRREAFQGYAASLPTSSSYSSFSATSEEKEHAQASTLTASQQAIYLNSREELFSRKPPSATYGSSPRYAKAAATLGSPLEAQVAPGFARTVSPYPAEPYRYPASQQALMPPNLWSLRAKPSGNRLAAREDIRGQWRPLSVEDVGAYSYQAGAAGRAASPCNFSERFYGGGGGGGSPGKNAEGRASPLYASYKADSFSEGDDLSQGHLAEPCFLRAGGDLSLSPSRSADPLPGYATSDGDGDRLGVQLCGPGSSPEPEHGSRDSLEPSSMEASPEMHPPTRLSPQQAFPRTGGSGLSRKDSLTKAQLYGTLLN 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] (00:00:01)
[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] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/938088fdfed1bc/tmp/folded.pdb (00:08:39)
[INFO] Main: Simulation completed successfully. (00:18:54)
|
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 | 1.6718 | |
| 2 | W | A | 1.6017 | |
| 3 | T | A | 0.4287 | |
| 4 | G | A | -0.7316 | |
| 5 | G | A | -1.9014 | |
| 6 | R | A | -3.1634 | |
| 7 | R | A | -3.2866 | |
| 8 | P | A | -2.1819 | |
| 9 | G | A | -1.7938 | |
| 10 | R | A | -2.0325 | |
| 11 | L | A | -0.7453 | |
| 12 | R | A | -2.4169 | |
| 13 | R | A | -2.3647 | |
| 14 | A | A | -1.1516 | |
| 15 | A | A | -0.6377 | |
| 16 | S | A | -0.6041 | |
| 17 | A | A | -0.4744 | |
| 18 | A | A | -0.8966 | |
| 19 | D | A | -1.1097 | |
| 20 | M | A | -0.3197 | |
| 21 | E | A | -1.9109 | |
| 22 | K | A | -1.6730 | |
| 23 | L | A | -0.2107 | |
| 24 | S | A | -1.3608 | |
| 25 | A | A | -1.4581 | |
| 26 | L | A | -0.8698 | |
| 27 | Q | A | -2.6382 | |
| 28 | E | A | -3.6324 | |
| 29 | Q | A | -3.3574 | |
| 30 | K | A | -4.0960 | |
| 31 | G | A | -3.8628 | |
| 32 | E | A | -4.1641 | |
| 33 | L | A | -2.8070 | |
| 34 | R | A | -3.4652 | |
| 35 | K | A | -3.0687 | |
| 36 | R | A | -2.3173 | |
| 37 | L | A | -0.4672 | |
| 38 | S | A | -0.7828 | |
| 39 | Y | A | -0.2299 | |
| 40 | T | A | -0.7931 | |
| 41 | T | A | -0.8745 | |
| 42 | H | A | -1.7840 | |
| 43 | K | A | -2.1918 | |
| 44 | L | A | -1.7064 | |
| 45 | E | A | -3.2292 | |
| 46 | K | A | -3.3911 | |
| 47 | L | A | -2.1891 | |
| 48 | E | A | -3.0026 | |
| 49 | T | A | -2.4155 | |
| 50 | E | A | -2.4935 | |
| 51 | F | A | -0.7533 | |
| 52 | D | A | -1.7479 | |
| 53 | S | A | -1.1788 | |
| 54 | T | A | -0.5104 | |
| 55 | R | A | -0.9428 | |
| 56 | H | A | -0.3804 | |
| 57 | Y | A | 1.2781 | |
| 58 | L | A | 0.7732 | |
| 59 | E | A | 0.1731 | |
| 60 | I | A | 0.6711 | |
| 61 | E | A | -0.4673 | |
| 62 | L | A | 0.1083 | |
| 63 | R | A | -1.9805 | |
| 64 | R | A | -2.0197 | |
| 65 | A | A | -1.5295 | |
| 66 | Q | A | -2.6136 | |
| 67 | E | A | -3.4018 | |
| 68 | E | A | -2.1540 | |
| 69 | L | A | -1.1727 | |
| 70 | D | A | -2.7413 | |
| 71 | K | A | -2.7184 | |
| 72 | V | A | -1.2900 | |
| 73 | T | A | -1.4714 | |
| 74 | E | A | -2.4859 | |
| 75 | K | A | -2.5118 | |
| 76 | L | A | -1.1353 | |
| 77 | R | A | -2.8111 | |
| 78 | R | A | -2.7233 | |
| 79 | I | A | -0.7840 | |
| 80 | Q | A | -1.1754 | |
| 81 | S | A | -0.9569 | |
| 82 | N | A | -0.6471 | |
| 83 | Y | A | 0.7140 | |
| 84 | M | A | 0.5846 | |
| 85 | A | A | 0.2900 | |
| 86 | L | A | 0.1655 | |
| 87 | Q | A | -1.3475 | |
| 88 | R | A | -2.0732 | |
| 89 | I | A | -0.1945 | |
| 90 | N | A | -2.3220 | |
| 91 | Q | A | -3.1914 | |
| 92 | E | A | -2.8828 | |
| 93 | L | A | -1.5374 | |
| 94 | E | A | -2.0478 | |
| 95 | D | A | -2.3396 | |
| 96 | K | A | -2.5350 | |
| 97 | L | A | -0.4661 | |
| 98 | Y | A | -0.5079 | |
| 99 | R | A | -2.1389 | |
| 100 | M | A | -1.2131 | |
| 101 | G | A | -1.1005 | |
| 102 | Q | A | -2.7698 | |
| 103 | H | A | -2.7740 | |
| 104 | Y | A | -2.1677 | |
| 105 | E | A | -3.7820 | |
| 106 | E | A | -4.4852 | |
| 107 | E | A | -4.2635 | |
| 108 | K | A | -4.4050 | |
| 109 | R | A | -4.2162 | |
| 110 | A | A | -2.7727 | |
| 111 | M | A | -1.5632 | |
| 112 | S | A | -1.4233 | |
| 113 | H | A | -1.3730 | |
| 114 | E | A | -0.9114 | |
| 115 | I | A | 1.3145 | |
| 116 | V | A | 1.5958 | |
| 117 | A | A | 0.7156 | |
| 118 | L | A | 0.9122 | |
| 119 | N | A | 0.2746 | |
| 120 | S | A | -0.0783 | |
| 121 | H | A | -0.5272 | |
| 122 | L | A | 0.5821 | |
| 123 | L | A | 0.6844 | |
| 124 | E | A | -1.1192 | |
| 125 | A | A | -0.6535 | |
| 126 | K | A | -0.8016 | |
| 127 | V | A | 0.1463 | |
| 128 | T | A | -0.1120 | |
| 129 | I | A | 0.1097 | |
| 130 | D | A | -2.1786 | |
| 131 | K | A | -2.5736 | |
| 132 | L | A | -1.0968 | |
| 133 | S | A | -2.0918 | |
| 134 | E | A | -3.2582 | |
| 135 | D | A | -2.9647 | |
| 136 | N | A | -2.3523 | |
| 137 | E | A | -3.0896 | |
| 138 | L | A | -1.4394 | |
| 139 | Y | A | -1.6516 | |
| 140 | R | A | -2.5408 | |
| 141 | K | A | -3.0702 | |
| 142 | D | A | -2.6446 | |
| 143 | C | A | -1.6387 | |
| 144 | N | A | -1.9702 | |
| 145 | L | A | -1.3685 | |
| 146 | A | A | -0.6386 | |
| 147 | A | A | -0.5510 | |
| 148 | Q | A | -0.7972 | |
| 149 | L | A | 0.2679 | |
| 150 | L | A | 0.5809 | |
| 151 | Q | A | -0.9261 | |
| 152 | C | A | -0.6032 | |
| 153 | S | A | -0.4244 | |
| 154 | Q | A | -1.1246 | |
| 155 | T | A | -0.4707 | |
| 156 | Y | A | 0.4196 | |
| 157 | G | A | -0.5216 | |
| 158 | R | A | -1.1934 | |
| 159 | V | A | 0.5407 | |
| 160 | H | A | -0.7831 | |
| 161 | K | A | -1.3216 | |
| 162 | V | A | -0.9394 | |
| 163 | S | A | -1.0796 | |
| 164 | E | A | -0.9803 | |
| 165 | L | A | -1.0074 | |
| 166 | P | A | -1.0462 | |
| 167 | S | A | -1.8806 | |
| 168 | D | A | -2.7690 | |
| 169 | F | A | 0.0000 | |
| 170 | Q | A | -2.2076 | |
| 171 | Q | A | -2.6296 | |
| 172 | R | A | -2.8938 | |
| 173 | V | A | 0.0000 | |
| 174 | S | A | -1.4476 | |
| 175 | L | A | -1.5605 | |
| 176 | H | A | -1.9767 | |
| 177 | M | A | -1.4937 | |
| 178 | E | A | -2.7640 | |
| 179 | K | A | -2.8084 | |
| 180 | H | A | -2.0295 | |
| 181 | G | A | -1.2723 | |
| 182 | C | A | 0.2310 | |
| 183 | S | A | 0.4733 | |
| 184 | L | A | 1.3097 | |
| 185 | P | A | 0.5653 | |
| 186 | S | A | 0.3746 | |
| 187 | P | A | 0.5411 | |
| 188 | L | A | 1.4780 | |
| 189 | C | A | 1.1021 | |
| 190 | H | A | -0.1402 | |
| 191 | P | A | -0.3872 | |
| 192 | S | A | -0.1213 | |
| 193 | Y | A | 0.7371 | |
| 194 | A | A | -0.1978 | |
| 195 | D | A | -1.0197 | |
| 196 | S | A | -0.2388 | |
| 197 | V | A | 0.0000 | |
| 198 | P | A | -0.0934 | |
| 199 | T | A | 0.1129 | |
| 200 | C | A | 0.4277 | |
| 201 | V | A | -0.0770 | |
| 202 | I | A | -0.1056 | |
| 203 | A | A | -0.6462 | |
| 204 | K | A | -2.1487 | |
| 205 | V | A | -1.2152 | |
| 206 | L | A | -0.9766 | |
| 207 | E | A | -3.0307 | |
| 208 | K | A | -3.2106 | |
| 209 | P | A | -2.5080 | |
| 210 | D | A | -2.7494 | |
| 211 | P | A | -1.4344 | |
| 212 | G | A | -0.9127 | |
| 213 | S | A | -0.2920 | |
| 214 | L | A | 0.8959 | |
| 215 | S | A | 0.0681 | |
| 216 | S | A | -0.6467 | |
| 217 | R | A | -1.6610 | |
| 218 | M | A | -0.6401 | |
| 219 | S | A | -1.1860 | |
| 220 | D | A | -1.8833 | |
| 221 | A | A | -0.9477 | |
| 222 | S | A | -0.9161 | |
| 223 | A | A | -1.3093 | |
| 224 | R | A | -2.4829 | |
| 225 | D | A | -1.9702 | |
| 226 | L | A | 0.4676 | |
| 227 | A | A | 0.2617 | |
| 228 | Y | A | 0.3567 | |
| 229 | R | A | -2.0090 | |
| 230 | D | A | -2.2523 | |
| 231 | G | A | -1.1563 | |
| 232 | V | A | -0.1871 | |
| 233 | E | A | -1.7508 | |
| 234 | N | A | -2.0522 | |
| 235 | P | A | -1.5515 | |
| 236 | G | A | -1.3678 | |
| 237 | P | A | -1.4947 | |
| 238 | R | A | -2.0775 | |
| 239 | P | A | -1.3223 | |
| 240 | P | A | -0.7033 | |
| 241 | Y | A | 0.0241 | |
| 242 | K | A | -1.5460 | |
| 243 | G | A | -1.1571 | |
| 244 | D | A | -0.8965 | |
| 245 | I | A | 1.5353 | |
| 246 | Y | A | 1.8521 | |
| 247 | C | A | 1.1237 | |
| 248 | S | A | 0.0540 | |
| 249 | D | A | -1.3654 | |
| 250 | T | A | -0.2024 | |
| 251 | A | A | 0.6578 | |
| 252 | L | A | 2.1687 | |
| 253 | Y | A | 2.1739 | |
| 254 | C | A | 0.9585 | |
| 255 | P | A | -0.7300 | |
| 256 | D | A | -3.0696 | |
| 257 | E | A | -4.0161 | |
| 258 | R | A | -4.2643 | |
| 259 | D | A | -4.4341 | |
| 260 | H | A | -3.9288 | |
| 261 | D | A | -4.0361 | |
| 262 | R | A | -4.2246 | |
| 263 | R | A | -3.5404 | |
| 264 | P | A | -1.3037 | |
| 265 | S | A | -0.2076 | |
| 266 | V | A | 0.7471 | |
| 267 | D | A | -1.0828 | |
| 268 | T | A | -0.3426 | |
| 269 | P | A | 0.1420 | |
| 270 | V | A | 1.2047 | |
| 271 | T | A | 0.3758 | |
| 272 | D | A | -0.6858 | |
| 273 | V | A | 1.0538 | |
| 274 | G | A | 1.2460 | |
| 275 | F | A | 2.5059 | |
| 276 | L | A | 1.6104 | |
| 277 | R | A | -0.9104 | |
| 278 | A | A | -1.5112 | |
| 279 | Q | A | -2.2591 | |
| 280 | N | A | -2.2000 | |
| 281 | S | A | -1.7536 | |
| 282 | T | A | -1.4095 | |
| 283 | D | A | -1.7292 | |
| 284 | S | A | -0.7146 | |
| 285 | L | A | 0.0056 | |
| 286 | A | A | -1.6060 | |
| 287 | E | A | -2.9660 | |
| 288 | E | A | -3.9215 | |
| 289 | E | A | -4.7036 | |
| 290 | E | A | -4.1477 | |
| 291 | A | A | -2.9016 | |
| 292 | E | A | -2.6633 | |
| 293 | A | A | -1.0277 | |
| 294 | A | A | 0.2919 | |
| 295 | A | A | 0.7760 | |
| 296 | F | A | 1.4310 | |
| 297 | P | A | 0.1890 | |
| 298 | E | A | -1.3130 | |
| 299 | A | A | -0.5499 | |
| 300 | Y | A | -0.8512 | |
| 301 | R | A | -2.7768 | |
| 302 | R | A | -3.1654 | |
| 303 | E | A | -2.4866 | |
| 304 | A | A | -0.6502 | |
| 305 | F | A | 0.4171 | |
| 306 | Q | A | -0.6561 | |
| 307 | G | A | -0.1816 | |
| 308 | Y | A | 0.8179 | |
| 309 | A | A | 0.7992 | |
| 310 | A | A | 0.5851 | |
| 311 | S | A | 0.6628 | |
| 312 | L | A | 1.2798 | |
| 313 | P | A | 0.5053 | |
| 314 | T | A | -0.0412 | |
| 315 | S | A | -0.2981 | |
| 316 | S | A | -0.1636 | |
| 317 | S | A | 0.1995 | |
| 318 | Y | A | 1.0102 | |
| 319 | S | A | 0.6232 | |
| 320 | S | A | 0.8834 | |
| 321 | F | A | 1.7007 | |
| 322 | S | A | 0.7309 | |
| 323 | A | A | 0.0501 | |
| 324 | T | A | -0.5888 | |
| 325 | S | A | -1.5329 | |
| 326 | E | A | -3.2339 | |
| 327 | E | A | -4.0105 | |
| 328 | K | A | -4.1825 | |
| 329 | E | A | -3.5343 | |
| 330 | H | A | -2.4382 | |
| 331 | A | A | -1.4770 | |
| 332 | Q | A | -1.4195 | |
| 333 | A | A | -0.4977 | |
| 334 | S | A | -0.2234 | |
| 335 | T | A | 0.1969 | |
| 336 | L | A | 0.7220 | |
| 337 | T | A | 0.0870 | |
| 338 | A | A | 0.1908 | |
| 339 | S | A | 0.2810 | |
| 340 | Q | A | 0.4317 | |
| 341 | Q | A | 0.3537 | |
| 342 | A | A | 0.6564 | |
| 343 | I | A | 1.5569 | |
| 344 | Y | A | 0.9897 | |
| 345 | L | A | -0.2657 | |
| 346 | N | A | -1.5912 | |
| 347 | S | A | -1.3645 | |
| 348 | R | A | -2.2488 | |
| 349 | E | A | -2.9502 | |
| 350 | E | A | -2.5640 | |
| 351 | L | A | -0.0223 | |
| 352 | F | A | 0.3596 | |
| 353 | S | A | -1.5535 | |
| 354 | R | A | -2.5738 | |
| 355 | K | A | -2.5568 | |
| 356 | P | A | -1.7318 | |
| 357 | P | A | -1.0731 | |
| 358 | S | A | -0.4725 | |
| 359 | A | A | 0.0460 | |
| 360 | T | A | 0.4309 | |
| 361 | Y | A | 0.9705 | |
| 362 | G | A | 0.0094 | |
| 363 | S | A | -0.2673 | |
| 364 | S | A | -0.7437 | |
| 365 | P | A | -1.0418 | |
| 366 | R | A | -1.3556 | |
| 367 | Y | A | 0.0199 | |
| 368 | A | A | -0.4923 | |
| 369 | K | A | -1.2626 | |
| 370 | A | A | -1.2252 | |
| 371 | A | A | -1.1133 | |
| 372 | A | A | 0.1205 | |
| 373 | T | A | 0.5399 | |
| 374 | L | A | 1.2289 | |
| 375 | G | A | 0.2769 | |
| 376 | S | A | -0.0708 | |
| 377 | P | A | 0.0621 | |
| 378 | L | A | 0.4372 | |
| 379 | E | A | -1.3779 | |
| 380 | A | A | -0.7430 | |
| 381 | Q | A | -0.6861 | |
| 382 | V | A | 1.1629 | |
| 383 | A | A | 0.7022 | |
| 384 | P | A | 0.3673 | |
| 385 | G | A | 0.3733 | |
| 386 | F | A | 1.2894 | |
| 387 | A | A | 0.1343 | |
| 388 | R | A | -1.0210 | |
| 389 | T | A | 0.0252 | |
| 390 | V | A | 1.2661 | |
| 391 | S | A | 0.6022 | |
| 392 | P | A | 0.6567 | |
| 393 | Y | A | 1.0084 | |
| 394 | P | A | -0.1242 | |
| 395 | A | A | -0.4939 | |
| 396 | E | A | -1.7104 | |
| 397 | P | A | -0.8105 | |
| 398 | Y | A | 0.1854 | |
| 399 | R | A | -0.8828 | |
| 400 | Y | A | 0.5952 | |
| 401 | P | A | -0.1041 | |
| 402 | A | A | -0.3863 | |
| 403 | S | A | -0.9653 | |
| 404 | Q | A | -1.6970 | |
| 405 | Q | A | -1.3054 | |
| 406 | A | A | 0.1170 | |
| 407 | L | A | 1.5706 | |
| 408 | M | A | 1.5064 | |
| 409 | P | A | 0.4313 | |
| 410 | P | A | -0.1509 | |
| 411 | N | A | -0.4006 | |
| 412 | L | A | 1.5715 | |
| 413 | W | A | 1.7775 | |
| 414 | S | A | 1.0015 | |
| 415 | L | A | 0.8560 | |
| 416 | R | A | -1.4625 | |
| 417 | A | A | -1.4415 | |
| 418 | K | A | -2.0533 | |
| 419 | P | A | -1.2430 | |
| 420 | S | A | -1.1683 | |
| 421 | G | A | -1.6119 | |
| 422 | N | A | -2.1326 | |
| 423 | R | A | -1.7518 | |
| 424 | L | A | 0.3924 | |
| 425 | A | A | -0.1791 | |
| 426 | A | A | -1.2177 | |
| 427 | R | A | -3.1230 | |
| 428 | E | A | -3.3662 | |
| 429 | D | A | -2.6882 | |
| 430 | I | A | -0.4015 | |
| 431 | R | A | -2.0152 | |
| 432 | G | A | -1.6001 | |
| 433 | Q | A | -1.5596 | |
| 434 | W | A | -0.4722 | |
| 435 | R | A | -1.3594 | |
| 436 | P | A | 0.0295 | |
| 437 | L | A | 0.9397 | |
| 438 | S | A | 0.2995 | |
| 439 | V | A | 0.9801 | |
| 440 | E | A | -1.2098 | |
| 441 | D | A | -1.1065 | |
| 442 | V | A | 0.9775 | |
| 443 | G | A | -0.0409 | |
| 444 | A | A | 0.4111 | |
| 445 | Y | A | 1.5454 | |
| 446 | S | A | 0.7212 | |
| 447 | Y | A | 0.9002 | |
| 448 | Q | A | -0.5581 | |
| 449 | A | A | -0.4412 | |
| 450 | G | A | -0.5474 | |
| 451 | A | A | -0.5952 | |
| 452 | A | A | -0.6617 | |
| 453 | G | A | -1.2848 | |
| 454 | R | A | -2.0047 | |
| 455 | A | A | -0.9613 | |
| 456 | A | A | -0.4219 | |
| 457 | S | A | -0.2814 | |
| 458 | P | A | -0.2809 | |
| 459 | C | A | 0.3003 | |
| 460 | N | A | -0.0587 | |
| 461 | F | A | 1.0437 | |
| 462 | S | A | -0.7051 | |
| 463 | E | A | -2.0468 | |
| 464 | R | A | -1.4831 | |
| 465 | F | A | 1.1162 | |
| 466 | Y | A | 1.4772 | |
| 467 | G | A | 0.2581 | |
| 468 | G | A | -0.5413 | |
| 469 | G | A | -1.1076 | |
| 470 | G | A | -1.1192 | |
| 471 | G | A | -1.1119 | |
| 472 | G | A | -1.1060 | |
| 473 | G | A | -0.9929 | |
| 474 | S | A | -0.7688 | |
| 475 | P | A | -1.0470 | |
| 476 | G | A | -1.8424 | |
| 477 | K | A | -2.5977 | |
| 478 | N | A | -2.4914 | |
| 479 | A | A | -1.9326 | |
| 480 | E | A | -2.6891 | |
| 481 | G | A | -2.3346 | |
| 482 | R | A | -2.4511 | |
| 483 | A | A | -1.0676 | |
| 484 | S | A | -0.3116 | |
| 485 | P | A | 0.6552 | |
| 486 | L | A | 2.0316 | |
| 487 | Y | A | 2.0059 | |
| 488 | A | A | 1.1539 | |
| 489 | S | A | 0.3382 | |
| 490 | Y | A | 0.4191 | |
| 491 | K | A | -1.4694 | |
| 492 | A | A | -1.4811 | |
| 493 | D | A | -1.7977 | |
| 494 | S | A | 0.0317 | |
| 495 | F | A | 1.6600 | |
| 496 | S | A | 0.2657 | |
| 497 | E | A | -1.8274 | |
| 498 | G | A | -2.8133 | |
| 499 | D | A | -3.0809 | |
| 500 | D | A | -2.3943 | |
| 501 | L | A | -0.0762 | |
| 502 | S | A | -0.4984 | |
| 503 | Q | A | -1.4348 | |
| 504 | G | A | -1.0780 | |
| 505 | H | A | -0.7390 | |
| 506 | L | A | 0.6523 | |
| 507 | A | A | -0.2217 | |
| 508 | E | A | -1.2157 | |
| 509 | P | A | -0.2854 | |
| 510 | C | A | 1.4082 | |
| 511 | F | A | 2.5005 | |
| 512 | L | A | 1.6542 | |
| 513 | R | A | -0.7469 | |
| 514 | A | A | -1.0962 | |
| 515 | G | A | -1.3654 | |
| 516 | G | A | -1.4166 | |
| 517 | D | A | -1.4738 | |
| 518 | L | A | 0.8391 | |
| 519 | S | A | 0.8018 | |
| 520 | L | A | 1.6045 | |
| 521 | S | A | 0.3153 | |
| 522 | P | A | -0.5051 | |
| 523 | S | A | -1.1953 | |
| 524 | R | A | -2.0969 | |
| 525 | S | A | -1.5352 | |
| 526 | A | A | -1.4921 | |
| 527 | D | A | -1.6163 | |
| 528 | P | A | -0.4533 | |
| 529 | L | A | 0.8274 | |
| 530 | P | A | 0.4617 | |
| 531 | G | A | 0.3894 | |
| 532 | Y | A | 1.0496 | |
| 533 | A | A | 0.5457 | |
| 534 | T | A | -0.2311 | |
| 535 | S | A | -1.2016 | |
| 536 | D | A | -2.5398 | |
| 537 | G | A | -2.4464 | |
| 538 | D | A | -3.0630 | |
| 539 | G | A | -2.6602 | |
| 540 | D | A | -2.9918 | |
| 541 | R | A | -2.1252 | |
| 542 | L | A | 0.3901 | |
| 543 | G | A | 0.5965 | |
| 544 | V | A | 1.5786 | |
| 545 | Q | A | 0.4699 | |
| 546 | L | A | 1.5478 | |
| 547 | C | A | 0.9214 | |
| 548 | G | A | 0.0313 | |
| 549 | P | A | -0.4708 | |
| 550 | G | A | -0.7942 | |
| 551 | S | A | -0.7069 | |
| 552 | S | A | -0.8797 | |
| 553 | P | A | -1.3336 | |
| 554 | E | A | -2.5705 | |
| 555 | P | A | -2.5241 | |
| 556 | E | A | -2.9630 | |
| 557 | H | A | -2.1991 | |
| 558 | G | A | -1.9005 | |
| 559 | S | A | -2.0381 | |
| 560 | R | A | -2.9483 | |
| 561 | D | A | -2.4884 | |
| 562 | S | A | -1.1850 | |
| 563 | L | A | 0.1055 | |
| 564 | E | A | -1.2955 | |
| 565 | P | A | -1.0651 | |
| 566 | S | A | -0.6689 | |
| 567 | S | A | -0.2534 | |
| 568 | M | A | -0.1289 | |
| 569 | E | A | -1.2774 | |
| 570 | A | A | -0.7639 | |
| 571 | S | A | -1.0372 | |
| 572 | P | A | -1.0874 | |
| 573 | E | A | -1.6767 | |
| 574 | M | A | -0.4350 | |
| 575 | H | A | -1.0804 | |
| 576 | P | A | -0.7126 | |
| 577 | P | A | -1.0917 | |
| 578 | T | A | -0.8466 | |
| 579 | R | A | -1.2027 | |
| 580 | L | A | 0.3026 | |
| 581 | S | A | -0.1836 | |
| 582 | P | A | -0.8086 | |
| 583 | Q | A | -1.5436 | |
| 584 | Q | A | -1.3153 | |
| 585 | A | A | -0.2460 | |
| 586 | F | A | 0.9306 | |
| 587 | P | A | -0.4464 | |
| 588 | R | A | -1.7232 | |
| 589 | T | A | -1.0816 | |
| 590 | G | A | -1.2540 | |
| 591 | G | A | -1.2461 | |
| 592 | S | A | -0.9336 | |
| 593 | G | A | -0.7254 | |
| 594 | L | A | -0.6670 | |
| 595 | S | A | -1.6439 | |
| 596 | R | A | -2.8791 | |
| 597 | K | A | -2.9906 | |
| 598 | D | A | -2.5204 | |
| 599 | S | A | -1.6790 | |
| 600 | L | A | -1.1992 | |
| 601 | T | A | -1.0974 | |
| 602 | K | A | -0.8812 | |
| 603 | A | A | -0.0427 | |
| 604 | Q | A | -0.1258 | |
| 605 | L | A | 1.2732 | |
| 606 | Y | A | 1.3368 | |
| 607 | G | A | 0.5706 | |
| 608 | T | A | 0.6378 | |
| 609 | L | A | 1.0623 | |
| 610 | L | A | 1.0644 | |
| 611 | N | A | -0.3363 |
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 | -0.4455 | 5.8233 | View | CSV | PDB |
| 4.5 | -0.5538 | 5.7619 | View | CSV | PDB |
| 5.0 | -0.6933 | 5.6738 | View | CSV | PDB |
| 5.5 | -0.8382 | 5.5735 | View | CSV | PDB |
| 6.0 | -0.9636 | 5.4768 | View | CSV | PDB |
| 6.5 | -1.052 | 5.3994 | View | CSV | PDB |
| 7.0 | -1.0984 | 5.3521 | View | CSV | PDB |
| 7.5 | -1.1132 | 5.3305 | View | CSV | PDB |
| 8.0 | -1.1107 | 5.3226 | View | CSV | PDB |
| 8.5 | -1.0968 | 5.3199 | View | CSV | PDB |
| 9.0 | -1.0703 | 5.3191 | 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