| Chain sequence(s) | MDELAGGGGGGQGMAAPPRPQQGPGGNLSLPPGANGAPGGGGPPAAEAAGPPAGPELSRPQQYTIPGILHYIQHEWARFEMERAHWEVERAELQARIAFLQGERKGQENLKKDLVRRIKMLEYALKQERAKYHKLKYGTELNQGDLKMPTFESEETKDVEAPPAPQNSQLTWKQGRQLLRQYLQEVGYTDTILDVRSQRVRSLLGLSNSEPNGSVEAKNLEQILNGGESPKQKGQEIKRPPGDVLETFNFLENADDSDEEENDMIEGIPEGKDKLRIHKHKIGNEGLAADLTDDPDTEEALKEFDFLVTAEDGEGAGEARSSGDGTEWDKDDLSPTAEVWDVDQGLISKLKEQYKKERKGKKGVKRVNRTNLCDMITDLGDDELPHIPSGIINQSRSASTRMADHEGARAEEAEPITFPSGGGKSFIMGSDDVLLSVLGLGDLADLTVTNDADYSYDLPANKDAFRKTWNPKYTLRSHFDGVRALAFHPVEPVLVTASEDHTLKLWNLQKTVPAKKSASLDVEPIYTFRAHIGPVLSLAISSNGEQCFSGGIDATIQWWNMPSPNVDPYDTYESNVLAGTLVAHTDAVWGLAYSGIKNQLLSCSADGTIRLWNPQEKLPCVCTYNGDKEHGIPTSVDFIGCDPAHMVTSFNTGSAVIYDLETSQSLVMLSSQVDSGLQSSNHINRVVSHPTLPVTITAHEDRHIKFFDNKTGKMIHSMVAHLDAVTSLAVDPNGIYLMSGSHDCSIRLWNLDSKTCVQEITAHRKKLDESIYDVAFHPSKAYIASAGADALAKVFV 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 (00:10:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e88cf320edcf9/tmp/folded.pdb (00:10:09)
[INFO] Main: Simulation completed successfully. (00:14:22)
|
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 | -0.3705 | |
| 2 | D | A | -1.8541 | |
| 3 | E | A | -1.7897 | |
| 4 | L | A | 0.2153 | |
| 5 | A | A | 0.2109 | |
| 6 | G | A | -0.4297 | |
| 7 | G | A | -1.1075 | |
| 8 | G | A | -1.1735 | |
| 9 | G | A | -1.1665 | |
| 10 | G | A | -1.3435 | |
| 11 | G | A | -1.4660 | |
| 12 | Q | A | -1.5177 | |
| 13 | G | A | -0.6228 | |
| 14 | M | A | 0.6242 | |
| 15 | A | A | 0.4471 | |
| 16 | A | A | 0.1251 | |
| 17 | P | A | -0.6938 | |
| 18 | P | A | -1.4516 | |
| 19 | R | A | -2.4313 | |
| 20 | P | A | -2.0090 | |
| 21 | Q | A | -2.5007 | |
| 22 | Q | A | -2.1523 | |
| 23 | G | A | -1.6402 | |
| 24 | P | A | -1.2192 | |
| 25 | G | A | -1.0637 | |
| 26 | G | A | -1.0629 | |
| 27 | N | A | -0.8359 | |
| 28 | L | A | 0.9505 | |
| 29 | S | A | 0.9404 | |
| 30 | L | A | 1.5926 | |
| 31 | P | A | 0.5204 | |
| 32 | P | A | -0.2090 | |
| 33 | G | A | -0.8754 | |
| 34 | A | A | -0.9605 | |
| 35 | N | A | -1.5520 | |
| 36 | G | A | -1.1060 | |
| 37 | A | A | -0.7317 | |
| 38 | P | A | -0.6665 | |
| 39 | G | A | -0.9167 | |
| 40 | G | A | -1.0870 | |
| 41 | G | A | -1.0816 | |
| 42 | G | A | -0.9642 | |
| 43 | P | A | -0.7537 | |
| 44 | P | A | -0.4565 | |
| 45 | A | A | -0.4850 | |
| 46 | A | A | -0.9786 | |
| 47 | E | A | -1.7353 | |
| 48 | A | A | -0.8682 | |
| 49 | A | A | -0.5693 | |
| 50 | G | A | -0.5911 | |
| 51 | P | A | -0.5875 | |
| 52 | P | A | -0.5409 | |
| 53 | A | A | -0.3889 | |
| 54 | G | A | -0.9705 | |
| 55 | P | A | -1.0048 | |
| 56 | E | A | -1.6195 | |
| 57 | L | A | -0.0467 | |
| 58 | S | A | -1.0227 | |
| 59 | R | A | -2.4311 | |
| 60 | P | A | -1.7619 | |
| 61 | Q | A | -2.0264 | |
| 62 | Q | A | -1.2937 | |
| 63 | Y | A | 1.0201 | |
| 64 | T | A | 1.0972 | |
| 65 | I | A | 2.5463 | |
| 66 | P | A | 1.4778 | |
| 67 | G | A | 1.1595 | |
| 68 | I | A | 2.0831 | |
| 69 | L | A | 2.0931 | |
| 70 | H | A | 0.3759 | |
| 71 | Y | A | 1.4450 | |
| 72 | I | A | 0.9325 | |
| 73 | Q | A | -0.4618 | |
| 74 | H | A | -0.8123 | |
| 75 | E | A | -0.5170 | |
| 76 | W | A | -0.1457 | |
| 77 | A | A | -1.1824 | |
| 78 | R | A | -2.2690 | |
| 79 | F | A | -1.4873 | |
| 80 | E | A | -2.3780 | |
| 81 | M | A | -1.7252 | |
| 82 | E | A | -3.0258 | |
| 83 | R | A | -3.2383 | |
| 84 | A | A | -2.0812 | |
| 85 | H | A | -1.8255 | |
| 86 | W | A | -1.4919 | |
| 87 | E | A | -1.9339 | |
| 88 | V | A | -0.3763 | |
| 89 | E | A | -1.5341 | |
| 90 | R | A | -1.2466 | |
| 91 | A | A | -0.8614 | |
| 92 | E | A | -1.8619 | |
| 93 | L | A | -0.3096 | |
| 94 | Q | A | -0.0926 | |
| 95 | A | A | -0.3643 | |
| 96 | R | A | -0.5843 | |
| 97 | I | A | 1.1664 | |
| 98 | A | A | 0.3824 | |
| 99 | F | A | 0.4057 | |
| 100 | L | A | -0.4737 | |
| 101 | Q | A | -1.7757 | |
| 102 | G | A | -1.8764 | |
| 103 | E | A | -3.3605 | |
| 104 | R | A | -3.9945 | |
| 105 | K | A | -3.4905 | |
| 106 | G | A | -3.3880 | |
| 107 | Q | A | -3.8698 | |
| 108 | E | A | -3.7682 | |
| 109 | N | A | -2.8295 | |
| 110 | L | A | -1.3667 | |
| 111 | K | A | -2.2552 | |
| 112 | K | A | -2.4677 | |
| 113 | D | A | -1.4681 | |
| 114 | L | A | -0.0142 | |
| 115 | V | A | 0.5988 | |
| 116 | R | A | -1.2424 | |
| 117 | R | A | -1.0886 | |
| 118 | I | A | 1.4418 | |
| 119 | K | A | 0.2138 | |
| 120 | M | A | 0.5347 | |
| 121 | L | A | 1.3698 | |
| 122 | E | A | 0.1678 | |
| 123 | Y | A | -0.2221 | |
| 124 | A | A | -0.1145 | |
| 125 | L | A | -1.0721 | |
| 126 | K | A | -1.9772 | |
| 127 | Q | A | -2.2998 | |
| 128 | E | A | -3.3844 | |
| 129 | R | A | -3.1581 | |
| 130 | A | A | 0.0000 | |
| 131 | K | A | -3.1841 | |
| 132 | Y | A | -1.5696 | |
| 133 | H | A | -1.7989 | |
| 134 | K | A | -2.1645 | |
| 135 | L | A | -0.3103 | |
| 136 | K | A | -0.9265 | |
| 137 | Y | A | 0.1411 | |
| 138 | G | A | -0.6008 | |
| 139 | T | A | -1.4274 | |
| 140 | E | A | -2.2579 | |
| 141 | L | A | -1.6264 | |
| 142 | N | A | -1.8907 | |
| 143 | Q | A | -1.7469 | |
| 144 | G | A | -1.8380 | |
| 145 | D | A | -2.4212 | |
| 146 | L | A | -1.4186 | |
| 147 | K | A | -1.5905 | |
| 148 | M | A | 0.2303 | |
| 149 | P | A | -0.1363 | |
| 150 | T | A | -0.1252 | |
| 151 | F | A | 0.0615 | |
| 152 | E | A | -1.9179 | |
| 153 | S | A | -2.3578 | |
| 154 | E | A | -3.3968 | |
| 155 | E | A | -3.9000 | |
| 156 | T | A | -3.2325 | |
| 157 | K | A | -3.2659 | |
| 158 | D | A | -2.5201 | |
| 159 | V | A | -0.5318 | |
| 160 | E | A | -1.6020 | |
| 161 | A | A | -0.8772 | |
| 162 | P | A | -0.7847 | |
| 163 | P | A | -0.7306 | |
| 164 | A | A | -0.7290 | |
| 165 | P | A | -1.1379 | |
| 166 | Q | A | -2.1720 | |
| 167 | N | A | -2.0931 | |
| 168 | S | A | -1.2538 | |
| 169 | Q | A | -1.0167 | |
| 170 | L | A | 0.1557 | |
| 171 | T | A | -0.4092 | |
| 172 | W | A | -0.3374 | |
| 173 | K | A | -2.0876 | |
| 174 | Q | A | -1.8607 | |
| 175 | G | A | -1.3792 | |
| 176 | R | A | -2.5669 | |
| 177 | Q | A | -2.2456 | |
| 178 | L | A | -0.3170 | |
| 179 | L | A | -0.6555 | |
| 180 | R | A | -1.9004 | |
| 181 | Q | A | -1.2571 | |
| 182 | Y | A | 0.4417 | |
| 183 | L | A | 0.1077 | |
| 184 | Q | A | -1.4088 | |
| 185 | E | A | -1.2877 | |
| 186 | V | A | 0.7139 | |
| 187 | G | A | -0.2362 | |
| 188 | Y | A | 0.1047 | |
| 189 | T | A | -0.9288 | |
| 190 | D | A | -1.7775 | |
| 191 | T | A | -0.9842 | |
| 192 | I | A | -0.4469 | |
| 193 | L | A | -0.9320 | |
| 194 | D | A | -2.1797 | |
| 195 | V | A | -1.3367 | |
| 196 | R | A | -2.1832 | |
| 197 | S | A | -1.5632 | |
| 198 | Q | A | -1.7240 | |
| 199 | R | A | -1.7471 | |
| 200 | V | A | 0.3924 | |
| 201 | R | A | -0.3081 | |
| 202 | S | A | -0.0480 | |
| 203 | L | A | 1.8417 | |
| 204 | L | A | 2.0860 | |
| 205 | G | A | 0.8477 | |
| 206 | L | A | 1.0426 | |
| 207 | S | A | -0.4105 | |
| 208 | N | A | -1.7454 | |
| 209 | S | A | -1.6258 | |
| 210 | E | A | -2.5907 | |
| 211 | P | A | -2.1142 | |
| 212 | N | A | -2.0198 | |
| 213 | G | A | -0.8797 | |
| 214 | S | A | -0.2886 | |
| 215 | V | A | 0.7054 | |
| 216 | E | A | -1.4718 | |
| 217 | A | A | -1.4778 | |
| 218 | K | A | -2.5709 | |
| 219 | N | A | -2.1426 | |
| 220 | L | A | -0.6410 | |
| 221 | E | A | -1.3658 | |
| 222 | Q | A | -0.4776 | |
| 223 | I | A | 1.5477 | |
| 224 | L | A | 1.2731 | |
| 225 | N | A | -0.8060 | |
| 226 | G | A | -1.5130 | |
| 227 | G | A | -2.0988 | |
| 228 | E | A | -2.5094 | |
| 229 | S | A | -1.6603 | |
| 230 | P | A | -1.7760 | |
| 231 | K | A | -2.8939 | |
| 232 | Q | A | -3.0773 | |
| 233 | K | A | -3.0902 | |
| 234 | G | A | -2.4392 | |
| 235 | Q | A | -2.2744 | |
| 236 | E | A | -1.8907 | |
| 237 | I | A | -0.2325 | |
| 238 | K | A | -2.0129 | |
| 239 | R | A | -2.4843 | |
| 240 | P | A | -1.8636 | |
| 241 | P | A | -1.4570 | |
| 242 | G | A | -1.1240 | |
| 243 | D | A | -1.2050 | |
| 244 | V | A | 1.0291 | |
| 245 | L | A | 1.4164 | |
| 246 | E | A | -0.6963 | |
| 247 | T | A | 0.8117 | |
| 248 | F | A | 1.7678 | |
| 249 | N | A | 0.2445 | |
| 250 | F | A | 1.9909 | |
| 251 | L | A | 1.2851 | |
| 252 | E | A | -1.4510 | |
| 253 | N | A | -2.1489 | |
| 254 | A | A | -1.8849 | |
| 255 | D | A | -3.4505 | |
| 256 | D | A | -3.5124 | |
| 257 | S | A | -3.1580 | |
| 258 | D | A | -4.0165 | |
| 259 | E | A | -4.4413 | |
| 260 | E | A | -4.3096 | |
| 261 | E | A | -4.3878 | |
| 262 | N | A | -3.4529 | |
| 263 | D | A | -1.8880 | |
| 264 | M | A | 0.5063 | |
| 265 | I | A | 1.1001 | |
| 266 | E | A | -0.2783 | |
| 267 | G | A | 0.0022 | |
| 268 | I | A | 0.8833 | |
| 269 | P | A | -0.1986 | |
| 270 | E | A | -2.1850 | |
| 271 | G | A | -2.7479 | |
| 272 | K | A | -3.5871 | |
| 273 | D | A | -3.2120 | |
| 274 | K | A | -2.6164 | |
| 275 | L | A | -0.1762 | |
| 276 | R | A | -0.9702 | |
| 277 | I | A | 0.4506 | |
| 278 | H | A | -1.4226 | |
| 279 | K | A | -2.6343 | |
| 280 | H | A | -2.1859 | |
| 281 | K | A | -2.0022 | |
| 282 | I | A | 0.0562 | |
| 283 | G | A | -1.1194 | |
| 284 | N | A | -2.0585 | |
| 285 | E | A | -2.1793 | |
| 286 | G | A | -0.7424 | |
| 287 | L | A | 0.4666 | |
| 288 | A | A | 0.1871 | |
| 289 | A | A | 0.0054 | |
| 290 | D | A | -0.7567 | |
| 291 | L | A | 0.0463 | |
| 292 | T | A | -0.8777 | |
| 293 | D | A | -2.6271 | |
| 294 | D | A | -3.3100 | |
| 295 | P | A | -3.2612 | |
| 296 | D | A | -3.5606 | |
| 297 | T | A | -2.9564 | |
| 298 | E | A | -3.9778 | |
| 299 | E | A | -3.7661 | |
| 300 | A | A | -1.8846 | |
| 301 | L | A | -0.9737 | |
| 302 | K | A | -2.4586 | |
| 303 | E | A | -1.9185 | |
| 304 | F | A | 0.6337 | |
| 305 | D | A | 0.0019 | |
| 306 | F | A | 2.2012 | |
| 307 | L | A | 3.2324 | |
| 308 | V | A | 2.7550 | |
| 309 | T | A | 1.1853 | |
| 310 | A | A | -0.5950 | |
| 311 | E | A | -2.7573 | |
| 312 | D | A | -3.3060 | |
| 313 | G | A | -2.8875 | |
| 314 | E | A | -2.7179 | |
| 315 | G | A | -1.7139 | |
| 316 | A | A | -1.2887 | |
| 317 | G | A | -1.4877 | |
| 318 | E | A | -2.4728 | |
| 319 | A | A | -2.0492 | |
| 320 | R | A | -2.4297 | |
| 321 | S | A | -1.4538 | |
| 322 | S | A | -1.4274 | |
| 323 | G | A | -1.7887 | |
| 324 | D | A | -2.3487 | |
| 325 | G | A | -2.0596 | |
| 326 | T | A | -1.4458 | |
| 327 | E | A | -1.7659 | |
| 328 | W | A | -1.1159 | |
| 329 | D | A | -2.8160 | |
| 330 | K | A | -3.7417 | |
| 331 | D | A | -3.6317 | |
| 332 | D | A | -2.3650 | |
| 333 | L | A | 0.1417 | |
| 334 | S | A | 0.0356 | |
| 335 | P | A | -0.0462 | |
| 336 | T | A | -0.6030 | |
| 337 | A | A | -0.4167 | |
| 338 | E | A | -0.9334 | |
| 339 | V | A | 1.1191 | |
| 340 | W | A | 0.9726 | |
| 341 | D | A | -0.8355 | |
| 342 | V | A | 0.1198 | |
| 343 | D | A | -1.6114 | |
| 344 | Q | A | -1.6951 | |
| 345 | G | A | -1.1998 | |
| 346 | L | A | -0.2658 | |
| 347 | I | A | -0.5476 | |
| 348 | S | A | -1.8035 | |
| 349 | K | A | -2.3503 | |
| 350 | L | A | -1.5477 | |
| 351 | K | A | -2.8420 | |
| 352 | E | A | -3.6190 | |
| 353 | Q | A | -3.3615 | |
| 354 | Y | A | -2.9146 | |
| 355 | K | A | -4.8038 | |
| 356 | K | A | -5.1890 | |
| 357 | E | A | -4.9791 | |
| 358 | R | A | -5.1538 | |
| 359 | K | A | -5.0319 | |
| 360 | G | A | -4.3089 | |
| 361 | K | A | -4.0203 | |
| 362 | K | A | -3.2157 | |
| 363 | G | A | -1.3914 | |
| 364 | V | A | -0.2960 | |
| 365 | K | A | -1.6743 | |
| 366 | R | A | -1.8132 | |
| 367 | V | A | -0.4680 | |
| 368 | N | A | -2.2419 | |
| 369 | R | A | -2.6843 | |
| 370 | T | A | -1.7843 | |
| 371 | N | A | -1.9279 | |
| 372 | L | A | -0.8651 | |
| 373 | C | A | -0.0868 | |
| 374 | D | A | -1.0978 | |
| 375 | M | A | 0.6977 | |
| 376 | I | A | 1.6621 | |
| 377 | T | A | 0.3304 | |
| 378 | D | A | -0.9044 | |
| 379 | L | A | 0.3638 | |
| 380 | G | A | -1.5335 | |
| 381 | D | A | -2.9685 | |
| 382 | D | A | -3.1506 | |
| 383 | E | A | -2.3461 | |
| 384 | L | A | -0.3219 | |
| 385 | P | A | 0.1594 | |
| 386 | H | A | 0.1998 | |
| 387 | I | A | 1.3086 | |
| 388 | P | A | 0.2563 | |
| 389 | S | A | 0.2407 | |
| 390 | G | A | 0.7736 | |
| 391 | I | A | 2.4817 | |
| 392 | I | A | 2.0639 | |
| 393 | N | A | -0.5538 | |
| 394 | Q | A | -1.8998 | |
| 395 | S | A | -1.9958 | |
| 396 | R | A | -2.2655 | |
| 397 | S | A | -0.9628 | |
| 398 | A | A | -0.7134 | |
| 399 | S | A | -1.0872 | |
| 400 | T | A | -1.5236 | |
| 401 | R | A | -1.2174 | |
| 402 | M | A | -0.1002 | |
| 403 | A | A | -0.5825 | |
| 404 | D | A | -1.7367 | |
| 405 | H | A | -2.4191 | |
| 406 | E | A | -2.3039 | |
| 407 | G | A | -2.1394 | |
| 408 | A | A | -1.9649 | |
| 409 | R | A | -2.6291 | |
| 410 | A | A | -2.1230 | |
| 411 | E | A | -3.0103 | |
| 412 | E | A | -2.9802 | |
| 413 | A | A | -2.0982 | |
| 414 | E | A | -1.8641 | |
| 415 | P | A | -0.1615 | |
| 416 | I | A | 1.8755 | |
| 417 | T | A | 1.7010 | |
| 418 | F | A | 2.0960 | |
| 419 | P | A | 0.5935 | |
| 420 | S | A | -0.2730 | |
| 421 | G | A | -0.9850 | |
| 422 | G | A | -1.3467 | |
| 423 | G | A | -1.6680 | |
| 424 | K | A | -1.7045 | |
| 425 | S | A | 0.2721 | |
| 426 | F | A | 2.5807 | |
| 427 | I | A | 3.2956 | |
| 428 | M | A | 2.1235 | |
| 429 | G | A | 0.2062 | |
| 430 | S | A | -1.3092 | |
| 431 | D | A | -2.2609 | |
| 432 | D | A | -1.1413 | |
| 433 | V | A | 1.5100 | |
| 434 | L | A | 2.5420 | |
| 435 | L | A | 2.9595 | |
| 436 | S | A | 2.2728 | |
| 437 | V | A | 3.0274 | |
| 438 | L | A | 2.5301 | |
| 439 | G | A | 1.3041 | |
| 440 | L | A | 1.3493 | |
| 441 | G | A | -0.1490 | |
| 442 | D | A | -1.1146 | |
| 443 | L | A | 0.3102 | |
| 444 | A | A | -0.2938 | |
| 445 | D | A | -0.9127 | |
| 446 | L | A | 1.2020 | |
| 447 | T | A | 1.1477 | |
| 448 | V | A | 1.2208 | |
| 449 | T | A | -0.4767 | |
| 450 | N | A | -1.6661 | |
| 451 | D | A | -2.4794 | |
| 452 | A | A | -1.5343 | |
| 453 | D | A | -1.7956 | |
| 454 | Y | A | 0.4399 | |
| 455 | S | A | 0.5128 | |
| 456 | Y | A | 0.9463 | |
| 457 | D | A | -0.3859 | |
| 458 | L | A | 0.6737 | |
| 459 | P | A | -0.3108 | |
| 460 | A | A | -1.2236 | |
| 461 | N | A | -2.2913 | |
| 462 | K | A | -2.9462 | |
| 463 | D | A | -2.5314 | |
| 464 | A | A | -1.2828 | |
| 465 | F | A | -0.1703 | |
| 466 | R | A | -1.8913 | |
| 467 | K | A | -2.0981 | |
| 468 | T | A | -1.4523 | |
| 469 | W | A | -1.2075 | |
| 470 | N | A | -1.5221 | |
| 471 | P | A | -1.0681 | |
| 472 | K | A | -0.9350 | |
| 473 | Y | A | 0.0000 | |
| 474 | T | A | -0.5654 | |
| 475 | L | A | 0.0000 | |
| 476 | R | A | -0.9468 | |
| 477 | S | A | -0.2352 | |
| 478 | H | A | 0.0000 | |
| 479 | F | A | 1.1543 | |
| 480 | D | A | -0.3110 | |
| 481 | G | A | 0.0000 | |
| 482 | V | A | 0.0000 | |
| 483 | R | A | -0.5756 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | A | A | 0.0463 | |
| 487 | F | A | 0.0000 | |
| 488 | H | A | -0.3636 | |
| 489 | P | A | -0.1550 | |
| 490 | V | A | 0.8716 | |
| 491 | E | A | -0.3745 | |
| 492 | P | A | -0.5734 | |
| 493 | V | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | V | A | 0.0000 | |
| 496 | T | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | S | A | 0.0000 | |
| 499 | E | A | -0.6386 | |
| 500 | D | A | -0.5143 | |
| 501 | H | A | -0.6141 | |
| 502 | T | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | K | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | W | A | 0.0000 | |
| 507 | N | A | 0.0000 | |
| 508 | L | A | 0.0000 | |
| 509 | Q | A | -1.4638 | |
| 510 | K | A | -1.2257 | |
| 511 | T | A | -0.3436 | |
| 512 | V | A | 0.2396 | |
| 513 | P | A | -0.5152 | |
| 514 | A | A | -1.2017 | |
| 515 | K | A | -2.4821 | |
| 516 | K | A | -2.5645 | |
| 517 | S | A | -1.4436 | |
| 518 | A | A | -0.6426 | |
| 519 | S | A | -0.4798 | |
| 520 | L | A | -0.1823 | |
| 521 | D | A | -0.7974 | |
| 522 | V | A | 0.0000 | |
| 523 | E | A | -0.8003 | |
| 524 | P | A | -0.4929 | |
| 525 | I | A | 0.0000 | |
| 526 | Y | A | -0.3400 | |
| 527 | T | A | -0.3702 | |
| 528 | F | A | 0.0000 | |
| 529 | R | A | -1.6296 | |
| 530 | A | A | -0.4244 | |
| 531 | H | A | 0.0000 | |
| 532 | I | A | 1.6736 | |
| 533 | G | A | 0.8189 | |
| 534 | P | A | 0.0574 | |
| 535 | V | A | 0.0000 | |
| 536 | L | A | 0.2646 | |
| 537 | S | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | I | A | -0.3617 | |
| 541 | S | A | 0.0000 | |
| 542 | S | A | -0.9287 | |
| 543 | N | A | -1.8662 | |
| 544 | G | A | 0.0000 | |
| 545 | E | A | -2.4435 | |
| 546 | Q | A | -1.3364 | |
| 547 | C | A | 0.0000 | |
| 548 | F | A | 0.0000 | |
| 549 | S | A | 0.0000 | |
| 550 | G | A | 0.0000 | |
| 551 | G | A | 0.0000 | |
| 552 | I | A | 1.1601 | |
| 553 | D | A | 0.7409 | |
| 554 | A | A | 0.3676 | |
| 555 | T | A | 0.7680 | |
| 556 | I | A | 0.0000 | |
| 557 | Q | A | 0.0000 | |
| 558 | W | A | 0.1826 | |
| 559 | W | A | 0.0000 | |
| 560 | N | A | -1.1156 | |
| 561 | M | A | -0.8277 | |
| 562 | P | A | 0.0000 | |
| 563 | S | A | -0.9687 | |
| 564 | P | A | -1.1973 | |
| 565 | N | A | -1.7188 | |
| 566 | V | A | -1.3895 | |
| 567 | D | A | -2.0093 | |
| 568 | P | A | -0.9045 | |
| 569 | Y | A | 0.0822 | |
| 570 | D | A | -1.4647 | |
| 571 | T | A | -0.3901 | |
| 572 | Y | A | 0.5458 | |
| 573 | E | A | -0.6057 | |
| 574 | S | A | -0.5639 | |
| 575 | N | A | -1.2625 | |
| 576 | V | A | 0.0000 | |
| 577 | L | A | -0.2895 | |
| 578 | A | A | -0.2121 | |
| 579 | G | A | 0.0717 | |
| 580 | T | A | 0.5034 | |
| 581 | L | A | 0.0000 | |
| 582 | V | A | 1.7282 | |
| 583 | A | A | 0.7066 | |
| 584 | H | A | 0.0000 | |
| 585 | T | A | -0.3065 | |
| 586 | D | A | -0.9977 | |
| 587 | A | A | 0.0000 | |
| 588 | V | A | 0.0000 | |
| 589 | W | A | 0.5926 | |
| 590 | G | A | 0.2021 | |
| 591 | L | A | 0.2613 | |
| 592 | A | A | 0.1072 | |
| 593 | Y | A | 0.0013 | |
| 594 | S | A | 0.0000 | |
| 595 | G | A | -0.3486 | |
| 596 | I | A | 0.9873 | |
| 597 | K | A | -0.5404 | |
| 598 | N | A | -1.4957 | |
| 599 | Q | A | -0.6028 | |
| 600 | L | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | S | A | 0.0000 | |
| 603 | C | A | 0.0000 | |
| 604 | S | A | 0.0000 | |
| 605 | A | A | -0.0560 | |
| 606 | D | A | 0.0000 | |
| 607 | G | A | 0.0000 | |
| 608 | T | A | 0.0000 | |
| 609 | I | A | 0.0000 | |
| 610 | R | A | 0.1155 | |
| 611 | L | A | 0.0000 | |
| 612 | W | A | 0.0000 | |
| 613 | N | A | 0.0000 | |
| 614 | P | A | 0.0000 | |
| 615 | Q | A | -2.2344 | |
| 616 | E | A | -2.1611 | |
| 617 | K | A | -1.9207 | |
| 618 | L | A | 0.3772 | |
| 619 | P | A | 0.0829 | |
| 620 | C | A | 1.1156 | |
| 621 | V | A | 1.6585 | |
| 622 | C | A | 0.6143 | |
| 623 | T | A | 0.1617 | |
| 624 | Y | A | 0.0000 | |
| 625 | N | A | 0.0000 | |
| 626 | G | A | -2.1360 | |
| 627 | D | A | -3.2629 | |
| 628 | K | A | -3.1878 | |
| 629 | E | A | -3.1517 | |
| 630 | H | A | -1.7184 | |
| 631 | G | A | -1.4029 | |
| 632 | I | A | -0.4431 | |
| 633 | P | A | 0.0000 | |
| 634 | T | A | -0.3277 | |
| 635 | S | A | 0.0000 | |
| 636 | V | A | 0.0000 | |
| 637 | D | A | -0.2643 | |
| 638 | F | A | -0.1923 | |
| 639 | I | A | 0.0000 | |
| 640 | G | A | -0.1323 | |
| 641 | C | A | 0.0827 | |
| 642 | D | A | -0.5567 | |
| 643 | P | A | -0.2175 | |
| 644 | A | A | -0.7950 | |
| 645 | H | A | -0.6401 | |
| 646 | M | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | T | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | F | A | 0.0000 | |
| 651 | N | A | -1.1050 | |
| 652 | T | A | -0.7154 | |
| 653 | G | A | -1.0296 | |
| 654 | S | A | 0.0000 | |
| 655 | A | A | 0.0000 | |
| 656 | V | A | 0.0000 | |
| 657 | I | A | 0.0000 | |
| 658 | Y | A | 0.0000 | |
| 659 | D | A | -0.9712 | |
| 660 | L | A | -0.9352 | |
| 661 | E | A | -2.0298 | |
| 662 | T | A | -1.2606 | |
| 663 | S | A | -1.1452 | |
| 664 | Q | A | -1.2234 | |
| 665 | S | A | -0.1361 | |
| 666 | L | A | 0.3698 | |
| 667 | V | A | 0.3926 | |
| 668 | M | A | 0.7399 | |
| 669 | L | A | 0.0000 | |
| 670 | S | A | -0.2924 | |
| 671 | S | A | -0.3939 | |
| 672 | Q | A | -1.0502 | |
| 673 | V | A | 0.1851 | |
| 674 | D | A | -1.2639 | |
| 675 | S | A | -0.6261 | |
| 676 | G | A | -0.3001 | |
| 677 | L | A | 0.5979 | |
| 678 | Q | A | -0.5895 | |
| 679 | S | A | -0.6041 | |
| 680 | S | A | -1.1698 | |
| 681 | N | A | -1.4049 | |
| 682 | H | A | -1.5267 | |
| 683 | I | A | 0.0000 | |
| 684 | N | A | -1.0050 | |
| 685 | R | A | -0.7116 | |
| 686 | V | A | 0.0000 | |
| 687 | V | A | 0.0444 | |
| 688 | S | A | 0.0000 | |
| 689 | H | A | 0.0000 | |
| 690 | P | A | -0.0454 | |
| 691 | T | A | 0.1504 | |
| 692 | L | A | 1.0845 | |
| 693 | P | A | 0.0527 | |
| 694 | V | A | 0.4295 | |
| 695 | T | A | 0.0000 | |
| 696 | I | A | 0.0000 | |
| 697 | T | A | 0.0000 | |
| 698 | A | A | 0.0000 | |
| 699 | H | A | 0.0000 | |
| 700 | E | A | -1.8207 | |
| 701 | D | A | -1.1590 | |
| 702 | R | A | -0.9125 | |
| 703 | H | A | -0.1773 | |
| 704 | I | A | 0.0000 | |
| 705 | K | A | 0.0000 | |
| 706 | F | A | 0.0000 | |
| 707 | F | A | 0.0000 | |
| 708 | D | A | -0.5448 | |
| 709 | N | A | 0.0000 | |
| 710 | K | A | -1.7911 | |
| 711 | T | A | -1.0712 | |
| 712 | G | A | -0.6564 | |
| 713 | K | A | -1.3296 | |
| 714 | M | A | -0.0662 | |
| 715 | I | A | 0.9023 | |
| 716 | H | A | 0.1415 | |
| 717 | S | A | 0.3779 | |
| 718 | M | A | 0.5397 | |
| 719 | V | A | 1.5230 | |
| 720 | A | A | 0.0000 | |
| 721 | H | A | 0.0000 | |
| 722 | L | A | 0.9406 | |
| 723 | D | A | -0.3572 | |
| 724 | A | A | 0.0000 | |
| 725 | V | A | 0.0000 | |
| 726 | T | A | -0.6519 | |
| 727 | S | A | 0.0000 | |
| 728 | L | A | 0.0000 | |
| 729 | A | A | 0.2208 | |
| 730 | V | A | 0.4213 | |
| 731 | D | A | 0.0000 | |
| 732 | P | A | -0.5909 | |
| 733 | N | A | -0.8614 | |
| 734 | G | A | 0.0863 | |
| 735 | I | A | 0.7863 | |
| 736 | Y | A | 0.7186 | |
| 737 | L | A | 0.0000 | |
| 738 | M | A | 0.0000 | |
| 739 | S | A | 0.0000 | |
| 740 | G | A | 0.0000 | |
| 741 | S | A | 0.0000 | |
| 742 | H | A | -1.5374 | |
| 743 | D | A | -0.9386 | |
| 744 | C | A | -0.9088 | |
| 745 | S | A | 0.0000 | |
| 746 | I | A | 0.0000 | |
| 747 | R | A | -0.8584 | |
| 748 | L | A | 0.0000 | |
| 749 | W | A | 0.0000 | |
| 750 | N | A | -0.1453 | |
| 751 | L | A | 0.0000 | |
| 752 | D | A | -1.7130 | |
| 753 | S | A | -1.0678 | |
| 754 | K | A | -1.0427 | |
| 755 | T | A | -0.3471 | |
| 756 | C | A | -0.0644 | |
| 757 | V | A | 0.1556 | |
| 758 | Q | A | -0.7407 | |
| 759 | E | A | -1.8140 | |
| 760 | I | A | 0.0000 | |
| 761 | T | A | -0.7943 | |
| 762 | A | A | 0.0000 | |
| 763 | H | A | 0.0000 | |
| 764 | R | A | -3.0402 | |
| 765 | K | A | -3.0420 | |
| 766 | K | A | -2.3279 | |
| 767 | L | A | -0.3587 | |
| 768 | D | A | -2.3074 | |
| 769 | E | A | -2.0675 | |
| 770 | S | A | 0.0000 | |
| 771 | I | A | 0.0000 | |
| 772 | Y | A | 0.0000 | |
| 773 | D | A | 0.0000 | |
| 774 | V | A | 0.0000 | |
| 775 | A | A | 0.1535 | |
| 776 | F | A | 0.1612 | |
| 777 | H | A | 0.0000 | |
| 778 | P | A | -0.3432 | |
| 779 | S | A | -0.3191 | |
| 780 | K | A | -0.5393 | |
| 781 | A | A | -0.0767 | |
| 782 | Y | A | -0.0893 | |
| 783 | I | A | 0.0000 | |
| 784 | A | A | 0.0000 | |
| 785 | S | A | 0.0000 | |
| 786 | A | A | 0.0000 | |
| 787 | G | A | 0.0000 | |
| 788 | A | A | 0.0000 | |
| 789 | D | A | -1.0672 | |
| 790 | A | A | -0.4668 | |
| 791 | L | A | -0.3711 | |
| 792 | A | A | 0.0000 | |
| 793 | K | A | -0.5251 | |
| 794 | V | A | 0.0000 | |
| 795 | F | A | 0.0000 | |
| 796 | V | A | -0.3238 |
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 | -0.2214 | 6.1027 | View | CSV | PDB |
| 4.5 | -0.3187 | 5.9335 | View | CSV | PDB |
| 5.0 | -0.4423 | 5.6975 | View | CSV | PDB |
| 5.5 | -0.5703 | 5.5433 | View | CSV | PDB |
| 6.0 | -0.6802 | 5.5433 | View | CSV | PDB |
| 6.5 | -0.7573 | 5.5433 | View | CSV | PDB |
| 7.0 | -0.7988 | 5.5433 | View | CSV | PDB |
| 7.5 | -0.813 | 5.5433 | View | CSV | PDB |
| 8.0 | -0.8107 | 5.5433 | View | CSV | PDB |
| 8.5 | -0.7959 | 5.5433 | View | CSV | PDB |
| 9.0 | -0.7666 | 5.5433 | 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