| Chain sequence(s) | MLNKMTLHPQQIMIGPRFNRALFDPLLVVLLALQLLVVAGLVRAQTCPSVCSCSNQFSKVICVRKNLREVPDGISTNTRLLNLHENQIQIIKVNSFKHLRHLEILQLSRNHIRTIEIGAFNGLANLNTLELFDNRLTTIPNGAFVYLSKLKELWLRNNPIESIPSYAFNRIPSLRRLDLGELKRLSYISEGAFEGLSNLRYLNLAMCNLREIPNLTPLIKLDELDLSGNHLSAIRPGSFQGLMHLQKLWMIQSQIQVIERNAFDNLQSLVEINLAHNNLTLLPHDLFTPLHHLERIHLHHNPWNCNCDILWLSWWIRDMAPSNTACCARCNTPPNLKGRYIGELDQNYFTCYAPVIVEPPADLNVTEGMAAELKCRASTSLTSVSWITPNGTVMTHGAYKVRIAVLSDGTLNFTNVTVQDTGMYTCMVSNSVGNTTASATLNVTAATTTPFSYFSTVTVETMEPSQDEARTTDNNVGPTPVIDWETTNVTTSLTPQSTRSTEKTFTIPVTDINSGIPGIDEVMKTTKIIIGCFVAITLMAAVMLVIFYKMRKQHHRQNHHAPTRTVEIINVDDEITGDTPMESHLPMPAIEHEHLNHYNSYKSPFNHTTTVNTINSIHSSVHEPLLIRMNSKDNVQETQI 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 (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e211c1dc725a30/tmp/folded.pdb (00:14:54)
[INFO] Main: Simulation completed successfully. (00:25:30)
|
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 | 1.6184 | |
| 2 | L | A | 1.1759 | |
| 3 | N | A | -0.8794 | |
| 4 | K | A | -1.4258 | |
| 5 | M | A | 0.0654 | |
| 6 | T | A | 0.5802 | |
| 7 | L | A | 1.1219 | |
| 8 | H | A | -0.4898 | |
| 9 | P | A | -1.2128 | |
| 10 | Q | A | -1.6494 | |
| 11 | Q | A | -0.6336 | |
| 12 | I | A | 2.0070 | |
| 13 | M | A | 2.7140 | |
| 14 | I | A | 2.6793 | |
| 15 | G | A | 0.4648 | |
| 16 | P | A | -0.5277 | |
| 17 | R | A | -1.5629 | |
| 18 | F | A | 0.0043 | |
| 19 | N | A | -1.1340 | |
| 20 | R | A | -1.5933 | |
| 21 | A | A | -0.0255 | |
| 22 | L | A | 1.7244 | |
| 23 | F | A | 2.0334 | |
| 24 | D | A | 0.9041 | |
| 25 | P | A | 2.1019 | |
| 26 | L | A | 3.5112 | |
| 27 | L | A | 4.4732 | |
| 28 | V | A | 4.7621 | |
| 29 | V | A | 4.6169 | |
| 30 | L | A | 4.9369 | |
| 31 | L | A | 4.7617 | |
| 32 | A | A | 4.2703 | |
| 33 | L | A | 4.4477 | |
| 34 | Q | A | 3.0572 | |
| 35 | L | A | 4.1413 | |
| 36 | L | A | 4.4495 | |
| 37 | V | A | 4.3644 | |
| 38 | V | A | 3.8761 | |
| 39 | A | A | 2.8560 | |
| 40 | G | A | 2.1491 | |
| 41 | L | A | 3.0534 | |
| 42 | V | A | 2.1780 | |
| 43 | R | A | -0.6863 | |
| 44 | A | A | -0.6672 | |
| 45 | Q | A | -1.6099 | |
| 46 | T | A | -1.1031 | |
| 47 | C | A | -0.0814 | |
| 48 | P | A | 0.0000 | |
| 49 | S | A | -0.0805 | |
| 50 | V | A | 0.3305 | |
| 51 | C | A | 0.1505 | |
| 52 | S | A | 0.0286 | |
| 53 | C | A | -0.3543 | |
| 54 | S | A | -1.0913 | |
| 55 | N | A | -1.9192 | |
| 56 | Q | A | -2.1714 | |
| 57 | F | A | -1.6220 | |
| 58 | S | A | -1.9418 | |
| 59 | K | A | -1.6902 | |
| 60 | V | A | 0.0000 | |
| 61 | I | A | 0.1551 | |
| 62 | C | A | 0.0000 | |
| 63 | V | A | -1.0379 | |
| 64 | R | A | -2.6905 | |
| 65 | K | A | -2.4124 | |
| 66 | N | A | -2.8547 | |
| 67 | L | A | -2.3709 | |
| 68 | R | A | -3.0012 | |
| 69 | E | A | -2.5606 | |
| 70 | V | A | -1.3515 | |
| 71 | P | A | -1.2573 | |
| 72 | D | A | -1.9734 | |
| 73 | G | A | -1.1219 | |
| 74 | I | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | T | A | -1.6672 | |
| 77 | N | A | -2.3837 | |
| 78 | T | A | 0.0000 | |
| 79 | R | A | -2.5531 | |
| 80 | L | A | -1.0423 | |
| 81 | L | A | 0.0000 | |
| 82 | N | A | -0.0858 | |
| 83 | L | A | 0.0000 | |
| 84 | H | A | -1.2981 | |
| 85 | E | A | -2.0262 | |
| 86 | N | A | 0.0000 | |
| 87 | Q | A | -2.5332 | |
| 88 | I | A | 0.0000 | |
| 89 | Q | A | -2.1312 | |
| 90 | I | A | -1.1040 | |
| 91 | I | A | 0.0000 | |
| 92 | K | A | -0.5667 | |
| 93 | V | A | 0.4196 | |
| 94 | N | A | -1.1935 | |
| 95 | S | A | -1.4094 | |
| 96 | F | A | 0.0000 | |
| 97 | K | A | -2.4689 | |
| 98 | H | A | -1.9449 | |
| 99 | L | A | 0.0000 | |
| 100 | R | A | -2.7804 | |
| 101 | H | A | -2.4159 | |
| 102 | L | A | 0.0000 | |
| 103 | E | A | -1.5068 | |
| 104 | I | A | -0.5377 | |
| 105 | L | A | 0.0000 | |
| 106 | Q | A | -0.2636 | |
| 107 | L | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | R | A | -2.1272 | |
| 110 | N | A | 0.0000 | |
| 111 | H | A | -2.3890 | |
| 112 | I | A | 0.0000 | |
| 113 | R | A | -2.7737 | |
| 114 | T | A | -1.2859 | |
| 115 | I | A | 0.0000 | |
| 116 | E | A | 0.5859 | |
| 117 | I | A | 1.8040 | |
| 118 | G | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | N | A | -0.7362 | |
| 122 | G | A | -1.6367 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | -1.2438 | |
| 125 | N | A | -1.7937 | |
| 126 | L | A | 0.0000 | |
| 127 | N | A | -1.2772 | |
| 128 | T | A | -0.7071 | |
| 129 | L | A | 0.0000 | |
| 130 | E | A | -0.4199 | |
| 131 | L | A | 0.0000 | |
| 132 | F | A | -0.9380 | |
| 133 | D | A | -1.5758 | |
| 134 | N | A | 0.0000 | |
| 135 | R | A | -3.0925 | |
| 136 | L | A | 0.0000 | |
| 137 | T | A | -1.7328 | |
| 138 | T | A | -1.0606 | |
| 139 | I | A | 0.0000 | |
| 140 | P | A | 0.1131 | |
| 141 | N | A | -0.2346 | |
| 142 | G | A | 0.3835 | |
| 143 | A | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | V | A | 0.4500 | |
| 146 | Y | A | 0.7172 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | -0.9178 | |
| 149 | K | A | -1.7941 | |
| 150 | L | A | 0.0000 | |
| 151 | K | A | -2.1892 | |
| 152 | E | A | -1.3502 | |
| 153 | L | A | 0.0000 | |
| 154 | W | A | -0.3429 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -0.9241 | |
| 157 | N | A | -1.6859 | |
| 158 | N | A | 0.0000 | |
| 159 | P | A | -2.3726 | |
| 160 | I | A | 0.0000 | |
| 161 | E | A | -2.3028 | |
| 162 | S | A | -0.7678 | |
| 163 | I | A | 0.0000 | |
| 164 | P | A | -0.1525 | |
| 165 | S | A | -0.2337 | |
| 166 | Y | A | 0.1375 | |
| 167 | A | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | N | A | -1.3754 | |
| 170 | R | A | -1.8030 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -1.5564 | |
| 173 | S | A | -1.6164 | |
| 174 | L | A | 0.0000 | |
| 175 | R | A | -2.7558 | |
| 176 | R | A | -2.1309 | |
| 177 | L | A | 0.0000 | |
| 178 | D | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | E | A | -1.2891 | |
| 182 | L | A | 0.0000 | |
| 183 | K | A | -2.5506 | |
| 184 | R | A | -3.0563 | |
| 185 | L | A | -1.6526 | |
| 186 | S | A | -0.7795 | |
| 187 | Y | A | 0.3738 | |
| 188 | I | A | 0.0134 | |
| 189 | S | A | 0.0000 | |
| 190 | E | A | -1.9348 | |
| 191 | G | A | -1.1267 | |
| 192 | A | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | E | A | -1.1587 | |
| 195 | G | A | -0.8917 | |
| 196 | L | A | 0.0000 | |
| 197 | S | A | -0.8212 | |
| 198 | N | A | -1.5607 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -2.9948 | |
| 201 | Y | A | -1.8406 | |
| 202 | L | A | 0.0000 | |
| 203 | N | A | -0.3838 | |
| 204 | L | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | M | A | -0.3649 | |
| 207 | C | A | 0.0000 | |
| 208 | N | A | -1.6766 | |
| 209 | L | A | -1.5069 | |
| 210 | R | A | -3.0248 | |
| 211 | E | A | -2.9419 | |
| 212 | I | A | -1.3837 | |
| 213 | P | A | -1.1431 | |
| 214 | N | A | -1.6481 | |
| 215 | L | A | 0.0000 | |
| 216 | T | A | -0.3947 | |
| 217 | P | A | -0.4326 | |
| 218 | L | A | 0.0000 | |
| 219 | I | A | 0.3991 | |
| 220 | K | A | -1.5915 | |
| 221 | L | A | 0.0000 | |
| 222 | D | A | -1.7713 | |
| 223 | E | A | -1.6631 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | -0.2191 | |
| 226 | L | A | 0.0000 | |
| 227 | S | A | -0.3532 | |
| 228 | G | A | -0.7013 | |
| 229 | N | A | 0.0000 | |
| 230 | H | A | -2.0341 | |
| 231 | L | A | 0.0000 | |
| 232 | S | A | -1.6852 | |
| 233 | A | A | -1.1732 | |
| 234 | I | A | 0.0000 | |
| 235 | R | A | -1.8399 | |
| 236 | P | A | 0.0000 | |
| 237 | G | A | -1.0366 | |
| 238 | S | A | -1.2187 | |
| 239 | F | A | 0.0000 | |
| 240 | Q | A | -0.5799 | |
| 241 | G | A | -0.3562 | |
| 242 | L | A | 0.0000 | |
| 243 | M | A | -0.7340 | |
| 244 | H | A | -1.6652 | |
| 245 | L | A | 0.0000 | |
| 246 | Q | A | -1.5980 | |
| 247 | K | A | -1.0436 | |
| 248 | L | A | 0.0000 | |
| 249 | W | A | -0.1479 | |
| 250 | M | A | 0.0000 | |
| 251 | I | A | -0.4292 | |
| 252 | Q | A | -1.7900 | |
| 253 | S | A | 0.0000 | |
| 254 | Q | A | -2.5094 | |
| 255 | I | A | 0.0000 | |
| 256 | Q | A | -1.5733 | |
| 257 | V | A | -0.2310 | |
| 258 | I | A | 0.0000 | |
| 259 | E | A | -0.6757 | |
| 260 | R | A | 0.0000 | |
| 261 | N | A | -1.0709 | |
| 262 | A | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | D | A | -1.1306 | |
| 265 | N | A | -0.9718 | |
| 266 | L | A | 0.0000 | |
| 267 | Q | A | -1.9597 | |
| 268 | S | A | -1.5545 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | -1.2464 | |
| 271 | E | A | -1.0427 | |
| 272 | I | A | 0.0000 | |
| 273 | N | A | -0.3940 | |
| 274 | L | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | H | A | -1.7531 | |
| 277 | N | A | 0.0000 | |
| 278 | N | A | -2.3637 | |
| 279 | L | A | 0.0000 | |
| 280 | T | A | -0.5059 | |
| 281 | L | A | -0.0636 | |
| 282 | L | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | D | A | -1.5073 | |
| 286 | L | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | T | A | -0.8872 | |
| 289 | P | A | -1.1937 | |
| 290 | L | A | 0.0000 | |
| 291 | H | A | -1.7693 | |
| 292 | H | A | -2.0533 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | -1.4832 | |
| 295 | R | A | -1.3137 | |
| 296 | I | A | 0.0000 | |
| 297 | H | A | -0.3564 | |
| 298 | L | A | 0.0000 | |
| 299 | H | A | -0.9529 | |
| 300 | H | A | -1.8580 | |
| 301 | N | A | 0.0000 | |
| 302 | P | A | -1.5071 | |
| 303 | W | A | 0.0000 | |
| 304 | N | A | -1.0005 | |
| 305 | C | A | 0.0000 | |
| 306 | N | A | -0.3538 | |
| 307 | C | A | 0.1487 | |
| 308 | D | A | -0.0946 | |
| 309 | I | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | W | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | W | A | -1.2422 | |
| 315 | W | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | R | A | -2.8060 | |
| 318 | D | A | -2.2919 | |
| 319 | M | A | -0.9593 | |
| 320 | A | A | -1.1842 | |
| 321 | P | A | -1.1990 | |
| 322 | S | A | -1.1329 | |
| 323 | N | A | -1.2815 | |
| 324 | T | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | C | A | 0.0543 | |
| 327 | C | A | -0.2527 | |
| 328 | A | A | 0.0000 | |
| 329 | R | A | -2.6583 | |
| 330 | C | A | 0.0000 | |
| 331 | N | A | -2.1835 | |
| 332 | T | A | -1.6971 | |
| 333 | P | A | -1.3611 | |
| 334 | P | A | -1.7061 | |
| 335 | N | A | -2.1313 | |
| 336 | L | A | 0.0000 | |
| 337 | K | A | -3.1185 | |
| 338 | G | A | -2.2767 | |
| 339 | R | A | -2.5024 | |
| 340 | Y | A | -1.5824 | |
| 341 | I | A | 0.0000 | |
| 342 | G | A | -2.0061 | |
| 343 | E | A | -2.6362 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | -1.7623 | |
| 346 | Q | A | -1.3284 | |
| 347 | N | A | -1.4282 | |
| 348 | Y | A | -0.0948 | |
| 349 | F | A | -0.0141 | |
| 350 | T | A | 0.1685 | |
| 351 | C | A | 0.8083 | |
| 352 | Y | A | 1.7850 | |
| 353 | A | A | 1.0311 | |
| 354 | P | A | 0.0000 | |
| 355 | V | A | 1.9755 | |
| 356 | I | A | 1.2025 | |
| 357 | V | A | 1.3281 | |
| 358 | E | A | -0.5848 | |
| 359 | P | A | -0.4465 | |
| 360 | P | A | -1.1066 | |
| 361 | A | A | -1.2102 | |
| 362 | D | A | -1.9344 | |
| 363 | L | A | -1.5514 | |
| 364 | N | A | -1.8277 | |
| 365 | V | A | 0.0000 | |
| 366 | T | A | -0.5238 | |
| 367 | E | A | -0.7063 | |
| 368 | G | A | -0.5645 | |
| 369 | M | A | 0.1544 | |
| 370 | A | A | -0.4795 | |
| 371 | A | A | 0.0000 | |
| 372 | E | A | -1.4836 | |
| 373 | L | A | 0.0000 | |
| 374 | K | A | -1.5237 | |
| 375 | C | A | 0.0000 | |
| 376 | R | A | -1.0982 | |
| 377 | A | A | 0.0870 | |
| 378 | S | A | 0.5074 | |
| 379 | T | A | 0.0529 | |
| 380 | S | A | -0.5428 | |
| 381 | L | A | -0.1625 | |
| 382 | T | A | 0.0000 | |
| 383 | S | A | -0.5908 | |
| 384 | V | A | 0.0000 | |
| 385 | S | A | 0.5158 | |
| 386 | W | A | 0.0000 | |
| 387 | I | A | 0.9939 | |
| 388 | T | A | 0.2084 | |
| 389 | P | A | -0.4805 | |
| 390 | N | A | -1.1686 | |
| 391 | G | A | -0.5517 | |
| 392 | T | A | 0.3085 | |
| 393 | V | A | 1.6797 | |
| 394 | M | A | 0.0000 | |
| 395 | T | A | 0.5122 | |
| 396 | H | A | -0.4423 | |
| 397 | G | A | -0.5552 | |
| 398 | A | A | 0.3874 | |
| 399 | Y | A | 0.7000 | |
| 400 | K | A | -0.3290 | |
| 401 | V | A | 0.9258 | |
| 402 | R | A | -0.3166 | |
| 403 | I | A | -0.2351 | |
| 404 | A | A | 0.0193 | |
| 405 | V | A | 0.0000 | |
| 406 | L | A | 0.0299 | |
| 407 | S | A | -0.5672 | |
| 408 | D | A | -0.9260 | |
| 409 | G | A | 0.0000 | |
| 410 | T | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | N | A | -0.9536 | |
| 413 | F | A | 0.0000 | |
| 414 | T | A | -0.5411 | |
| 415 | N | A | -1.0384 | |
| 416 | V | A | 0.0000 | |
| 417 | T | A | -0.5726 | |
| 418 | V | A | -0.0794 | |
| 419 | Q | A | -0.9891 | |
| 420 | D | A | 0.0000 | |
| 421 | T | A | -0.5260 | |
| 422 | G | A | -0.2321 | |
| 423 | M | A | 0.2671 | |
| 424 | Y | A | 0.0000 | |
| 425 | T | A | 0.4543 | |
| 426 | C | A | 0.0000 | |
| 427 | M | A | 0.1670 | |
| 428 | V | A | 0.0000 | |
| 429 | S | A | -0.4516 | |
| 430 | N | A | -0.0393 | |
| 431 | S | A | 0.1399 | |
| 432 | V | A | 1.0473 | |
| 433 | G | A | -0.0514 | |
| 434 | N | A | -0.8086 | |
| 435 | T | A | -0.2622 | |
| 436 | T | A | -0.0924 | |
| 437 | A | A | -0.1832 | |
| 438 | S | A | -0.1689 | |
| 439 | A | A | 0.0000 | |
| 440 | T | A | -0.7427 | |
| 441 | L | A | 0.0000 | |
| 442 | N | A | -1.5207 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -0.4703 | |
| 445 | A | A | -0.0121 | |
| 446 | A | A | -0.0648 | |
| 447 | T | A | -0.1895 | |
| 448 | T | A | 0.0922 | |
| 449 | T | A | 0.3164 | |
| 450 | P | A | 0.7144 | |
| 451 | F | A | 2.2571 | |
| 452 | S | A | 1.8046 | |
| 453 | Y | A | 2.4947 | |
| 454 | F | A | 2.8801 | |
| 455 | S | A | 1.4509 | |
| 456 | T | A | 1.5360 | |
| 457 | V | A | 2.2901 | |
| 458 | T | A | 1.1744 | |
| 459 | V | A | 1.3644 | |
| 460 | E | A | -0.7959 | |
| 461 | T | A | -0.4998 | |
| 462 | M | A | -0.1159 | |
| 463 | E | A | -1.4893 | |
| 464 | P | A | -1.4054 | |
| 465 | S | A | -2.0442 | |
| 466 | Q | A | -2.6463 | |
| 467 | D | A | -3.3489 | |
| 468 | E | A | -3.3587 | |
| 469 | A | A | -2.1540 | |
| 470 | R | A | -2.2448 | |
| 471 | T | A | -1.5091 | |
| 472 | T | A | -1.9346 | |
| 473 | D | A | -2.7297 | |
| 474 | N | A | -2.4491 | |
| 475 | N | A | -1.6135 | |
| 476 | V | A | 0.5630 | |
| 477 | G | A | -0.0207 | |
| 478 | P | A | -0.1906 | |
| 479 | T | A | -0.0763 | |
| 480 | P | A | 0.9164 | |
| 481 | V | A | 2.3215 | |
| 482 | I | A | 2.2724 | |
| 483 | D | A | -0.1839 | |
| 484 | W | A | -0.1316 | |
| 485 | E | A | -1.6464 | |
| 486 | T | A | -0.9928 | |
| 487 | T | A | -0.7571 | |
| 488 | N | A | -0.4884 | |
| 489 | V | A | 1.0988 | |
| 490 | T | A | 0.6267 | |
| 491 | T | A | 0.4899 | |
| 492 | S | A | 0.4454 | |
| 493 | L | A | 1.2039 | |
| 494 | T | A | 0.2134 | |
| 495 | P | A | -0.5833 | |
| 496 | Q | A | -1.5182 | |
| 497 | S | A | -1.4138 | |
| 498 | T | A | -1.3938 | |
| 499 | R | A | -2.4007 | |
| 500 | S | A | -1.5915 | |
| 501 | T | A | -1.9728 | |
| 502 | E | A | -2.9521 | |
| 503 | K | A | -2.2206 | |
| 504 | T | A | -0.3247 | |
| 505 | F | A | 1.9239 | |
| 506 | T | A | 1.7566 | |
| 507 | I | A | 2.6386 | |
| 508 | P | A | 1.5183 | |
| 509 | V | A | 1.6710 | |
| 510 | T | A | 0.2797 | |
| 511 | D | A | -0.7143 | |
| 512 | I | A | 0.4548 | |
| 513 | N | A | -0.9026 | |
| 514 | S | A | -0.2565 | |
| 515 | G | A | 0.0279 | |
| 516 | I | A | 1.7566 | |
| 517 | P | A | 0.2729 | |
| 518 | G | A | 0.0064 | |
| 519 | I | A | 0.7993 | |
| 520 | D | A | -1.7462 | |
| 521 | E | A | -2.3359 | |
| 522 | V | A | -0.3188 | |
| 523 | M | A | -0.3888 | |
| 524 | K | A | -1.7383 | |
| 525 | T | A | -0.0626 | |
| 526 | T | A | 0.3190 | |
| 527 | K | A | -0.0989 | |
| 528 | I | A | 2.7057 | |
| 529 | I | A | 3.4651 | |
| 530 | I | A | 4.0221 | |
| 531 | G | A | 3.1036 | |
| 532 | C | A | 4.0306 | |
| 533 | F | A | 5.2427 | |
| 534 | V | A | 4.7726 | |
| 535 | A | A | 3.6657 | |
| 536 | I | A | 4.2161 | |
| 537 | T | A | 3.0902 | |
| 538 | L | A | 3.3725 | |
| 539 | M | A | 3.1661 | |
| 540 | A | A | 2.1122 | |
| 541 | A | A | 2.2164 | |
| 542 | V | A | 2.9822 | |
| 543 | M | A | 2.7478 | |
| 544 | L | A | 3.2420 | |
| 545 | V | A | 2.8065 | |
| 546 | I | A | 2.0941 | |
| 547 | F | A | 2.0149 | |
| 548 | Y | A | 1.2468 | |
| 549 | K | A | -1.1800 | |
| 550 | M | A | -1.3009 | |
| 551 | R | A | -2.9924 | |
| 552 | K | A | -3.9029 | |
| 553 | Q | A | -4.4093 | |
| 554 | H | A | -4.6612 | |
| 555 | H | A | -4.8820 | |
| 556 | R | A | -5.1375 | |
| 557 | Q | A | -4.4885 | |
| 558 | N | A | -3.9691 | |
| 559 | H | A | -3.5945 | |
| 560 | H | A | -2.8280 | |
| 561 | A | A | -1.8895 | |
| 562 | P | A | -1.3324 | |
| 563 | T | A | -1.1093 | |
| 564 | R | A | -1.7255 | |
| 565 | T | A | -0.4532 | |
| 566 | V | A | 1.1779 | |
| 567 | E | A | 0.2141 | |
| 568 | I | A | 2.4807 | |
| 569 | I | A | 2.3224 | |
| 570 | N | A | 0.1168 | |
| 571 | V | A | 0.3741 | |
| 572 | D | A | -2.1598 | |
| 573 | D | A | -2.6700 | |
| 574 | E | A | -1.9759 | |
| 575 | I | A | 0.3275 | |
| 576 | T | A | -0.2951 | |
| 577 | G | A | -0.9515 | |
| 578 | D | A | -2.1276 | |
| 579 | T | A | -0.9534 | |
| 580 | P | A | -0.5633 | |
| 581 | M | A | -0.0074 | |
| 582 | E | A | -1.6691 | |
| 583 | S | A | -1.0659 | |
| 584 | H | A | -0.7682 | |
| 585 | L | A | 1.0821 | |
| 586 | P | A | 0.7148 | |
| 587 | M | A | 1.0838 | |
| 588 | P | A | 0.7577 | |
| 589 | A | A | 0.6953 | |
| 590 | I | A | 0.5178 | |
| 591 | E | A | -1.7622 | |
| 592 | H | A | -2.3552 | |
| 593 | E | A | -2.9373 | |
| 594 | H | A | -2.1887 | |
| 595 | L | A | -0.2081 | |
| 596 | N | A | -1.2506 | |
| 597 | H | A | -1.0780 | |
| 598 | Y | A | 0.0689 | |
| 599 | N | A | -0.8652 | |
| 600 | S | A | -0.5485 | |
| 601 | Y | A | 0.0323 | |
| 602 | K | A | -1.4141 | |
| 603 | S | A | -0.6438 | |
| 604 | P | A | -0.1143 | |
| 605 | F | A | 0.9150 | |
| 606 | N | A | -0.8491 | |
| 607 | H | A | -1.2715 | |
| 608 | T | A | -0.8999 | |
| 609 | T | A | 0.0484 | |
| 610 | T | A | 0.6178 | |
| 611 | V | A | 1.0954 | |
| 612 | N | A | -0.0512 | |
| 613 | T | A | 0.4044 | |
| 614 | I | A | 1.0476 | |
| 615 | N | A | -0.0192 | |
| 616 | S | A | 0.2718 | |
| 617 | I | A | 1.1241 | |
| 618 | H | A | -0.0428 | |
| 619 | S | A | -0.0545 | |
| 620 | S | A | 0.0896 | |
| 621 | V | A | 0.5318 | |
| 622 | H | A | -1.0084 | |
| 623 | E | A | -1.5288 | |
| 624 | P | A | -0.1849 | |
| 625 | L | A | 2.2225 | |
| 626 | L | A | 2.6901 | |
| 627 | I | A | 2.3461 | |
| 628 | R | A | -0.3192 | |
| 629 | M | A | -0.0281 | |
| 630 | N | A | -1.7091 | |
| 631 | S | A | -2.0137 | |
| 632 | K | A | -2.9476 | |
| 633 | D | A | -3.2170 | |
| 634 | N | A | -2.2071 | |
| 635 | V | A | -0.6058 | |
| 636 | Q | A | -1.9186 | |
| 637 | E | A | -2.2319 | |
| 638 | T | A | -1.1324 | |
| 639 | Q | A | -0.8887 | |
| 640 | I | A | 1.3864 |
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 | -0.241 | 9.0066 | View | CSV | PDB |
| 4.5 | -0.289 | 9.0066 | View | CSV | PDB |
| 5.0 | -0.3464 | 9.0066 | View | CSV | PDB |
| 5.5 | -0.4 | 9.0066 | View | CSV | PDB |
| 6.0 | -0.4366 | 9.0066 | View | CSV | PDB |
| 6.5 | -0.4503 | 9.0066 | View | CSV | PDB |
| 7.0 | -0.4461 | 9.0066 | View | CSV | PDB |
| 7.5 | -0.4334 | 9.0066 | View | CSV | PDB |
| 8.0 | -0.4171 | 9.0066 | View | CSV | PDB |
| 8.5 | -0.3969 | 9.0066 | View | CSV | PDB |
| 9.0 | -0.3709 | 9.0066 | 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