| Chain sequence(s) | METKNSEDQGKPQRKSVSSLWKSKHGPAEMRPELPPETAKETQNEEPRCLIPIQRNSLFNRAMRHKHKARSMSERRANDQAGDLPETRKSVNEPLAFNLPQGRLPPWRTPAQRGPGAQEASESSSTPGNGTTPEECPALTDSPTTLTEALQMIHPIPADSWRNLIEQIGLLYQEYRDKSTLQEIETRRQQDAEIQGNSDGSQAGEDNAEEEEEEEEEPASPPERRALPQICLLSNPHSRFNLWQDLPEIQSSGVLDILQPEETKLQEAMFELVTSEASYYKSLNLLVSHFMENERLKKILHPSEAHILFSNVLDVMAVSERFLLELEHRMEENIVISDVCDIVYRYAADHFSVYITYVSNQTYQERTYKQLLQEKTAFRELIAQLELDPKCKGLPLSSFLILPFQRITRLKLLVQNILKRVEEGSEREGTALDAHKELEMVVKACNEGVRKMSRTEQMISIQKKMEFKIKSVPIISHSRWLLKQGELQQMSGPKTSRTLRTKKLFREIYLFLFNDLLVICRQIPGDKYQVFDSAPRGLLRVEELEDQGQTLANVFILRLLENADDREATYMLKASSQSEMKRWMTSLAPNRRTKFVSFTSRLLDCPQVQCVHPYVAQQPDELTLELADILNILEKTEDGWIFGERLHDQERGWFPSSMTEEILNPKIRSQNLKECFRVHKMEDPQRSQNKDRRKLGSRNRQ 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] (00:00:00)
[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] 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 (00:27:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2c3134f4cb9ad5/tmp/folded.pdb (00:27:19)
[INFO] Main: Simulation completed successfully. (00:40:51)
|
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 | 0.0617 | |
| 2 | E | A | -1.6640 | |
| 3 | T | A | -1.9179 | |
| 4 | K | A | -2.7987 | |
| 5 | N | A | -2.6088 | |
| 6 | S | A | -2.5589 | |
| 7 | E | A | -3.3627 | |
| 8 | D | A | -3.4272 | |
| 9 | Q | A | -3.1031 | |
| 10 | G | A | -2.3101 | |
| 11 | K | A | -2.5609 | |
| 12 | P | A | -2.2036 | |
| 13 | Q | A | -2.9249 | |
| 14 | R | A | -3.3654 | |
| 15 | K | A | -2.5822 | |
| 16 | S | A | -0.6924 | |
| 17 | V | A | 1.1363 | |
| 18 | S | A | 0.8084 | |
| 19 | S | A | 1.0482 | |
| 20 | L | A | 1.5479 | |
| 21 | W | A | 0.9482 | |
| 22 | K | A | -1.1917 | |
| 23 | S | A | -1.7252 | |
| 24 | K | A | -2.7245 | |
| 25 | H | A | -2.1329 | |
| 26 | G | A | -1.3836 | |
| 27 | P | A | -0.8993 | |
| 28 | A | A | -0.9607 | |
| 29 | E | A | -1.8112 | |
| 30 | M | A | -1.1039 | |
| 31 | R | A | -2.2196 | |
| 32 | P | A | -1.5875 | |
| 33 | E | A | -1.6352 | |
| 34 | L | A | -0.0048 | |
| 35 | P | A | -0.5951 | |
| 36 | P | A | -1.1429 | |
| 37 | E | A | -2.0202 | |
| 38 | T | A | -1.6663 | |
| 39 | A | A | -1.7239 | |
| 40 | K | A | -2.9157 | |
| 41 | E | A | -3.1545 | |
| 42 | T | A | -2.4788 | |
| 43 | Q | A | -3.1934 | |
| 44 | N | A | -3.5117 | |
| 45 | E | A | -3.9374 | |
| 46 | E | A | -3.6457 | |
| 47 | P | A | -2.2272 | |
| 48 | R | A | -1.6099 | |
| 49 | C | A | 0.8518 | |
| 50 | L | A | 2.5232 | |
| 51 | I | A | 2.9252 | |
| 52 | P | A | 1.4306 | |
| 53 | I | A | 0.9652 | |
| 54 | Q | A | -1.3978 | |
| 55 | R | A | -2.6155 | |
| 56 | N | A | -2.1763 | |
| 57 | S | A | -1.0299 | |
| 58 | L | A | -0.2479 | |
| 59 | F | A | -0.8211 | |
| 60 | N | A | -1.6136 | |
| 61 | R | A | -2.2898 | |
| 62 | A | A | -1.6442 | |
| 63 | M | A | -2.0485 | |
| 64 | R | A | -3.7641 | |
| 65 | H | A | -3.5348 | |
| 66 | K | A | -3.5500 | |
| 67 | H | A | -3.8325 | |
| 68 | K | A | -3.8291 | |
| 69 | A | A | -3.0560 | |
| 70 | R | A | -4.1360 | |
| 71 | S | A | -3.1574 | |
| 72 | M | A | -2.5309 | |
| 73 | S | A | -3.3983 | |
| 74 | E | A | -4.4070 | |
| 75 | R | A | -4.7313 | |
| 76 | R | A | -4.7275 | |
| 77 | A | A | -3.5367 | |
| 78 | N | A | -4.1163 | |
| 79 | D | A | -4.3796 | |
| 80 | Q | A | -3.5010 | |
| 81 | A | A | -2.0868 | |
| 82 | G | A | -1.6727 | |
| 83 | D | A | -1.4841 | |
| 84 | L | A | 0.1022 | |
| 85 | P | A | -0.7728 | |
| 86 | E | A | -2.0340 | |
| 87 | T | A | -2.2837 | |
| 88 | R | A | -3.1033 | |
| 89 | K | A | -2.3456 | |
| 90 | S | A | -0.6941 | |
| 91 | V | A | 0.3472 | |
| 92 | N | A | -1.5271 | |
| 93 | E | A | -1.9482 | |
| 94 | P | A | -0.6183 | |
| 95 | L | A | 1.4910 | |
| 96 | A | A | 1.3887 | |
| 97 | F | A | 1.9952 | |
| 98 | N | A | 0.3625 | |
| 99 | L | A | 0.8662 | |
| 100 | P | A | -0.3418 | |
| 101 | Q | A | -1.4672 | |
| 102 | G | A | -1.5018 | |
| 103 | R | A | -1.6753 | |
| 104 | L | A | 0.3847 | |
| 105 | P | A | 0.0235 | |
| 106 | P | A | -0.0875 | |
| 107 | W | A | 0.2396 | |
| 108 | R | A | -1.4493 | |
| 109 | T | A | -0.9856 | |
| 110 | P | A | -1.0230 | |
| 111 | A | A | -1.3624 | |
| 112 | Q | A | -2.2785 | |
| 113 | R | A | -2.7679 | |
| 114 | G | A | -1.8999 | |
| 115 | P | A | -1.3483 | |
| 116 | G | A | -1.1233 | |
| 117 | A | A | -1.2215 | |
| 118 | Q | A | -2.1930 | |
| 119 | E | A | -2.4158 | |
| 120 | A | A | -1.6136 | |
| 121 | S | A | -1.5304 | |
| 122 | E | A | -2.0787 | |
| 123 | S | A | -1.4075 | |
| 124 | S | A | -0.8224 | |
| 125 | S | A | -0.4569 | |
| 126 | T | A | -0.4460 | |
| 127 | P | A | -0.8513 | |
| 128 | G | A | -1.3253 | |
| 129 | N | A | -1.7974 | |
| 130 | G | A | -1.2292 | |
| 131 | T | A | -0.6826 | |
| 132 | T | A | -0.6634 | |
| 133 | P | A | -1.5508 | |
| 134 | E | A | -2.7848 | |
| 135 | E | A | -2.5331 | |
| 136 | C | A | -0.4665 | |
| 137 | P | A | -0.0447 | |
| 138 | A | A | 0.6358 | |
| 139 | L | A | 1.0474 | |
| 140 | T | A | -0.2641 | |
| 141 | D | A | -1.4286 | |
| 142 | S | A | -0.8299 | |
| 143 | P | A | -0.7697 | |
| 144 | T | A | -0.6856 | |
| 145 | T | A | -0.6874 | |
| 146 | L | A | 0.2095 | |
| 147 | T | A | -0.5539 | |
| 148 | E | A | -1.4923 | |
| 149 | A | A | -0.2105 | |
| 150 | L | A | -0.1759 | |
| 151 | Q | A | -1.1861 | |
| 152 | M | A | -0.0116 | |
| 153 | I | A | -0.4137 | |
| 154 | H | A | -1.3490 | |
| 155 | P | A | -1.5906 | |
| 156 | I | A | 0.0000 | |
| 157 | P | A | -1.4292 | |
| 158 | A | A | -1.4116 | |
| 159 | D | A | -2.1396 | |
| 160 | S | A | -1.7987 | |
| 161 | W | A | 0.0000 | |
| 162 | R | A | -1.9386 | |
| 163 | N | A | -2.7265 | |
| 164 | L | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | E | A | -2.7001 | |
| 167 | Q | A | -2.5079 | |
| 168 | I | A | -1.4494 | |
| 169 | G | A | -1.2845 | |
| 170 | L | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | Q | A | 0.0000 | |
| 174 | E | A | -1.5859 | |
| 175 | Y | A | -1.1669 | |
| 176 | R | A | -1.5938 | |
| 177 | D | A | -2.8907 | |
| 178 | K | A | -2.8735 | |
| 179 | S | A | -2.0069 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | -1.6508 | |
| 182 | Q | A | -2.8205 | |
| 183 | E | A | -2.9964 | |
| 184 | I | A | 0.0000 | |
| 185 | E | A | -3.1089 | |
| 186 | T | A | -2.2917 | |
| 187 | R | A | -2.3859 | |
| 188 | R | A | -2.9092 | |
| 189 | Q | A | -2.6557 | |
| 190 | Q | A | -2.3891 | |
| 191 | D | A | -2.1694 | |
| 192 | A | A | -2.1441 | |
| 193 | E | A | -3.0779 | |
| 194 | I | A | -2.2053 | |
| 195 | Q | A | -2.6209 | |
| 196 | G | A | -2.7893 | |
| 197 | N | A | -2.9509 | |
| 198 | S | A | -2.4931 | |
| 199 | D | A | -3.0670 | |
| 200 | G | A | -2.3727 | |
| 201 | S | A | -1.7595 | |
| 202 | Q | A | -2.0183 | |
| 203 | A | A | -1.5689 | |
| 204 | G | A | -2.1040 | |
| 205 | E | A | -3.3483 | |
| 206 | D | A | -3.3923 | |
| 207 | N | A | -2.9546 | |
| 208 | A | A | -2.2354 | |
| 209 | E | A | -3.3468 | |
| 210 | E | A | -4.0801 | |
| 211 | E | A | -4.4922 | |
| 212 | E | A | -4.3887 | |
| 213 | E | A | -4.3718 | |
| 214 | E | A | -4.3908 | |
| 215 | E | A | -4.3255 | |
| 216 | E | A | -3.9933 | |
| 217 | E | A | -3.1894 | |
| 218 | P | A | -1.6856 | |
| 219 | A | A | -0.6570 | |
| 220 | S | A | -0.9157 | |
| 221 | P | A | -1.0828 | |
| 222 | P | A | -2.0074 | |
| 223 | E | A | -3.4226 | |
| 224 | R | A | -3.4911 | |
| 225 | R | A | -2.8621 | |
| 226 | A | A | -0.9744 | |
| 227 | L | A | 0.6919 | |
| 228 | P | A | 0.2185 | |
| 229 | Q | A | 0.3168 | |
| 230 | I | A | 2.3854 | |
| 231 | C | A | 2.4806 | |
| 232 | L | A | 2.6033 | |
| 233 | L | A | 2.1332 | |
| 234 | S | A | 0.1016 | |
| 235 | N | A | -1.4304 | |
| 236 | P | A | -1.6594 | |
| 237 | H | A | -1.8727 | |
| 238 | S | A | -1.8556 | |
| 239 | R | A | -1.9361 | |
| 240 | F | A | -0.5764 | |
| 241 | N | A | -1.0578 | |
| 242 | L | A | -0.7307 | |
| 243 | W | A | 0.0000 | |
| 244 | Q | A | -1.5931 | |
| 245 | D | A | -2.0486 | |
| 246 | L | A | 0.0000 | |
| 247 | P | A | -1.3103 | |
| 248 | E | A | -1.2748 | |
| 249 | I | A | 0.0000 | |
| 250 | Q | A | -2.1123 | |
| 251 | S | A | -0.9523 | |
| 252 | S | A | -0.8282 | |
| 253 | G | A | -0.8152 | |
| 254 | V | A | 0.0000 | |
| 255 | L | A | -0.6102 | |
| 256 | D | A | -1.3989 | |
| 257 | I | A | 0.2951 | |
| 258 | L | A | -0.6867 | |
| 259 | Q | A | -2.0490 | |
| 260 | P | A | -2.1000 | |
| 261 | E | A | -3.3501 | |
| 262 | E | A | -2.3699 | |
| 263 | T | A | -1.7173 | |
| 264 | K | A | -2.7192 | |
| 265 | L | A | 0.0000 | |
| 266 | Q | A | 0.0000 | |
| 267 | E | A | -1.1920 | |
| 268 | A | A | 0.0000 | |
| 269 | M | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | E | A | -0.1479 | |
| 272 | L | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | E | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | Y | A | 0.0000 | |
| 281 | K | A | -0.9864 | |
| 282 | S | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | N | A | -0.3426 | |
| 285 | L | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | -0.8015 | |
| 289 | H | A | -1.0877 | |
| 290 | F | A | 0.0000 | |
| 291 | M | A | -1.3028 | |
| 292 | E | A | -2.5686 | |
| 293 | N | A | -2.9830 | |
| 294 | E | A | -4.1198 | |
| 295 | R | A | -3.9422 | |
| 296 | L | A | 0.0000 | |
| 297 | K | A | -4.1502 | |
| 298 | K | A | -3.6626 | |
| 299 | I | A | -2.0671 | |
| 300 | L | A | 0.0000 | |
| 301 | H | A | -1.9650 | |
| 302 | P | A | -1.5072 | |
| 303 | S | A | -0.9050 | |
| 304 | E | A | -0.8440 | |
| 305 | A | A | -1.0205 | |
| 306 | H | A | -0.9990 | |
| 307 | I | A | -0.2162 | |
| 308 | L | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | S | A | -0.2173 | |
| 311 | N | A | -0.2767 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | 0.7870 | |
| 314 | D | A | -0.8792 | |
| 315 | V | A | 0.0000 | |
| 316 | M | A | -0.1879 | |
| 317 | A | A | -0.4464 | |
| 318 | V | A | 0.0000 | |
| 319 | S | A | 0.0000 | |
| 320 | E | A | -1.1973 | |
| 321 | R | A | -1.4850 | |
| 322 | F | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | L | A | -0.9611 | |
| 325 | E | A | -1.8346 | |
| 326 | L | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | H | A | -2.1883 | |
| 329 | R | A | -1.9476 | |
| 330 | M | A | 0.0000 | |
| 331 | E | A | -2.5055 | |
| 332 | E | A | -2.8967 | |
| 333 | N | A | -1.9546 | |
| 334 | I | A | 0.0000 | |
| 335 | V | A | -0.3206 | |
| 336 | I | A | 0.0000 | |
| 337 | S | A | -0.6621 | |
| 338 | D | A | -0.7572 | |
| 339 | V | A | 0.0000 | |
| 340 | C | A | 0.0000 | |
| 341 | D | A | -1.1963 | |
| 342 | I | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | Y | A | -1.2590 | |
| 345 | R | A | -2.4259 | |
| 346 | Y | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | A | A | -1.6175 | |
| 349 | D | A | -2.3089 | |
| 350 | H | A | -1.9611 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | -0.4230 | |
| 353 | V | A | -0.2891 | |
| 354 | Y | A | 0.0000 | |
| 355 | I | A | 0.1574 | |
| 356 | T | A | -0.0546 | |
| 357 | Y | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | S | A | -0.3802 | |
| 360 | N | A | -0.0773 | |
| 361 | Q | A | -0.4470 | |
| 362 | T | A | -0.9346 | |
| 363 | Y | A | -0.8840 | |
| 364 | Q | A | 0.0000 | |
| 365 | E | A | -3.0811 | |
| 366 | R | A | -3.4046 | |
| 367 | T | A | -2.3005 | |
| 368 | Y | A | 0.0000 | |
| 369 | K | A | -3.9049 | |
| 370 | Q | A | -3.6501 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | -2.6288 | |
| 373 | Q | A | -3.0525 | |
| 374 | E | A | -3.2169 | |
| 375 | K | A | -2.2045 | |
| 376 | T | A | -1.6601 | |
| 377 | A | A | -1.3568 | |
| 378 | F | A | 0.0000 | |
| 379 | R | A | -2.6564 | |
| 380 | E | A | -2.5532 | |
| 381 | L | A | -1.8127 | |
| 382 | I | A | 0.0000 | |
| 383 | A | A | -1.1419 | |
| 384 | Q | A | -1.4116 | |
| 385 | L | A | 0.0000 | |
| 386 | E | A | -0.5692 | |
| 387 | L | A | 0.2725 | |
| 388 | D | A | -0.8814 | |
| 389 | P | A | -1.2719 | |
| 390 | K | A | -2.0854 | |
| 391 | C | A | 0.0000 | |
| 392 | K | A | -1.5722 | |
| 393 | G | A | -0.8654 | |
| 394 | L | A | -0.4913 | |
| 395 | P | A | -0.1504 | |
| 396 | L | A | 0.0000 | |
| 397 | S | A | -0.4529 | |
| 398 | S | A | 0.2024 | |
| 399 | F | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | I | A | 0.5666 | |
| 402 | L | A | 0.0000 | |
| 403 | P | A | 0.0000 | |
| 404 | F | A | 0.4768 | |
| 405 | Q | A | 0.1271 | |
| 406 | R | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | T | A | 0.0287 | |
| 409 | R | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | 0.0000 | |
| 412 | L | A | 0.5073 | |
| 413 | L | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | Q | A | -0.4443 | |
| 416 | N | A | -0.9510 | |
| 417 | I | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | K | A | -2.4696 | |
| 420 | R | A | -2.9128 | |
| 421 | V | A | 0.0000 | |
| 422 | E | A | -3.7617 | |
| 423 | E | A | -3.4857 | |
| 424 | G | A | -2.3163 | |
| 425 | S | A | -2.3859 | |
| 426 | E | A | -2.6896 | |
| 427 | R | A | -2.2056 | |
| 428 | E | A | 0.0000 | |
| 429 | G | A | -1.5842 | |
| 430 | T | A | -1.4046 | |
| 431 | A | A | 0.0000 | |
| 432 | L | A | -0.8499 | |
| 433 | D | A | -1.6117 | |
| 434 | A | A | 0.0000 | |
| 435 | H | A | 0.0000 | |
| 436 | K | A | -1.4001 | |
| 437 | E | A | -1.3245 | |
| 438 | L | A | 0.0000 | |
| 439 | E | A | -0.9060 | |
| 440 | M | A | -0.4898 | |
| 441 | V | A | 0.0000 | |
| 442 | V | A | -0.8011 | |
| 443 | K | A | -1.7376 | |
| 444 | A | A | -0.9774 | |
| 445 | C | A | 0.0000 | |
| 446 | N | A | -1.5773 | |
| 447 | E | A | -2.1375 | |
| 448 | G | A | -1.3725 | |
| 449 | V | A | -0.9640 | |
| 450 | R | A | -1.8651 | |
| 451 | K | A | -2.6416 | |
| 452 | M | A | -1.3849 | |
| 453 | S | A | -1.3791 | |
| 454 | R | A | -1.5656 | |
| 455 | T | A | -1.2240 | |
| 456 | E | A | -1.3241 | |
| 457 | Q | A | -0.9855 | |
| 458 | M | A | 0.0000 | |
| 459 | I | A | -0.3906 | |
| 460 | S | A | -1.0154 | |
| 461 | I | A | 0.0000 | |
| 462 | Q | A | -1.6515 | |
| 463 | K | A | -2.6589 | |
| 464 | K | A | -2.7636 | |
| 465 | M | A | 0.0000 | |
| 466 | E | A | -2.5388 | |
| 467 | F | A | -1.4605 | |
| 468 | K | A | -2.0458 | |
| 469 | I | A | -1.5580 | |
| 470 | K | A | -2.0718 | |
| 471 | S | A | -1.2695 | |
| 472 | V | A | -0.1794 | |
| 473 | P | A | -0.1577 | |
| 474 | I | A | 0.0000 | |
| 475 | I | A | 0.5698 | |
| 476 | S | A | -0.1074 | |
| 477 | H | A | -1.1922 | |
| 478 | S | A | -1.0074 | |
| 479 | R | A | -0.5583 | |
| 480 | W | A | -0.5353 | |
| 481 | L | A | 0.0000 | |
| 482 | L | A | -0.1196 | |
| 483 | K | A | 0.0000 | |
| 484 | Q | A | -0.7620 | |
| 485 | G | A | -1.1812 | |
| 486 | E | A | -2.7547 | |
| 487 | L | A | 0.0000 | |
| 488 | Q | A | -2.2957 | |
| 489 | Q | A | -1.7021 | |
| 490 | M | A | 0.0000 | |
| 491 | S | A | -1.2646 | |
| 492 | G | A | -0.9928 | |
| 493 | P | A | -1.5256 | |
| 494 | K | A | -2.1989 | |
| 495 | T | A | -1.6080 | |
| 496 | S | A | -1.6537 | |
| 497 | R | A | -2.5358 | |
| 498 | T | A | -2.2345 | |
| 499 | L | A | -1.8882 | |
| 500 | R | A | -2.7590 | |
| 501 | T | A | -2.4016 | |
| 502 | K | A | -3.0136 | |
| 503 | K | A | -3.0316 | |
| 504 | L | A | 0.0000 | |
| 505 | F | A | -2.1614 | |
| 506 | R | A | -3.4497 | |
| 507 | E | A | -3.6176 | |
| 508 | I | A | 0.0000 | |
| 509 | Y | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | F | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | F | A | 0.0000 | |
| 514 | N | A | -0.7637 | |
| 515 | D | A | -1.3103 | |
| 516 | L | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | V | A | 0.0000 | |
| 519 | I | A | 0.0000 | |
| 520 | C | A | 0.0000 | |
| 521 | R | A | -2.0348 | |
| 522 | Q | A | -2.5035 | |
| 523 | I | A | -1.4707 | |
| 524 | P | A | -1.2195 | |
| 525 | G | A | -1.7711 | |
| 526 | D | A | -2.8266 | |
| 527 | K | A | -2.9035 | |
| 528 | Y | A | 0.0000 | |
| 529 | Q | A | -1.6221 | |
| 530 | V | A | 0.0000 | |
| 531 | F | A | -0.5448 | |
| 532 | D | A | 0.0000 | |
| 533 | S | A | 0.0000 | |
| 534 | A | A | 0.0000 | |
| 535 | P | A | -0.8805 | |
| 536 | R | A | -1.0163 | |
| 537 | G | A | -1.0235 | |
| 538 | L | A | -0.9959 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -1.9773 | |
| 541 | V | A | -1.8985 | |
| 542 | E | A | -3.0007 | |
| 543 | E | A | -3.1180 | |
| 544 | L | A | -2.4195 | |
| 545 | E | A | -3.5197 | |
| 546 | D | A | -3.7201 | |
| 547 | Q | A | -2.9154 | |
| 548 | G | A | -2.3671 | |
| 549 | Q | A | -1.9736 | |
| 550 | T | A | -1.1480 | |
| 551 | L | A | -1.5467 | |
| 552 | A | A | -1.9350 | |
| 553 | N | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | I | A | -1.1253 | |
| 557 | L | A | 0.0000 | |
| 558 | R | A | -2.1644 | |
| 559 | L | A | 0.0000 | |
| 560 | L | A | -2.0290 | |
| 561 | E | A | -3.7313 | |
| 562 | N | A | -3.0924 | |
| 563 | A | A | -2.5796 | |
| 564 | D | A | -3.9743 | |
| 565 | D | A | -4.3906 | |
| 566 | R | A | -4.6141 | |
| 567 | E | A | -3.8980 | |
| 568 | A | A | 0.0000 | |
| 569 | T | A | -0.8217 | |
| 570 | Y | A | -0.2261 | |
| 571 | M | A | -0.3872 | |
| 572 | L | A | 0.0000 | |
| 573 | K | A | -1.0828 | |
| 574 | A | A | 0.0000 | |
| 575 | S | A | -0.8765 | |
| 576 | S | A | -1.1672 | |
| 577 | Q | A | -1.7174 | |
| 578 | S | A | 0.0000 | |
| 579 | E | A | -1.1916 | |
| 580 | M | A | 0.0000 | |
| 581 | K | A | -1.2019 | |
| 582 | R | A | 0.0000 | |
| 583 | W | A | 0.0000 | |
| 584 | M | A | -0.9680 | |
| 585 | T | A | -0.4612 | |
| 586 | S | A | -0.2826 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | -1.1878 | |
| 589 | P | A | -1.9180 | |
| 590 | N | A | -2.7901 | |
| 591 | R | A | -3.4447 | |
| 592 | R | A | -2.9999 | |
| 593 | T | A | -1.6369 | |
| 594 | K | A | -1.9763 | |
| 595 | F | A | 0.9380 | |
| 596 | V | A | 1.4277 | |
| 597 | S | A | 1.0351 | |
| 598 | F | A | 2.1367 | |
| 599 | T | A | 0.6817 | |
| 600 | S | A | 0.0000 | |
| 601 | R | A | -0.5771 | |
| 602 | L | A | 0.5105 | |
| 603 | L | A | 0.2321 | |
| 604 | D | A | -0.9995 | |
| 605 | C | A | 0.0000 | |
| 606 | P | A | -0.2626 | |
| 607 | Q | A | 0.0000 | |
| 608 | V | A | 0.0000 | |
| 609 | Q | A | 0.0000 | |
| 610 | C | A | 0.0000 | |
| 611 | V | A | -0.2560 | |
| 612 | H | A | -1.0758 | |
| 613 | P | A | -0.4769 | |
| 614 | Y | A | 0.0000 | |
| 615 | V | A | 1.1876 | |
| 616 | A | A | 0.0576 | |
| 617 | Q | A | -0.9991 | |
| 618 | Q | A | -0.9271 | |
| 619 | P | A | -0.7505 | |
| 620 | D | A | -0.7181 | |
| 621 | E | A | 0.0000 | |
| 622 | L | A | 0.0000 | |
| 623 | T | A | -0.0643 | |
| 624 | L | A | 0.0000 | |
| 625 | E | A | -1.0037 | |
| 626 | L | A | -0.7131 | |
| 627 | A | A | -0.7870 | |
| 628 | D | A | 0.0000 | |
| 629 | I | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | N | A | 0.0000 | |
| 632 | I | A | -0.6450 | |
| 633 | L | A | -0.2720 | |
| 634 | E | A | -1.7636 | |
| 635 | K | A | -2.6930 | |
| 636 | T | A | 0.0000 | |
| 637 | E | A | -2.9093 | |
| 638 | D | A | -2.4960 | |
| 639 | G | A | -1.6047 | |
| 640 | W | A | -1.2202 | |
| 641 | I | A | 0.0000 | |
| 642 | F | A | -0.5950 | |
| 643 | G | A | 0.0000 | |
| 644 | E | A | 0.0000 | |
| 645 | R | A | -1.0626 | |
| 646 | L | A | 0.0000 | |
| 647 | H | A | -0.6918 | |
| 648 | D | A | -1.5561 | |
| 649 | Q | A | -1.4401 | |
| 650 | E | A | -1.5593 | |
| 651 | R | A | -1.4186 | |
| 652 | G | A | 0.0000 | |
| 653 | W | A | 0.0000 | |
| 654 | F | A | 0.0000 | |
| 655 | P | A | -0.3181 | |
| 656 | S | A | -0.7995 | |
| 657 | S | A | -0.3882 | |
| 658 | M | A | -0.4430 | |
| 659 | T | A | 0.0000 | |
| 660 | E | A | -1.6098 | |
| 661 | E | A | -1.8537 | |
| 662 | I | A | 0.0000 | |
| 663 | L | A | 0.0052 | |
| 664 | N | A | 0.0000 | |
| 665 | P | A | -0.9817 | |
| 666 | K | A | -1.9647 | |
| 667 | I | A | 0.0000 | |
| 668 | R | A | -1.1489 | |
| 669 | S | A | -1.2939 | |
| 670 | Q | A | -1.6671 | |
| 671 | N | A | 0.0000 | |
| 672 | L | A | 0.0000 | |
| 673 | K | A | -1.1023 | |
| 674 | E | A | -1.1678 | |
| 675 | C | A | -0.5245 | |
| 676 | F | A | -0.1961 | |
| 677 | R | A | -0.5622 | |
| 678 | V | A | 0.0000 | |
| 679 | H | A | -1.2619 | |
| 680 | K | A | -1.5451 | |
| 681 | M | A | -1.4089 | |
| 682 | E | A | -2.8697 | |
| 683 | D | A | -3.3633 | |
| 684 | P | A | -2.7446 | |
| 685 | Q | A | -3.5681 | |
| 686 | R | A | -4.3455 | |
| 687 | S | A | -3.1505 | |
| 688 | Q | A | -3.7439 | |
| 689 | N | A | -4.2866 | |
| 690 | K | A | -4.5192 | |
| 691 | D | A | -3.6446 | |
| 692 | R | A | -4.1584 | |
| 693 | R | A | -4.2723 | |
| 694 | K | A | -3.1433 | |
| 695 | L | A | -1.8052 | |
| 696 | G | A | -2.7772 | |
| 697 | S | A | -2.8318 | |
| 698 | R | A | -3.4557 | |
| 699 | N | A | -3.2983 | |
| 700 | R | A | -3.6913 | |
| 701 | Q | A | -2.8243 |
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 | -1.0585 | 5.2056 | View | CSV | PDB |
| 4.5 | -1.1458 | 5.2056 | View | CSV | PDB |
| 5.0 | -1.2606 | 5.2056 | View | CSV | PDB |
| 5.5 | -1.38 | 5.2056 | View | CSV | PDB |
| 6.0 | -1.4793 | 5.2056 | View | CSV | PDB |
| 6.5 | -1.5408 | 5.2056 | View | CSV | PDB |
| 7.0 | -1.5605 | 5.2056 | View | CSV | PDB |
| 7.5 | -1.549 | 5.2056 | View | CSV | PDB |
| 8.0 | -1.5202 | 5.2056 | View | CSV | PDB |
| 8.5 | -1.4818 | 5.2056 | View | CSV | PDB |
| 9.0 | -1.4356 | 5.2056 | 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