| Chain sequence(s) | MISPAWSLFLIGTKIGLFFQVAPLSVVAKSCPSVCRCDAGFIYCNDRSLTSIPVGIPEDATTLYLQNNQINNVGIPSDLKNLLKVQRIYLYHNSLDEFPTNLPKYVKELHLQENNIRTITYDSLSKIPYLEELHLDDNSVSAVSIEEGAFRDSNYLRLLFLSRNHLSTIPGGLPRTIEELRLDDNRISTISSPSLHGLTSLKRLVLDGNLLNNHGLGDKVFFNLVNLTELSLVRNSLTAAPVNLPGTSLRKLYLQDNHINRVPPNAFSYLRQLYRLDMSNNNLSNLPQGIFDDLDNITQLILRNNPWYCGCKMKWVRDWLQSLPVKVNVRGLMCQAPEKVRGMAIKDLSAELFDCKDSGIVSTIQITTAIPNTAYPAQGQWPAPVTKQPDIKNPKLIKDQRTTGSPSRKTILITVKSVTPDTIHISWRLALPMTALRLSWLKLGHSPAFGSITETIVTGERSEYLVTALEPESPYRVCMVPMETSNLYLFDETPVCIETQTAPLRMYNPTTTLNREQEKEPYKNPNLPLAAIIGGAVALVSIALLALVCWYVHRNGSLFSRNCAYSKGRRRKDDYAEAGTKKDNSILEIRETSFQMLPISNEPISKEEFVIHTIFPPNGMNLYKNNLSESSSNRSYRDSGIPDSDHSHS 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e26d81e0839e44/tmp/folded.pdb (00:05:53)
[INFO] Main: Simulation completed successfully. (00:10:15)
|
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 | 1.9909 | |
| 2 | I | A | 2.3647 | |
| 3 | S | A | 0.8881 | |
| 4 | P | A | 0.3879 | |
| 5 | A | A | 0.6177 | |
| 6 | W | A | 1.3668 | |
| 7 | S | A | 1.5727 | |
| 8 | L | A | 3.0990 | |
| 9 | F | A | 3.9127 | |
| 10 | L | A | 3.6797 | |
| 11 | I | A | 2.9319 | |
| 12 | G | A | 0.4512 | |
| 13 | T | A | -0.2104 | |
| 14 | K | A | -0.8227 | |
| 15 | I | A | 1.5082 | |
| 16 | G | A | 1.4697 | |
| 17 | L | A | 2.9406 | |
| 18 | F | A | 3.6563 | |
| 19 | F | A | 3.2319 | |
| 20 | Q | A | 1.3814 | |
| 21 | V | A | 2.1997 | |
| 22 | A | A | 1.0735 | |
| 23 | P | A | 1.0647 | |
| 24 | L | A | 2.3974 | |
| 25 | S | A | 1.9143 | |
| 26 | V | A | 2.7421 | |
| 27 | V | A | 2.2990 | |
| 28 | A | A | 0.5741 | |
| 29 | K | A | -1.5552 | |
| 30 | S | A | -1.0140 | |
| 31 | C | A | -0.6936 | |
| 32 | P | A | 0.0000 | |
| 33 | S | A | 0.1492 | |
| 34 | V | A | 0.6209 | |
| 35 | C | A | -0.4982 | |
| 36 | R | A | -1.6343 | |
| 37 | C | A | 0.0000 | |
| 38 | D | A | -1.6515 | |
| 39 | A | A | -0.7107 | |
| 40 | G | A | -1.1282 | |
| 41 | F | A | -0.3632 | |
| 42 | I | A | 0.0000 | |
| 43 | Y | A | -0.5953 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -1.5024 | |
| 46 | D | A | -2.5795 | |
| 47 | R | A | -1.5449 | |
| 48 | S | A | -1.4256 | |
| 49 | L | A | -0.9285 | |
| 50 | T | A | -0.6078 | |
| 51 | S | A | 0.0364 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | 0.8855 | |
| 54 | V | A | 1.1666 | |
| 55 | G | A | -0.3058 | |
| 56 | I | A | 0.0000 | |
| 57 | P | A | -1.8615 | |
| 58 | E | A | -3.0945 | |
| 59 | D | A | -2.9040 | |
| 60 | A | A | 0.0000 | |
| 61 | T | A | -1.2335 | |
| 62 | T | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | Y | A | -0.1609 | |
| 65 | L | A | 0.0000 | |
| 66 | Q | A | 0.0000 | |
| 67 | N | A | -2.1406 | |
| 68 | N | A | 0.0000 | |
| 69 | Q | A | -2.0472 | |
| 70 | I | A | 0.0000 | |
| 71 | N | A | -1.2373 | |
| 72 | N | A | -0.4892 | |
| 73 | V | A | 1.4302 | |
| 74 | G | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | P | A | -0.4345 | |
| 77 | S | A | -1.4142 | |
| 78 | D | A | -2.5133 | |
| 79 | L | A | 0.0000 | |
| 80 | K | A | -2.6731 | |
| 81 | N | A | -2.3801 | |
| 82 | L | A | 0.0000 | |
| 83 | L | A | -0.4599 | |
| 84 | K | A | -1.8258 | |
| 85 | V | A | 0.0000 | |
| 86 | Q | A | -1.6636 | |
| 87 | R | A | -1.6454 | |
| 88 | I | A | 0.0000 | |
| 89 | Y | A | -0.1655 | |
| 90 | L | A | 0.0000 | |
| 91 | Y | A | -0.9440 | |
| 92 | H | A | -2.3734 | |
| 93 | N | A | -2.0098 | |
| 94 | S | A | -2.1837 | |
| 95 | L | A | 0.0000 | |
| 96 | D | A | -3.5045 | |
| 97 | E | A | -3.1813 | |
| 98 | F | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | T | A | -0.9595 | |
| 101 | N | A | -1.7663 | |
| 102 | L | A | 0.0000 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.4419 | |
| 105 | Y | A | -0.7013 | |
| 106 | V | A | 0.0000 | |
| 107 | K | A | -1.3533 | |
| 108 | E | A | -1.4309 | |
| 109 | L | A | 0.0000 | |
| 110 | H | A | -0.6000 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | -1.8507 | |
| 113 | E | A | -2.9462 | |
| 114 | N | A | 0.0000 | |
| 115 | N | A | -3.2705 | |
| 116 | I | A | 0.0000 | |
| 117 | R | A | -2.3408 | |
| 118 | T | A | -1.4595 | |
| 119 | I | A | 0.0000 | |
| 120 | T | A | -1.4733 | |
| 121 | Y | A | -1.8714 | |
| 122 | D | A | -2.1315 | |
| 123 | S | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | S | A | -1.7491 | |
| 126 | K | A | -1.9398 | |
| 127 | I | A | 0.0000 | |
| 128 | P | A | -0.8293 | |
| 129 | Y | A | -0.2108 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -0.9228 | |
| 132 | E | A | -0.9577 | |
| 133 | L | A | 0.0000 | |
| 134 | H | A | -0.6599 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -1.9531 | |
| 137 | D | A | -3.1134 | |
| 138 | N | A | 0.0000 | |
| 139 | S | A | -2.2767 | |
| 140 | V | A | 0.0000 | |
| 141 | S | A | -0.5485 | |
| 142 | A | A | -0.2172 | |
| 143 | V | A | 0.3362 | |
| 144 | S | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | E | A | -1.9929 | |
| 147 | E | A | -2.6852 | |
| 148 | G | A | -2.1983 | |
| 149 | A | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | R | A | -2.9175 | |
| 152 | D | A | -1.9895 | |
| 153 | S | A | 0.0000 | |
| 154 | N | A | -1.6457 | |
| 155 | Y | A | 0.0246 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.2534 | |
| 158 | L | A | -0.5779 | |
| 159 | L | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | R | A | -3.2293 | |
| 164 | N | A | 0.0000 | |
| 165 | H | A | -2.1380 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | -0.9978 | |
| 168 | T | A | -0.4348 | |
| 169 | I | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | G | A | -1.3018 | |
| 172 | G | A | -2.0152 | |
| 173 | L | A | 0.0000 | |
| 174 | P | A | 0.0000 | |
| 175 | R | A | -2.5050 | |
| 176 | T | A | -1.2740 | |
| 177 | I | A | 0.0000 | |
| 178 | E | A | -1.5953 | |
| 179 | E | A | -1.1950 | |
| 180 | L | A | 0.0000 | |
| 181 | R | A | -1.0803 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -1.5734 | |
| 184 | D | A | -2.0372 | |
| 185 | N | A | 0.0000 | |
| 186 | R | A | -2.2911 | |
| 187 | I | A | 0.0000 | |
| 188 | S | A | -0.3686 | |
| 189 | T | A | -0.5112 | |
| 190 | I | A | 0.0000 | |
| 191 | S | A | -0.8544 | |
| 192 | S | A | -1.1618 | |
| 193 | P | A | -0.8781 | |
| 194 | S | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | H | A | -1.5072 | |
| 197 | G | A | -1.1224 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -0.9564 | |
| 200 | S | A | -1.2808 | |
| 201 | L | A | 0.0000 | |
| 202 | K | A | -2.0236 | |
| 203 | R | A | -1.6657 | |
| 204 | L | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | D | A | -0.9667 | |
| 208 | G | A | -1.4327 | |
| 209 | N | A | 0.0000 | |
| 210 | L | A | -0.1355 | |
| 211 | L | A | 0.0000 | |
| 212 | N | A | -0.8712 | |
| 213 | N | A | -0.8994 | |
| 214 | H | A | -1.4862 | |
| 215 | G | A | 0.0000 | |
| 216 | L | A | -1.0041 | |
| 217 | G | A | -1.6200 | |
| 218 | D | A | -2.3716 | |
| 219 | K | A | -1.8362 | |
| 220 | V | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | F | A | 0.9928 | |
| 223 | N | A | 0.1738 | |
| 224 | L | A | 0.0000 | |
| 225 | V | A | 0.4574 | |
| 226 | N | A | -1.1897 | |
| 227 | L | A | 0.0000 | |
| 228 | T | A | -1.4077 | |
| 229 | E | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | -1.1933 | |
| 234 | R | A | -2.2495 | |
| 235 | N | A | 0.0000 | |
| 236 | S | A | -0.8467 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | -1.5448 | |
| 239 | A | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | V | A | 0.0158 | |
| 243 | N | A | -0.3156 | |
| 244 | L | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | G | A | -0.0578 | |
| 247 | T | A | -0.1779 | |
| 248 | S | A | -1.0681 | |
| 249 | L | A | 0.0000 | |
| 250 | R | A | -2.0937 | |
| 251 | K | A | -1.3609 | |
| 252 | L | A | 0.0000 | |
| 253 | Y | A | -0.3727 | |
| 254 | L | A | 0.0000 | |
| 255 | Q | A | -1.7326 | |
| 256 | D | A | -2.6202 | |
| 257 | N | A | 0.0000 | |
| 258 | H | A | -2.4643 | |
| 259 | I | A | 0.0000 | |
| 260 | N | A | -2.6626 | |
| 261 | R | A | -2.5032 | |
| 262 | V | A | 0.0000 | |
| 263 | P | A | -0.8211 | |
| 264 | P | A | -1.2236 | |
| 265 | N | A | -1.1727 | |
| 266 | A | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | S | A | -0.5099 | |
| 269 | Y | A | -0.0105 | |
| 270 | L | A | 0.0000 | |
| 271 | R | A | -2.5467 | |
| 272 | Q | A | -2.3683 | |
| 273 | L | A | 0.0000 | |
| 274 | Y | A | -1.6398 | |
| 275 | R | A | -1.3442 | |
| 276 | L | A | 0.0000 | |
| 277 | D | A | 0.0000 | |
| 278 | M | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | N | A | -2.5444 | |
| 281 | N | A | 0.0000 | |
| 282 | N | A | -2.4615 | |
| 283 | L | A | 0.0000 | |
| 284 | S | A | -0.8922 | |
| 285 | N | A | -1.1097 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | -1.3743 | |
| 288 | Q | A | -1.9492 | |
| 289 | G | A | -1.6353 | |
| 290 | I | A | 0.0000 | |
| 291 | F | A | 0.0000 | |
| 292 | D | A | -2.5227 | |
| 293 | D | A | -2.1497 | |
| 294 | L | A | 0.0000 | |
| 295 | D | A | -3.2305 | |
| 296 | N | A | -3.0483 | |
| 297 | I | A | 0.0000 | |
| 298 | T | A | -1.1515 | |
| 299 | Q | A | -1.3287 | |
| 300 | L | A | 0.0000 | |
| 301 | I | A | -1.2856 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -2.4258 | |
| 304 | N | A | -2.4411 | |
| 305 | N | A | 0.0000 | |
| 306 | P | A | -1.1135 | |
| 307 | W | A | 0.0000 | |
| 308 | Y | A | 0.0664 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -0.7542 | |
| 311 | C | A | -1.3279 | |
| 312 | K | A | -1.8659 | |
| 313 | M | A | 0.0000 | |
| 314 | K | A | -1.6490 | |
| 315 | W | A | -1.2009 | |
| 316 | V | A | 0.0000 | |
| 317 | R | A | -1.9855 | |
| 318 | D | A | -1.8172 | |
| 319 | W | A | -1.3088 | |
| 320 | L | A | -1.2476 | |
| 321 | Q | A | -1.9014 | |
| 322 | S | A | -0.6787 | |
| 323 | L | A | -0.1759 | |
| 324 | P | A | 0.0178 | |
| 325 | V | A | 0.7255 | |
| 326 | K | A | -1.1289 | |
| 327 | V | A | -0.8452 | |
| 328 | N | A | -1.2785 | |
| 329 | V | A | -1.0869 | |
| 330 | R | A | -2.1441 | |
| 331 | G | A | -1.7005 | |
| 332 | L | A | 0.0000 | |
| 333 | M | A | -0.8824 | |
| 334 | C | A | 0.0000 | |
| 335 | Q | A | -1.5470 | |
| 336 | A | A | -1.3839 | |
| 337 | P | A | -1.7480 | |
| 338 | E | A | -3.2280 | |
| 339 | K | A | -2.8624 | |
| 340 | V | A | 0.0000 | |
| 341 | R | A | -2.9694 | |
| 342 | G | A | -1.5151 | |
| 343 | M | A | -1.0992 | |
| 344 | A | A | -1.1713 | |
| 345 | I | A | 0.0000 | |
| 346 | K | A | -2.7223 | |
| 347 | D | A | -2.5312 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | -1.2973 | |
| 350 | A | A | -1.4023 | |
| 351 | E | A | -2.2214 | |
| 352 | L | A | -1.2011 | |
| 353 | F | A | 0.0000 | |
| 354 | D | A | -2.7368 | |
| 355 | C | A | -2.3399 | |
| 356 | K | A | -3.1457 | |
| 357 | D | A | -2.6589 | |
| 358 | S | A | -0.8541 | |
| 359 | G | A | 0.1211 | |
| 360 | I | A | 2.2578 | |
| 361 | V | A | 2.7563 | |
| 362 | S | A | 1.6766 | |
| 363 | T | A | 1.6555 | |
| 364 | I | A | 2.2013 | |
| 365 | Q | A | 0.6852 | |
| 366 | I | A | 2.0062 | |
| 367 | T | A | 1.0245 | |
| 368 | T | A | 0.8012 | |
| 369 | A | A | 1.0689 | |
| 370 | I | A | 1.5429 | |
| 371 | P | A | 0.1451 | |
| 372 | N | A | -0.7471 | |
| 373 | T | A | -0.2385 | |
| 374 | A | A | 0.3028 | |
| 375 | Y | A | 0.9471 | |
| 376 | P | A | 0.1796 | |
| 377 | A | A | -0.4602 | |
| 378 | Q | A | -1.4711 | |
| 379 | G | A | -1.3861 | |
| 380 | Q | A | -1.1954 | |
| 381 | W | A | 0.2362 | |
| 382 | P | A | 0.1756 | |
| 383 | A | A | 0.3856 | |
| 384 | P | A | 0.4881 | |
| 385 | V | A | 1.0453 | |
| 386 | T | A | -0.3720 | |
| 387 | K | A | -2.1663 | |
| 388 | Q | A | -2.2236 | |
| 389 | P | A | -1.7907 | |
| 390 | D | A | -1.7963 | |
| 391 | I | A | -0.1607 | |
| 392 | K | A | -1.8101 | |
| 393 | N | A | -2.0570 | |
| 394 | P | A | -1.3417 | |
| 395 | K | A | -1.0342 | |
| 396 | L | A | 1.0686 | |
| 397 | I | A | 0.9744 | |
| 398 | K | A | -1.8515 | |
| 399 | D | A | -3.2050 | |
| 400 | Q | A | -3.1679 | |
| 401 | R | A | -3.1099 | |
| 402 | T | A | -1.3734 | |
| 403 | T | A | -0.8952 | |
| 404 | G | A | -0.8876 | |
| 405 | S | A | -0.8536 | |
| 406 | P | A | -1.2942 | |
| 407 | S | A | -1.8134 | |
| 408 | R | A | -2.6888 | |
| 409 | K | A | -2.6210 | |
| 410 | T | A | -1.4945 | |
| 411 | I | A | 0.0000 | |
| 412 | L | A | 0.5224 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -0.3468 | |
| 415 | V | A | -0.6091 | |
| 416 | K | A | -0.9484 | |
| 417 | S | A | -0.2468 | |
| 418 | V | A | 1.2404 | |
| 419 | T | A | 0.2866 | |
| 420 | P | A | 0.0000 | |
| 421 | D | A | -1.2375 | |
| 422 | T | A | -0.2661 | |
| 423 | I | A | 0.0000 | |
| 424 | H | A | -0.0121 | |
| 425 | I | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | W | A | 0.0000 | |
| 428 | R | A | -1.6405 | |
| 429 | L | A | -0.5298 | |
| 430 | A | A | -0.4546 | |
| 431 | L | A | 0.2187 | |
| 432 | P | A | -0.4066 | |
| 433 | M | A | -0.4699 | |
| 434 | T | A | -0.8655 | |
| 435 | A | A | -0.5301 | |
| 436 | L | A | 0.0000 | |
| 437 | R | A | -0.4780 | |
| 438 | L | A | 0.0000 | |
| 439 | S | A | 0.0000 | |
| 440 | W | A | -0.3021 | |
| 441 | L | A | -0.6276 | |
| 442 | K | A | -1.3951 | |
| 443 | L | A | -1.0851 | |
| 444 | G | A | -0.8100 | |
| 445 | H | A | -0.8956 | |
| 446 | S | A | -0.2619 | |
| 447 | P | A | -0.0530 | |
| 448 | A | A | 0.3621 | |
| 449 | F | A | 1.1894 | |
| 450 | G | A | 0.3493 | |
| 451 | S | A | 0.2551 | |
| 452 | I | A | 0.4763 | |
| 453 | T | A | -0.0926 | |
| 454 | E | A | -0.4525 | |
| 455 | T | A | 0.0541 | |
| 456 | I | A | 1.0712 | |
| 457 | V | A | 0.0000 | |
| 458 | T | A | -0.7560 | |
| 459 | G | A | -1.5579 | |
| 460 | E | A | -2.6343 | |
| 461 | R | A | -2.7489 | |
| 462 | S | A | -2.1462 | |
| 463 | E | A | -1.8764 | |
| 464 | Y | A | -0.1671 | |
| 465 | L | A | 0.6916 | |
| 466 | V | A | 0.0000 | |
| 467 | T | A | -0.1325 | |
| 468 | A | A | -0.7170 | |
| 469 | L | A | 0.0000 | |
| 470 | E | A | -2.5724 | |
| 471 | P | A | -1.9242 | |
| 472 | E | A | -2.1638 | |
| 473 | S | A | 0.0000 | |
| 474 | P | A | -1.8922 | |
| 475 | Y | A | 0.0000 | |
| 476 | R | A | -1.3991 | |
| 477 | V | A | 0.0000 | |
| 478 | C | A | -0.2206 | |
| 479 | M | A | 0.0000 | |
| 480 | V | A | -0.6668 | |
| 481 | P | A | 0.0000 | |
| 482 | M | A | -0.8143 | |
| 483 | E | A | -1.6527 | |
| 484 | T | A | -1.0225 | |
| 485 | S | A | -0.6047 | |
| 486 | N | A | -0.5683 | |
| 487 | L | A | 1.5272 | |
| 488 | Y | A | 1.6379 | |
| 489 | L | A | 0.8231 | |
| 490 | F | A | 1.4962 | |
| 491 | D | A | -1.4066 | |
| 492 | E | A | -2.0677 | |
| 493 | T | A | -1.3087 | |
| 494 | P | A | -0.7079 | |
| 495 | V | A | 0.2599 | |
| 496 | C | A | 0.2879 | |
| 497 | I | A | -0.0695 | |
| 498 | E | A | -1.9864 | |
| 499 | T | A | -1.9595 | |
| 500 | Q | A | -2.5955 | |
| 501 | T | A | 0.0000 | |
| 502 | A | A | -1.0122 | |
| 503 | P | A | -0.8736 | |
| 504 | L | A | 0.4040 | |
| 505 | R | A | -0.4500 | |
| 506 | M | A | 0.8118 | |
| 507 | Y | A | 0.8114 | |
| 508 | N | A | -0.7299 | |
| 509 | P | A | -0.4460 | |
| 510 | T | A | -0.2801 | |
| 511 | T | A | 0.0045 | |
| 512 | T | A | 0.2154 | |
| 513 | L | A | 0.5187 | |
| 514 | N | A | -1.9627 | |
| 515 | R | A | -3.4852 | |
| 516 | E | A | -4.1627 | |
| 517 | Q | A | -4.1786 | |
| 518 | E | A | -4.0059 | |
| 519 | K | A | -3.7798 | |
| 520 | E | A | -3.2714 | |
| 521 | P | A | -1.5939 | |
| 522 | Y | A | -0.3199 | |
| 523 | K | A | -2.1924 | |
| 524 | N | A | -2.0553 | |
| 525 | P | A | -1.4438 | |
| 526 | N | A | -0.9560 | |
| 527 | L | A | 1.2399 | |
| 528 | P | A | 1.6066 | |
| 529 | L | A | 2.7294 | |
| 530 | A | A | 2.0777 | |
| 531 | A | A | 2.2902 | |
| 532 | I | A | 3.5855 | |
| 533 | I | A | 3.4019 | |
| 534 | G | A | 2.0453 | |
| 535 | G | A | 2.0579 | |
| 536 | A | A | 2.7813 | |
| 537 | V | A | 3.6708 | |
| 538 | A | A | 2.7237 | |
| 539 | L | A | 3.7088 | |
| 540 | V | A | 4.2798 | |
| 541 | S | A | 3.7069 | |
| 542 | I | A | 4.5080 | |
| 543 | A | A | 4.0456 | |
| 544 | L | A | 4.7394 | |
| 545 | L | A | 4.7009 | |
| 546 | A | A | 3.8599 | |
| 547 | L | A | 4.7034 | |
| 548 | V | A | 4.5774 | |
| 549 | C | A | 3.3141 | |
| 550 | W | A | 2.9076 | |
| 551 | Y | A | 2.7381 | |
| 552 | V | A | 2.0698 | |
| 553 | H | A | -0.1596 | |
| 554 | R | A | -1.1461 | |
| 555 | N | A | -0.5170 | |
| 556 | G | A | -0.2731 | |
| 557 | S | A | -0.0234 | |
| 558 | L | A | 1.4347 | |
| 559 | F | A | 1.6984 | |
| 560 | S | A | -0.0236 | |
| 561 | R | A | -1.6490 | |
| 562 | N | A | -1.5148 | |
| 563 | C | A | -0.1580 | |
| 564 | A | A | 0.4940 | |
| 565 | Y | A | 1.0450 | |
| 566 | S | A | -0.4048 | |
| 567 | K | A | -2.1848 | |
| 568 | G | A | -2.8167 | |
| 569 | R | A | -3.7204 | |
| 570 | R | A | -4.1149 | |
| 571 | R | A | -4.6687 | |
| 572 | K | A | -4.4066 | |
| 573 | D | A | -3.7068 | |
| 574 | D | A | -2.7203 | |
| 575 | Y | A | -0.2478 | |
| 576 | A | A | -0.8073 | |
| 577 | E | A | -1.6530 | |
| 578 | A | A | -1.4510 | |
| 579 | G | A | -1.6473 | |
| 580 | T | A | -1.9860 | |
| 581 | K | A | -3.1965 | |
| 582 | K | A | -3.8232 | |
| 583 | D | A | -3.2304 | |
| 584 | N | A | -1.6101 | |
| 585 | S | A | 0.3578 | |
| 586 | I | A | 2.3113 | |
| 587 | L | A | 2.1985 | |
| 588 | E | A | 0.9467 | |
| 589 | I | A | 1.1988 | |
| 590 | R | A | -1.6288 | |
| 591 | E | A | -2.1350 | |
| 592 | T | A | -0.9127 | |
| 593 | S | A | -0.1956 | |
| 594 | F | A | 1.5431 | |
| 595 | Q | A | 1.3223 | |
| 596 | M | A | 2.2670 | |
| 597 | L | A | 1.7221 | |
| 598 | P | A | 0.9647 | |
| 599 | I | A | 1.3640 | |
| 600 | S | A | -0.4755 | |
| 601 | N | A | -1.6620 | |
| 602 | E | A | -1.9039 | |
| 603 | P | A | -0.6997 | |
| 604 | I | A | 0.5441 | |
| 605 | S | A | -0.9454 | |
| 606 | K | A | -2.5054 | |
| 607 | E | A | -2.6227 | |
| 608 | E | A | -1.5105 | |
| 609 | F | A | 1.6504 | |
| 610 | V | A | 2.7085 | |
| 611 | I | A | 2.7901 | |
| 612 | H | A | 1.4418 | |
| 613 | T | A | 1.7196 | |
| 614 | I | A | 2.8225 | |
| 615 | F | A | 2.5448 | |
| 616 | P | A | 0.4660 | |
| 617 | P | A | -0.5781 | |
| 618 | N | A | -1.5002 | |
| 619 | G | A | -1.0584 | |
| 620 | M | A | 0.3805 | |
| 621 | N | A | 0.1960 | |
| 622 | L | A | 1.4639 | |
| 623 | Y | A | 0.8967 | |
| 624 | K | A | -1.7100 | |
| 625 | N | A | -2.2365 | |
| 626 | N | A | -1.5012 | |
| 627 | L | A | 0.1320 | |
| 628 | S | A | -0.8025 | |
| 629 | E | A | -1.7542 | |
| 630 | S | A | -1.2920 | |
| 631 | S | A | -1.0811 | |
| 632 | S | A | -1.3713 | |
| 633 | N | A | -2.4285 | |
| 634 | R | A | -2.5284 | |
| 635 | S | A | -1.3792 | |
| 636 | Y | A | -0.5694 | |
| 637 | R | A | -2.4282 | |
| 638 | D | A | -2.4137 | |
| 639 | S | A | -1.2819 | |
| 640 | G | A | -0.5703 | |
| 641 | I | A | 0.9970 | |
| 642 | P | A | -0.3549 | |
| 643 | D | A | -2.1830 | |
| 644 | S | A | -2.0537 | |
| 645 | D | A | -2.8939 | |
| 646 | H | A | -2.4459 | |
| 647 | S | A | -1.6643 | |
| 648 | H | A | -1.4151 | |
| 649 | S | A | -0.7305 |
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 | -0.2511 | 7.4327 | View | CSV | PDB |
| 4.5 | -0.3175 | 7.4327 | View | CSV | PDB |
| 5.0 | -0.3973 | 7.4327 | View | CSV | PDB |
| 5.5 | -0.4754 | 7.4327 | View | CSV | PDB |
| 6.0 | -0.5363 | 7.4327 | View | CSV | PDB |
| 6.5 | -0.5705 | 7.4327 | View | CSV | PDB |
| 7.0 | -0.5807 | 7.4327 | View | CSV | PDB |
| 7.5 | -0.5762 | 7.4327 | View | CSV | PDB |
| 8.0 | -0.5634 | 7.4327 | View | CSV | PDB |
| 8.5 | -0.5431 | 7.4327 | View | CSV | PDB |
| 9.0 | -0.5128 | 7.4327 | 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