| Chain sequence(s) |
A: MAKIAKTHEDIEAQIREIQGKKAALDEAQGVGLDSTGYYDQEIYGGSDSRFAGYVTSIAATELEDDDDDYSSSTSLLGQKKPGYHAPVALLNDIPQSTEQYDPFAEHRPPKIADREDEYKKHRRTMIISPERLDPFADGGKTPDPKMNARTYMDVMREQHLTKEEREIRQQLAEKAKAGELKVVNGAAASQPPSKRKRRWDQTADQTPGATPKKLSSWDQAETPGHTPSLRWDETPGRAKGSETPGATPGSKIWDPTPSHTPAGAATPGRGDTPGHATPGHGGATSSARKNRWDETPKTERDTPGHGSGWAETPRTDRGGDSIGETPTPGASKRKSRWDETPASQMGGSTPVLTPGKTPIGTPAMNMATPTPGHIMSMTPEQLQAWRWEREIDERNRPLSDEELDAMFPEGYKVLPPPAGYVPIRTPARKLTATPTPLGGMTGFHMQTEDRTMKSVNDQPSGNLPFLKPDDIQYFDKLLVDVDESTLSPEEQKERKIMKLLLKIKNGTPPMRKAALRQITDKAREFGAGPLFNQILPLLMSPTLEDQERHLLVKVIDRILYKLDDLVRPYVHKILVVIEPLLIDEDYYARVEGREIISNLAKAAGLATMISTMRPDIDNMDEYVRNTTARAFAVVASALGIPSLLPFLKAVCKSKKSWQARHTGIKIVQQIAILMGCAILPHLRSLVEIIEHGLVDEQQKVRTISALAIAALAEAATPYGIESFDSVLKPLWKGIRQHRGKGLAAFLKAIGYLIPLMDAEYANYYTREVMLILIREFQSPDEEMKKIVLKVVKQCCGTDGVEANYIKTEILPPFFKHFWQHRMALDRRNYRQLVDTTVELANKVGAAEIISRIVDDLKDEAEQYRKMVMETIEKIMGNLGAADIDHKLEEQLIDGILYAFQEQTTEDSVMLNGFGTVVNALGKRVKPYLPQICGTVLWRLNNKSAKVRQQAADLISRTAVVMKTCQEEKLMGHLGVVLYEYLGEEYPEVLGSILGALKAIVNVIGMHKMTPPIKDLLPRLTPILKNRHEKVQENCIDLVGRIADRGAEYVSAREWMRICFELLELLKAHKKAIRRATVNTFGYIAKAIGPHDVLATLLNNLKVQERQNRVCTTVAIAIVAETCSPFTVLPALMNEYRVPELNVQNGVLKSLSFLFEYIGEMGKDYIYAVTPLLEDALMDRDLVHRQTASAVVQHMSLGVYGFGCEDSLNHLLNYVWPNVFETSPHVIQAVMGALEGLRVAIGPCRMLQYCLQGLFHPARKVRDVYWKIYNSIYIGSQDALIAHYPRIYNDDKNTYIRYELDYIL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MAKIAKTHEDIEAQIREIQGKKAALDEAQGVGLDSTGYYDQEIYGGSDSRFAGYVTSIAATELEDDDDDYSSSTSLLGQKKPGYHAPVALLNDIPQSTEQYDPFAEHRPPKIADREDEYKKHRRTMIISPERLDPFADGGKTPDPKMNARTYMDVMREQHLTKEEREIRQQLAEKAKAGELKVVNGAAAS QPPSKRKRRWDQTADQTPGATPKKLSSWDQAETPGHTPSLRWDETPGRAKGSETPGATPGSKIWDPTPSHTPAGAATPGRGDTPGHATPGHGGATSSARKNRWDETPKTERDTPGHGSGWAETPRTDRGGDSIGETPTPGASKRKSRWDETPASQMGGSTPVLTPGKTPIGTPAMNMATPT PGHIMSMTPEQLQAWRWEREIDERNRPLSDEELDAMFPEGYKVLPPPAGYVPIRTPARKLTATPTPLGGMTGFHMQTEDRTMKSVN DQPSGNLPFLKPDDIQYFDKLLVDVDESTLSPEEQKERKIMKLLLKIKNGTPPMRKAALRQITDKAREFGAGPLFNQILPLLMSPTLEDQERHLLVKVIDRILYKLDDLVRPYVHKILVVIEPLLIDEDYYARVEGREIISNLAKAAGLATMISTMRPDIDNMDEYVRNTTARAFAVVASALGIPSLLPFLKAVCKSKKSWQARHTGIKIVQQIAILMGCAILPHLRSLVEIIEHGLVDEQQKVRTISALAIAALAEAATPYGIESFDSVLKPLWKGIRQHRGKGLAAFLKAIGYLIPLMDAEYANYYTREVMLILIREFQSPDEEMKKIVLKVVKQCCGTDGVEANYIKTEILPPFFKHFWQHRMALDRRNYRQLVDTTVELANKVGAAEIISRIVDDLKDEAEQYRKMVMETIEKIMGNLGAADIDHKLEEQLIDGILYAFQEQTTEDSVMLNGFGTVVNALGKRVKPYLPQICGTVLWRLNNKSAKVRQQAADLISRTAVVMKTCQEEKLMGHLGVVLYEYLGEEYPEVLGSILGALKAIVNVIGMHKMTPPIKDLLPRLTPILKNRHEKVQENCIDLVGRIADRGAEYVSAREWMRICFELLELLKAHKKAIRRATVNTFGYIAKAIGPHDVLATLLNNLKVQERQNRVCTTVAIAIVAETCSPFTVLPALMNEYRVPELNVQNGVLKSLSFLFEYIGEMGKDYIYAVTPLLEDALMDRDLVHRQTASAVVQHMSLGVYGFGCEDSLNHLLNYVWPNVFETSPHVIQAVMGALEGLRVAIGPCRMLQYCLQGLFHPARKVRDVYWKIYNSIYIGSQDALIAHYPRIYNDDKNTYIRYELDYIL(Red indicates removed residues) |
| 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: Running AlphaCutter (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:01:14)
[INFO] FoldX: Starting FoldX energy minimization (00:01:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:42:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/266a49c4e81b782/tmp/folded.pdb (00:42:08)
[INFO] Main: Simulation completed successfully. (01:00:16)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.9509 | |
| 2 | A | A | 0.2452 | |
| 3 | K | A | -0.6912 | |
| 4 | I | A | 0.8150 | |
| 5 | A | A | -0.5398 | |
| 6 | K | A | -1.8241 | |
| 7 | T | A | -1.7793 | |
| 8 | H | A | -2.2904 | |
| 9 | E | A | -2.8228 | |
| 10 | D | A | -2.0603 | |
| 11 | I | A | -0.7375 | |
| 12 | E | A | -1.8654 | |
| 13 | A | A | -1.9403 | |
| 14 | Q | A | -1.4539 | |
| 15 | I | A | -0.4462 | |
| 16 | R | A | -2.9210 | |
| 17 | E | A | -3.2066 | |
| 18 | I | A | -2.0431 | |
| 19 | Q | A | -2.9529 | |
| 20 | G | A | -2.8861 | |
| 21 | K | A | -3.0068 | |
| 22 | K | A | -3.1143 | |
| 23 | A | A | -1.7850 | |
| 24 | A | A | -1.3740 | |
| 25 | L | A | -0.8028 | |
| 26 | D | A | -2.3655 | |
| 27 | E | A | -2.4693 | |
| 28 | A | A | -1.4906 | |
| 29 | Q | A | -1.4065 | |
| 30 | G | A | -0.5556 | |
| 31 | V | A | 0.9833 | |
| 32 | G | A | 0.1989 | |
| 33 | L | A | 0.7053 | |
| 34 | D | A | -1.1112 | |
| 35 | S | A | -0.4481 | |
| 36 | T | A | -0.0120 | |
| 37 | G | A | 0.5414 | |
| 38 | Y | A | 1.1585 | |
| 39 | Y | A | 0.9957 | |
| 40 | D | A | -0.9400 | |
| 41 | Q | A | -1.4366 | |
| 42 | E | A | -1.5342 | |
| 43 | I | A | 0.9520 | |
| 44 | Y | A | 0.7908 | |
| 45 | G | A | -0.5148 | |
| 46 | G | A | -1.1169 | |
| 47 | S | A | -1.4514 | |
| 48 | D | A | -2.1921 | |
| 49 | S | A | -1.5642 | |
| 50 | R | A | -1.4023 | |
| 51 | F | A | 1.1305 | |
| 52 | A | A | 0.4326 | |
| 53 | G | A | 0.7089 | |
| 54 | Y | A | 2.2035 | |
| 55 | V | A | 2.7807 | |
| 56 | T | A | 1.6003 | |
| 57 | S | A | 1.4547 | |
| 58 | I | A | 2.4281 | |
| 59 | A | A | 1.0094 | |
| 60 | A | A | -0.1010 | |
| 61 | T | A | -1.1754 | |
| 62 | E | A | -1.9247 | |
| 63 | L | A | -0.6522 | |
| 64 | E | A | -2.2112 | |
| 65 | D | A | -3.0574 | |
| 66 | D | A | -3.9966 | |
| 67 | D | A | -4.3034 | |
| 68 | D | A | -4.0068 | |
| 69 | D | A | -2.6007 | |
| 70 | Y | A | -0.4476 | |
| 71 | S | A | -0.5883 | |
| 72 | S | A | -1.1544 | |
| 73 | S | A | -1.7077 | |
| 74 | T | A | -1.7435 | |
| 75 | S | A | -1.5584 | |
| 76 | L | A | 0.1000 | |
| 77 | L | A | -0.4338 | |
| 78 | G | A | -1.6027 | |
| 79 | Q | A | -2.7712 | |
| 80 | K | A | -3.4635 | |
| 81 | K | A | -2.9829 | |
| 82 | P | A | -1.6530 | |
| 83 | G | A | -1.0619 | |
| 84 | Y | A | 0.2698 | |
| 85 | H | A | -0.0821 | |
| 86 | A | A | 0.7120 | |
| 87 | P | A | 1.1039 | |
| 88 | V | A | 1.7359 | |
| 89 | A | A | 0.9958 | |
| 90 | L | A | 1.5211 | |
| 91 | L | A | 0.8793 | |
| 92 | N | A | -0.8819 | |
| 93 | D | A | -1.3687 | |
| 94 | I | A | -0.5216 | |
| 95 | P | A | -1.2098 | |
| 96 | Q | A | -1.8767 | |
| 97 | S | A | -1.4847 | |
| 98 | T | A | -1.5981 | |
| 99 | E | A | -2.4339 | |
| 100 | Q | A | -1.9470 | |
| 101 | Y | A | -0.5350 | |
| 102 | D | A | -1.6081 | |
| 103 | P | A | -0.8272 | |
| 104 | F | A | -1.2884 | |
| 105 | A | A | -1.6972 | |
| 106 | E | A | -2.6229 | |
| 107 | H | A | -2.4925 | |
| 108 | R | A | -2.9914 | |
| 109 | P | A | -1.8883 | |
| 110 | P | A | -2.4226 | |
| 111 | K | A | -2.2178 | |
| 112 | I | A | -0.1590 | |
| 113 | A | A | -2.0956 | |
| 114 | D | A | -3.3361 | |
| 115 | R | A | -3.4288 | |
| 116 | E | A | -3.3720 | |
| 117 | D | A | -3.9307 | |
| 118 | E | A | -3.7043 | |
| 119 | Y | A | -1.9046 | |
| 120 | K | A | -3.5378 | |
| 121 | K | A | -3.7708 | |
| 122 | H | A | -2.4670 | |
| 123 | R | A | -2.7578 | |
| 124 | R | A | -2.7284 | |
| 125 | T | A | -1.0133 | |
| 126 | M | A | 0.0319 | |
| 127 | I | A | 1.4774 | |
| 128 | I | A | 1.5194 | |
| 129 | S | A | 0.3761 | |
| 130 | P | A | -0.7560 | |
| 131 | E | A | -2.4026 | |
| 132 | R | A | -2.4760 | |
| 133 | L | A | -0.6177 | |
| 134 | D | A | -1.3852 | |
| 135 | P | A | -0.7227 | |
| 136 | F | A | 0.5268 | |
| 137 | A | A | -0.5897 | |
| 138 | D | A | -2.1673 | |
| 139 | G | A | -1.5886 | |
| 140 | G | A | -1.6154 | |
| 141 | K | A | -2.5193 | |
| 142 | T | A | -1.5943 | |
| 143 | P | A | -1.9247 | |
| 144 | D | A | -2.0686 | |
| 145 | P | A | -1.6484 | |
| 146 | K | A | -2.0006 | |
| 147 | M | A | -0.9725 | |
| 148 | N | A | -1.8521 | |
| 149 | A | A | -1.7223 | |
| 150 | R | A | -2.1277 | |
| 151 | T | A | -0.7152 | |
| 152 | Y | A | 0.7886 | |
| 153 | M | A | 0.2083 | |
| 154 | D | A | -1.8317 | |
| 155 | V | A | 0.0000 | |
| 156 | M | A | -0.5614 | |
| 157 | R | A | -2.5681 | |
| 158 | E | A | -2.0947 | |
| 159 | Q | A | -1.8765 | |
| 160 | H | A | -3.0577 | |
| 161 | L | A | -2.4674 | |
| 162 | T | A | -2.6261 | |
| 163 | K | A | -3.9661 | |
| 164 | E | A | -4.1244 | |
| 165 | E | A | -3.9966 | |
| 166 | R | A | -4.0516 | |
| 167 | E | A | -3.8644 | |
| 168 | I | A | -2.3695 | |
| 169 | R | A | -3.5753 | |
| 170 | Q | A | -3.3756 | |
| 171 | Q | A | -2.6402 | |
| 172 | L | A | -1.2376 | |
| 173 | A | A | -1.7190 | |
| 174 | E | A | -2.4738 | |
| 175 | K | A | -2.9707 | |
| 176 | A | A | -1.9321 | |
| 177 | K | A | -2.5281 | |
| 178 | A | A | -2.0728 | |
| 179 | G | A | -2.1938 | |
| 180 | E | A | -2.6456 | |
| 181 | L | A | -1.0659 | |
| 182 | K | A | -0.9414 | |
| 183 | V | A | 1.2921 | |
| 184 | V | A | 1.4452 | |
| 185 | N | A | -0.3441 | |
| 186 | G | A | -0.0808 | |
| 187 | A | A | -0.1879 | |
| 188 | A | A | -0.0062 | |
| 189 | A | A | -0.0551 | |
| 190 | S | A | -0.1637 | |
| 372 | P | A | -0.5038 | |
| 373 | G | A | -0.6794 | |
| 374 | H | A | -0.8037 | |
| 375 | I | A | 0.1707 | |
| 376 | M | A | 0.7032 | |
| 377 | S | A | -0.0206 | |
| 378 | M | A | -0.3100 | |
| 379 | T | A | -0.8971 | |
| 380 | P | A | -1.6124 | |
| 381 | E | A | -2.5152 | |
| 382 | Q | A | -1.9606 | |
| 383 | L | A | -1.0817 | |
| 384 | Q | A | -2.0255 | |
| 385 | A | A | -1.2374 | |
| 386 | W | A | -0.9070 | |
| 387 | R | A | -1.5915 | |
| 388 | W | A | -0.5626 | |
| 389 | E | A | -1.9617 | |
| 390 | R | A | -3.5266 | |
| 391 | E | A | -3.4457 | |
| 392 | I | A | -2.4731 | |
| 393 | D | A | -3.7749 | |
| 394 | E | A | -4.7193 | |
| 395 | R | A | -4.4009 | |
| 396 | N | A | -3.6910 | |
| 397 | R | A | -3.1459 | |
| 398 | P | A | -1.5904 | |
| 399 | L | A | -0.4917 | |
| 400 | S | A | -1.6402 | |
| 401 | D | A | -2.6064 | |
| 402 | E | A | -3.1038 | |
| 403 | E | A | -1.5294 | |
| 404 | L | A | -0.4327 | |
| 405 | D | A | -1.9996 | |
| 406 | A | A | -0.7825 | |
| 407 | M | A | 0.8044 | |
| 408 | F | A | 1.4127 | |
| 409 | P | A | -0.0665 | |
| 410 | E | A | -1.7375 | |
| 411 | G | A | -1.0486 | |
| 412 | Y | A | 0.5286 | |
| 413 | K | A | -0.1798 | |
| 414 | V | A | 1.4751 | |
| 415 | L | A | 1.8920 | |
| 416 | P | A | 0.6902 | |
| 417 | P | A | 0.6306 | |
| 418 | P | A | 0.2823 | |
| 419 | A | A | 0.2184 | |
| 420 | G | A | 0.5363 | |
| 421 | Y | A | 2.0106 | |
| 422 | V | A | 2.4171 | |
| 423 | P | A | 1.4372 | |
| 424 | I | A | 1.6440 | |
| 425 | R | A | -0.7076 | |
| 426 | T | A | -0.8294 | |
| 427 | P | A | -1.1418 | |
| 428 | A | A | -1.2586 | |
| 429 | R | A | -2.2033 | |
| 430 | K | A | -1.8839 | |
| 431 | L | A | 0.0804 | |
| 432 | T | A | -0.2248 | |
| 433 | A | A | -0.3741 | |
| 434 | T | A | -0.1277 | |
| 435 | P | A | -0.2014 | |
| 436 | T | A | -0.0104 | |
| 437 | P | A | 0.2324 | |
| 438 | L | A | 1.0339 | |
| 439 | G | A | -0.0364 | |
| 440 | G | A | -0.3611 | |
| 458 | D | A | -2.1653 | |
| 459 | Q | A | -1.9967 | |
| 460 | P | A | 0.0000 | |
| 461 | S | A | -1.2042 | |
| 462 | G | A | -1.4757 | |
| 463 | N | A | -1.5797 | |
| 464 | L | A | -0.7128 | |
| 465 | P | A | -0.3936 | |
| 466 | F | A | -0.1218 | |
| 467 | L | A | 0.0000 | |
| 468 | K | A | -1.1538 | |
| 469 | P | A | -0.9573 | |
| 470 | D | A | -1.1371 | |
| 471 | D | A | 0.0000 | |
| 472 | I | A | -1.0325 | |
| 473 | Q | A | -1.5390 | |
| 474 | Y | A | -0.8082 | |
| 475 | F | A | 0.0000 | |
| 476 | D | A | -0.9602 | |
| 477 | K | A | -1.5846 | |
| 478 | L | A | 0.0000 | |
| 479 | L | A | -0.2530 | |
| 480 | V | A | 0.3255 | |
| 481 | D | A | -1.4421 | |
| 482 | V | A | -1.0986 | |
| 483 | D | A | -2.3165 | |
| 484 | E | A | -2.5849 | |
| 485 | S | A | -1.3089 | |
| 486 | T | A | -1.0352 | |
| 487 | L | A | -1.3469 | |
| 488 | S | A | -1.6001 | |
| 489 | P | A | -2.1282 | |
| 490 | E | A | -3.2906 | |
| 491 | E | A | -3.3742 | |
| 492 | Q | A | -3.1493 | |
| 493 | K | A | -3.3885 | |
| 494 | E | A | -3.4214 | |
| 495 | R | A | -2.6921 | |
| 496 | K | A | -2.2954 | |
| 497 | I | A | 0.0000 | |
| 498 | M | A | 0.0000 | |
| 499 | K | A | -1.3644 | |
| 500 | L | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | K | A | -0.9758 | |
| 504 | I | A | 0.0000 | |
| 505 | K | A | -0.9294 | |
| 506 | N | A | -0.5765 | |
| 507 | G | A | -0.6040 | |
| 508 | T | A | -0.6293 | |
| 509 | P | A | -0.8922 | |
| 510 | P | A | -0.8873 | |
| 511 | M | A | -0.8557 | |
| 512 | R | A | -1.5720 | |
| 513 | K | A | -2.1533 | |
| 514 | A | A | -1.5291 | |
| 515 | A | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | R | A | -3.1461 | |
| 518 | Q | A | -2.4343 | |
| 519 | I | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | D | A | -3.5107 | |
| 522 | K | A | -3.1507 | |
| 523 | A | A | 0.0000 | |
| 524 | R | A | -3.3236 | |
| 525 | E | A | -3.2875 | |
| 526 | F | A | 0.0000 | |
| 527 | G | A | -1.2855 | |
| 528 | A | A | 0.0000 | |
| 529 | G | A | -0.2845 | |
| 530 | P | A | -1.3635 | |
| 531 | L | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | N | A | -1.3021 | |
| 534 | Q | A | -0.8273 | |
| 535 | I | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | P | A | -0.0482 | |
| 538 | L | A | 0.0000 | |
| 539 | L | A | 0.2559 | |
| 540 | M | A | 1.0748 | |
| 541 | S | A | -0.0307 | |
| 542 | P | A | -0.2824 | |
| 543 | T | A | -0.8020 | |
| 544 | L | A | -1.3902 | |
| 545 | E | A | -3.0081 | |
| 546 | D | A | -3.2576 | |
| 547 | Q | A | -2.8272 | |
| 548 | E | A | -2.1819 | |
| 549 | R | A | -1.8045 | |
| 550 | H | A | -1.4797 | |
| 551 | L | A | -1.1609 | |
| 552 | L | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | K | A | -1.2125 | |
| 555 | V | A | 0.0000 | |
| 556 | I | A | 0.0000 | |
| 557 | D | A | -0.8943 | |
| 558 | R | A | -1.2489 | |
| 559 | I | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | Y | A | -0.0793 | |
| 562 | K | A | -1.2175 | |
| 563 | L | A | 0.0000 | |
| 564 | D | A | -2.2077 | |
| 565 | D | A | -2.1918 | |
| 566 | L | A | -0.6782 | |
| 567 | V | A | 0.0000 | |
| 568 | R | A | -1.7062 | |
| 569 | P | A | -0.9809 | |
| 570 | Y | A | -0.7508 | |
| 571 | V | A | 0.0000 | |
| 572 | H | A | -1.0277 | |
| 573 | K | A | -0.6915 | |
| 574 | I | A | 0.0000 | |
| 575 | L | A | 0.0000 | |
| 576 | V | A | 1.4126 | |
| 577 | V | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | E | A | 0.0000 | |
| 580 | P | A | 0.4397 | |
| 581 | L | A | 0.1360 | |
| 582 | L | A | 0.0000 | |
| 583 | I | A | 0.0267 | |
| 584 | D | A | -1.0037 | |
| 585 | E | A | -1.9485 | |
| 586 | D | A | -1.0097 | |
| 587 | Y | A | 1.1159 | |
| 588 | Y | A | 1.2069 | |
| 589 | A | A | 0.0000 | |
| 590 | R | A | 0.0297 | |
| 591 | V | A | 0.7012 | |
| 592 | E | A | 0.0000 | |
| 593 | G | A | 0.0000 | |
| 594 | R | A | -1.0058 | |
| 595 | E | A | -1.6617 | |
| 596 | I | A | 0.0000 | |
| 597 | I | A | 0.0000 | |
| 598 | S | A | -1.1920 | |
| 599 | N | A | -1.3252 | |
| 600 | L | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | K | A | -1.9269 | |
| 603 | A | A | -1.7032 | |
| 604 | A | A | 0.0000 | |
| 605 | G | A | -0.9986 | |
| 606 | L | A | 0.1180 | |
| 607 | A | A | 0.2152 | |
| 608 | T | A | -0.3183 | |
| 609 | M | A | 0.0000 | |
| 610 | I | A | -0.2213 | |
| 611 | S | A | -0.6658 | |
| 612 | T | A | -1.0358 | |
| 613 | M | A | 0.0000 | |
| 614 | R | A | -1.9798 | |
| 615 | P | A | -1.4444 | |
| 616 | D | A | -1.2883 | |
| 617 | I | A | 0.0000 | |
| 618 | D | A | -1.5727 | |
| 619 | N | A | -0.9655 | |
| 620 | M | A | -0.0469 | |
| 621 | D | A | -1.1377 | |
| 622 | E | A | -1.6022 | |
| 623 | Y | A | 0.1869 | |
| 624 | V | A | -0.0865 | |
| 625 | R | A | 0.0000 | |
| 626 | N | A | -0.5180 | |
| 627 | T | A | 0.0000 | |
| 628 | T | A | 0.0000 | |
| 629 | A | A | 0.0000 | |
| 630 | R | A | -0.3837 | |
| 631 | A | A | 0.0000 | |
| 632 | F | A | 0.0000 | |
| 633 | A | A | 0.0000 | |
| 634 | V | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | A | A | 0.0000 | |
| 637 | S | A | 0.0551 | |
| 638 | A | A | -0.5235 | |
| 639 | L | A | -0.0955 | |
| 640 | G | A | -0.0435 | |
| 641 | I | A | 0.0000 | |
| 642 | P | A | -0.3108 | |
| 643 | S | A | -0.0778 | |
| 644 | L | A | 0.0000 | |
| 645 | L | A | -0.5534 | |
| 646 | P | A | -0.7950 | |
| 647 | F | A | 0.0000 | |
| 648 | L | A | 0.0000 | |
| 649 | K | A | -2.1897 | |
| 650 | A | A | -1.2613 | |
| 651 | V | A | 0.0000 | |
| 652 | C | A | 0.0000 | |
| 653 | K | A | -1.8410 | |
| 654 | S | A | -2.0137 | |
| 655 | K | A | -2.6857 | |
| 656 | K | A | -2.7122 | |
| 657 | S | A | -1.4909 | |
| 658 | W | A | -1.2524 | |
| 659 | Q | A | -1.0720 | |
| 660 | A | A | 0.0000 | |
| 661 | R | A | -1.4414 | |
| 662 | H | A | -0.8033 | |
| 663 | T | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | I | A | 0.0000 | |
| 666 | K | A | -0.4883 | |
| 667 | I | A | 0.0000 | |
| 668 | V | A | 0.0000 | |
| 669 | Q | A | 0.2754 | |
| 670 | Q | A | 0.4294 | |
| 671 | I | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 673 | I | A | 1.9580 | |
| 674 | L | A | 1.4574 | |
| 675 | M | A | 1.1233 | |
| 676 | G | A | 0.7891 | |
| 677 | C | A | 0.9186 | |
| 678 | A | A | 0.4995 | |
| 679 | I | A | 0.0000 | |
| 680 | L | A | 0.3927 | |
| 681 | P | A | -0.2477 | |
| 682 | H | A | -0.4504 | |
| 683 | L | A | 0.0000 | |
| 684 | R | A | -1.6621 | |
| 685 | S | A | -1.2669 | |
| 686 | L | A | 0.0000 | |
| 687 | V | A | 0.0000 | |
| 688 | E | A | -2.4999 | |
| 689 | I | A | 0.0000 | |
| 690 | I | A | 0.0000 | |
| 691 | E | A | -1.0464 | |
| 692 | H | A | -0.5098 | |
| 693 | G | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | V | A | 0.8187 | |
| 696 | D | A | -0.8800 | |
| 697 | E | A | -2.0611 | |
| 698 | Q | A | -1.9235 | |
| 699 | Q | A | -2.4779 | |
| 700 | K | A | -2.4833 | |
| 701 | V | A | 0.0000 | |
| 702 | R | A | -1.1933 | |
| 703 | T | A | -1.1497 | |
| 704 | I | A | 0.0000 | |
| 705 | S | A | 0.0000 | |
| 706 | A | A | 0.0000 | |
| 707 | L | A | 0.1357 | |
| 708 | A | A | 0.0000 | |
| 709 | I | A | 0.0000 | |
| 710 | A | A | 0.0000 | |
| 711 | A | A | -0.1890 | |
| 712 | L | A | 0.0000 | |
| 713 | A | A | 0.0000 | |
| 714 | E | A | -1.4737 | |
| 715 | A | A | -0.0333 | |
| 716 | A | A | 0.0000 | |
| 717 | T | A | -0.2318 | |
| 718 | P | A | 0.0358 | |
| 719 | Y | A | 0.6948 | |
| 720 | G | A | 0.0000 | |
| 721 | I | A | -0.8676 | |
| 722 | E | A | -2.1097 | |
| 723 | S | A | 0.0000 | |
| 724 | F | A | 0.0000 | |
| 725 | D | A | -2.5949 | |
| 726 | S | A | -2.0414 | |
| 727 | V | A | 0.0000 | |
| 728 | L | A | -1.3103 | |
| 729 | K | A | -2.1209 | |
| 730 | P | A | -0.9969 | |
| 731 | L | A | 0.0000 | |
| 732 | W | A | -1.0745 | |
| 733 | K | A | -1.8706 | |
| 734 | G | A | 0.0000 | |
| 735 | I | A | 0.0000 | |
| 736 | R | A | -2.1037 | |
| 737 | Q | A | -2.3797 | |
| 738 | H | A | -2.4719 | |
| 739 | R | A | -2.8835 | |
| 740 | G | A | -2.3340 | |
| 741 | K | A | -2.5120 | |
| 742 | G | A | -1.9754 | |
| 743 | L | A | 0.0000 | |
| 744 | A | A | 0.0000 | |
| 745 | A | A | 0.0000 | |
| 746 | F | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | K | A | -0.6100 | |
| 749 | A | A | 0.0000 | |
| 750 | I | A | 0.0000 | |
| 751 | G | A | 0.0000 | |
| 752 | Y | A | -0.6243 | |
| 753 | L | A | 0.0000 | |
| 754 | I | A | 0.0000 | |
| 755 | P | A | -0.8166 | |
| 756 | L | A | 0.0000 | |
| 757 | M | A | 0.0000 | |
| 758 | D | A | -2.1618 | |
| 759 | A | A | -1.7634 | |
| 760 | E | A | -1.7500 | |
| 761 | Y | A | 0.0903 | |
| 762 | A | A | 0.0000 | |
| 763 | N | A | -0.8958 | |
| 764 | Y | A | 0.5469 | |
| 765 | Y | A | 0.3077 | |
| 766 | T | A | 0.0000 | |
| 767 | R | A | -0.5696 | |
| 768 | E | A | -0.1237 | |
| 769 | V | A | 0.0000 | |
| 770 | M | A | 0.0000 | |
| 771 | L | A | 0.8210 | |
| 772 | I | A | 0.0788 | |
| 773 | L | A | 0.0000 | |
| 774 | I | A | -0.3971 | |
| 775 | R | A | -1.5680 | |
| 776 | E | A | -1.6286 | |
| 777 | F | A | 0.0000 | |
| 778 | Q | A | -2.1402 | |
| 779 | S | A | -2.0528 | |
| 780 | P | A | -1.8170 | |
| 781 | D | A | -3.1416 | |
| 782 | E | A | -3.3612 | |
| 783 | E | A | -3.2230 | |
| 784 | M | A | 0.0000 | |
| 785 | K | A | -2.2945 | |
| 786 | K | A | -2.3217 | |
| 787 | I | A | 0.0000 | |
| 788 | V | A | 0.0000 | |
| 789 | L | A | 0.0000 | |
| 790 | K | A | -0.8419 | |
| 791 | V | A | 0.0000 | |
| 792 | V | A | 0.0000 | |
| 793 | K | A | -0.8792 | |
| 794 | Q | A | -0.6962 | |
| 795 | C | A | 0.0000 | |
| 796 | C | A | 0.0000 | |
| 797 | G | A | -1.5963 | |
| 798 | T | A | 0.0000 | |
| 799 | D | A | -2.7757 | |
| 800 | G | A | -1.6585 | |
| 801 | V | A | 0.0000 | |
| 802 | E | A | -1.7715 | |
| 803 | A | A | -1.8789 | |
| 804 | N | A | -2.1978 | |
| 805 | Y | A | 0.0000 | |
| 806 | I | A | 0.0000 | |
| 807 | K | A | -2.1604 | |
| 808 | T | A | -1.5922 | |
| 809 | E | A | -1.8235 | |
| 810 | I | A | 0.0000 | |
| 811 | L | A | 0.0000 | |
| 812 | P | A | -1.2130 | |
| 813 | P | A | -1.2631 | |
| 814 | F | A | 0.0000 | |
| 815 | F | A | -0.9839 | |
| 816 | K | A | -2.0181 | |
| 817 | H | A | -1.4207 | |
| 818 | F | A | 0.0000 | |
| 819 | W | A | 0.0000 | |
| 820 | Q | A | -1.8058 | |
| 821 | H | A | -1.8563 | |
| 822 | R | A | -2.1145 | |
| 823 | M | A | 0.0000 | |
| 824 | A | A | 0.0000 | |
| 825 | L | A | -0.3344 | |
| 826 | D | A | -1.8065 | |
| 827 | R | A | -3.0383 | |
| 828 | R | A | -3.3788 | |
| 829 | N | A | 0.0000 | |
| 830 | Y | A | 0.0000 | |
| 831 | R | A | -3.1478 | |
| 832 | Q | A | 0.0000 | |
| 833 | L | A | 0.0000 | |
| 834 | V | A | 0.0000 | |
| 835 | D | A | -1.1317 | |
| 836 | T | A | 0.0000 | |
| 837 | T | A | 0.0000 | |
| 838 | V | A | 0.0000 | |
| 839 | E | A | -1.5635 | |
| 840 | L | A | 0.0000 | |
| 841 | A | A | 0.0000 | |
| 842 | N | A | -1.6548 | |
| 843 | K | A | -2.6997 | |
| 844 | V | A | 0.0000 | |
| 845 | G | A | -1.2314 | |
| 846 | A | A | 0.0000 | |
| 847 | A | A | -1.0803 | |
| 848 | E | A | -1.0373 | |
| 849 | I | A | 0.0000 | |
| 850 | I | A | 0.0000 | |
| 851 | S | A | -1.3387 | |
| 852 | R | A | -1.3386 | |
| 853 | I | A | 0.0000 | |
| 854 | V | A | 0.0000 | |
| 855 | D | A | -2.9917 | |
| 856 | D | A | -2.2962 | |
| 857 | L | A | 0.0000 | |
| 858 | K | A | -2.8697 | |
| 859 | D | A | -2.5355 | |
| 860 | E | A | -2.6198 | |
| 861 | A | A | -1.7099 | |
| 862 | E | A | -1.5437 | |
| 863 | Q | A | -1.0922 | |
| 864 | Y | A | 0.0000 | |
| 865 | R | A | 0.0000 | |
| 866 | K | A | -0.6913 | |
| 867 | M | A | 0.0000 | |
| 868 | V | A | 0.0000 | |
| 869 | M | A | 0.0000 | |
| 870 | E | A | -0.8180 | |
| 871 | T | A | 0.0000 | |
| 872 | I | A | 0.0000 | |
| 873 | E | A | -1.0378 | |
| 874 | K | A | -1.2643 | |
| 875 | I | A | 0.0000 | |
| 876 | M | A | 0.0000 | |
| 877 | G | A | -1.3269 | |
| 878 | N | A | -1.5737 | |
| 879 | L | A | -0.6990 | |
| 880 | G | A | -0.8484 | |
| 881 | A | A | 0.0000 | |
| 882 | A | A | -0.9501 | |
| 883 | D | A | -2.1917 | |
| 884 | I | A | 0.0000 | |
| 885 | D | A | -2.9146 | |
| 886 | H | A | -3.1329 | |
| 887 | K | A | -3.2503 | |
| 888 | L | A | 0.0000 | |
| 889 | E | A | 0.0000 | |
| 890 | E | A | -3.1132 | |
| 891 | Q | A | -2.9195 | |
| 892 | L | A | 0.0000 | |
| 893 | I | A | 0.0000 | |
| 894 | D | A | -2.5403 | |
| 895 | G | A | 0.0000 | |
| 896 | I | A | 0.0000 | |
| 897 | L | A | -0.8841 | |
| 898 | Y | A | -0.6825 | |
| 899 | A | A | 0.0000 | |
| 900 | F | A | 0.0000 | |
| 901 | Q | A | -0.8069 | |
| 902 | E | A | -1.5734 | |
| 903 | Q | A | -1.0371 | |
| 904 | T | A | -0.6936 | |
| 905 | T | A | -0.9206 | |
| 906 | E | A | -1.1931 | |
| 907 | D | A | -0.9278 | |
| 908 | S | A | -0.6245 | |
| 909 | V | A | -0.3751 | |
| 910 | M | A | 0.0000 | |
| 911 | L | A | 0.0000 | |
| 912 | N | A | -0.7651 | |
| 913 | G | A | 0.0000 | |
| 914 | F | A | 0.0000 | |
| 915 | G | A | 0.0000 | |
| 916 | T | A | -0.8253 | |
| 917 | V | A | 0.0000 | |
| 918 | V | A | 0.0000 | |
| 919 | N | A | -1.0620 | |
| 920 | A | A | -0.9252 | |
| 921 | L | A | 0.0000 | |
| 922 | G | A | -1.3356 | |
| 923 | K | A | -2.7400 | |
| 924 | R | A | -2.0664 | |
| 925 | V | A | 0.0000 | |
| 926 | K | A | -2.1481 | |
| 927 | P | A | -1.2577 | |
| 928 | Y | A | -1.2608 | |
| 929 | L | A | 0.0000 | |
| 930 | P | A | -1.1205 | |
| 931 | Q | A | -1.3788 | |
| 932 | I | A | 0.0000 | |
| 933 | C | A | 0.0000 | |
| 934 | G | A | -0.5166 | |
| 935 | T | A | 0.0000 | |
| 936 | V | A | 0.0000 | |
| 937 | L | A | -0.0469 | |
| 938 | W | A | 0.2625 | |
| 939 | R | A | 0.0000 | |
| 940 | L | A | 0.0000 | |
| 941 | N | A | -1.4567 | |
| 942 | N | A | -1.6694 | |
| 943 | K | A | -2.3254 | |
| 944 | S | A | -1.6362 | |
| 945 | A | A | -1.4765 | |
| 946 | K | A | -1.8183 | |
| 947 | V | A | 0.0000 | |
| 948 | R | A | -1.4172 | |
| 949 | Q | A | -0.9910 | |
| 950 | Q | A | 0.0000 | |
| 951 | A | A | 0.0000 | |
| 952 | A | A | 0.0000 | |
| 953 | D | A | -0.6881 | |
| 954 | L | A | 0.0000 | |
| 955 | I | A | 0.0000 | |
| 956 | S | A | -0.3738 | |
| 957 | R | A | -0.7578 | |
| 958 | T | A | 0.0000 | |
| 959 | A | A | 0.0000 | |
| 960 | V | A | 1.2159 | |
| 961 | V | A | 0.0000 | |
| 962 | M | A | 0.0000 | |
| 963 | K | A | -1.0437 | |
| 964 | T | A | -0.9885 | |
| 965 | C | A | 0.0000 | |
| 966 | Q | A | -2.3491 | |
| 967 | E | A | -2.0386 | |
| 968 | E | A | -2.1150 | |
| 969 | K | A | -2.5412 | |
| 970 | L | A | -1.4693 | |
| 971 | M | A | 0.0000 | |
| 972 | G | A | -1.0745 | |
| 973 | H | A | -0.8146 | |
| 974 | L | A | 0.0000 | |
| 975 | G | A | 0.0000 | |
| 976 | V | A | 0.5551 | |
| 977 | V | A | -0.0444 | |
| 978 | L | A | 0.0000 | |
| 979 | Y | A | -0.5377 | |
| 980 | E | A | -1.3822 | |
| 981 | Y | A | -0.9510 | |
| 982 | L | A | 0.0000 | |
| 983 | G | A | -1.2297 | |
| 984 | E | A | -1.2724 | |
| 985 | E | A | -1.5720 | |
| 986 | Y | A | -0.3170 | |
| 987 | P | A | -1.2032 | |
| 988 | E | A | -1.6331 | |
| 989 | V | A | 0.0000 | |
| 990 | L | A | 0.0000 | |
| 991 | G | A | 0.0000 | |
| 992 | S | A | 0.0000 | |
| 993 | I | A | 0.0000 | |
| 994 | L | A | 0.0000 | |
| 995 | G | A | -0.5746 | |
| 996 | A | A | 0.0000 | |
| 997 | L | A | 0.0000 | |
| 998 | K | A | -0.6813 | |
| 999 | A | A | -0.0833 | |
| 1000 | I | A | 0.0000 | |
| 1001 | V | A | 0.0000 | |
| 1002 | N | A | -0.3528 | |
| 1003 | V | A | 0.2764 | |
| 1004 | I | A | 0.0000 | |
| 1005 | G | A | -0.9517 | |
| 1006 | M | A | -0.9942 | |
| 1007 | H | A | -1.6013 | |
| 1008 | K | A | -2.0144 | |
| 1009 | M | A | 0.0000 | |
| 1010 | T | A | -0.7558 | |
| 1011 | P | A | 0.0000 | |
| 1012 | P | A | -1.5662 | |
| 1013 | I | A | 0.0000 | |
| 1014 | K | A | -2.8152 | |
| 1015 | D | A | -2.8129 | |
| 1016 | L | A | 0.0000 | |
| 1017 | L | A | 0.0000 | |
| 1018 | P | A | -1.3850 | |
| 1019 | R | A | -1.4700 | |
| 1020 | L | A | 0.0000 | |
| 1021 | T | A | 0.0000 | |
| 1022 | P | A | -1.0740 | |
| 1023 | I | A | 0.0000 | |
| 1024 | L | A | 0.0000 | |
| 1025 | K | A | -2.7800 | |
| 1026 | N | A | -2.4450 | |
| 1027 | R | A | -2.9344 | |
| 1028 | H | A | -2.3705 | |
| 1029 | E | A | -2.6749 | |
| 1030 | K | A | -1.9483 | |
| 1031 | V | A | 0.0000 | |
| 1032 | Q | A | -1.9068 | |
| 1033 | E | A | -1.6861 | |
| 1034 | N | A | -0.9729 | |
| 1035 | C | A | 0.0000 | |
| 1036 | I | A | 0.0000 | |
| 1037 | D | A | -1.3492 | |
| 1038 | L | A | 0.0000 | |
| 1039 | V | A | 0.0000 | |
| 1040 | G | A | 0.0000 | |
| 1041 | R | A | -1.9599 | |
| 1042 | I | A | 0.0000 | |
| 1043 | A | A | 0.0000 | |
| 1044 | D | A | -2.9763 | |
| 1045 | R | A | -2.3224 | |
| 1046 | G | A | 0.0000 | |
| 1047 | A | A | -1.5942 | |
| 1048 | E | A | -2.0488 | |
| 1049 | Y | A | -1.2315 | |
| 1050 | V | A | -1.2171 | |
| 1051 | S | A | -1.0545 | |
| 1052 | A | A | -1.2820 | |
| 1053 | R | A | -2.3163 | |
| 1054 | E | A | -1.7369 | |
| 1055 | W | A | 0.0000 | |
| 1056 | M | A | -1.2807 | |
| 1057 | R | A | -1.9754 | |
| 1058 | I | A | 0.0000 | |
| 1059 | C | A | 0.0000 | |
| 1060 | F | A | 0.2818 | |
| 1061 | E | A | -1.0882 | |
| 1062 | L | A | 0.0000 | |
| 1063 | L | A | -0.6775 | |
| 1064 | E | A | -2.2263 | |
| 1065 | L | A | 0.0000 | |
| 1066 | L | A | 0.0000 | |
| 1067 | K | A | -3.0907 | |
| 1068 | A | A | -2.6371 | |
| 1069 | H | A | -2.4004 | |
| 1070 | K | A | -2.7122 | |
| 1071 | K | A | -2.6964 | |
| 1072 | A | A | -2.0302 | |
| 1073 | I | A | 0.0000 | |
| 1074 | R | A | -2.5277 | |
| 1075 | R | A | -2.6940 | |
| 1076 | A | A | -1.7248 | |
| 1077 | T | A | 0.0000 | |
| 1078 | V | A | 0.0000 | |
| 1079 | N | A | -1.3442 | |
| 1080 | T | A | 0.0000 | |
| 1081 | F | A | 0.0000 | |
| 1082 | G | A | 0.0000 | |
| 1083 | Y | A | -1.1929 | |
| 1084 | I | A | 0.0000 | |
| 1085 | A | A | 0.0000 | |
| 1086 | K | A | -1.8296 | |
| 1087 | A | A | -1.2330 | |
| 1088 | I | A | -0.6727 | |
| 1089 | G | A | -0.7678 | |
| 1090 | P | A | -0.9739 | |
| 1091 | H | A | -1.2655 | |
| 1092 | D | A | -1.0563 | |
| 1093 | V | A | 0.0000 | |
| 1094 | L | A | 0.0000 | |
| 1095 | A | A | -0.7527 | |
| 1096 | T | A | -0.3857 | |
| 1097 | L | A | 0.0000 | |
| 1098 | L | A | 0.0000 | |
| 1099 | N | A | -1.7318 | |
| 1100 | N | A | 0.0000 | |
| 1101 | L | A | 0.0000 | |
| 1102 | K | A | -2.3920 | |
| 1103 | V | A | -1.7416 | |
| 1104 | Q | A | -2.3154 | |
| 1105 | E | A | -2.5310 | |
| 1106 | R | A | -3.0134 | |
| 1107 | Q | A | -2.6924 | |
| 1108 | N | A | 0.0000 | |
| 1109 | R | A | -1.8691 | |
| 1110 | V | A | -0.6278 | |
| 1111 | C | A | 0.0000 | |
| 1112 | T | A | 0.0000 | |
| 1113 | T | A | 0.0000 | |
| 1114 | V | A | 0.4368 | |
| 1115 | A | A | 0.0000 | |
| 1116 | I | A | 0.0000 | |
| 1117 | A | A | 0.0000 | |
| 1118 | I | A | 0.0000 | |
| 1119 | V | A | 0.0000 | |
| 1120 | A | A | 0.0000 | |
| 1121 | E | A | -0.6040 | |
| 1122 | T | A | -0.8587 | |
| 1123 | C | A | -0.4175 | |
| 1124 | S | A | 0.3101 | |
| 1125 | P | A | 0.0000 | |
| 1126 | F | A | 1.6033 | |
| 1127 | T | A | 0.5828 | |
| 1128 | V | A | 0.0000 | |
| 1129 | L | A | 0.0000 | |
| 1130 | P | A | -0.1471 | |
| 1131 | A | A | -0.5143 | |
| 1132 | L | A | 0.0000 | |
| 1133 | M | A | -1.1185 | |
| 1134 | N | A | -2.0110 | |
| 1135 | E | A | -2.0583 | |
| 1136 | Y | A | 0.0000 | |
| 1137 | R | A | -2.3609 | |
| 1138 | V | A | -1.2180 | |
| 1139 | P | A | -0.6802 | |
| 1140 | E | A | -0.7695 | |
| 1141 | L | A | 0.5647 | |
| 1142 | N | A | -1.0375 | |
| 1143 | V | A | 0.0000 | |
| 1144 | Q | A | -0.7772 | |
| 1145 | N | A | -0.2071 | |
| 1146 | G | A | 0.0000 | |
| 1147 | V | A | 0.0000 | |
| 1148 | L | A | 0.0000 | |
| 1149 | K | A | -0.1581 | |
| 1150 | S | A | 0.0000 | |
| 1151 | L | A | 0.0000 | |
| 1152 | S | A | 0.0000 | |
| 1153 | F | A | 0.4120 | |
| 1154 | L | A | 0.0000 | |
| 1155 | F | A | 0.0000 | |
| 1156 | E | A | -1.3164 | |
| 1157 | Y | A | -0.1075 | |
| 1158 | I | A | 0.0000 | |
| 1159 | G | A | -1.1092 | |
| 1160 | E | A | -1.7703 | |
| 1161 | M | A | -1.0968 | |
| 1162 | G | A | 0.0000 | |
| 1163 | K | A | -1.3552 | |
| 1164 | D | A | -1.5764 | |
| 1165 | Y | A | -0.1047 | |
| 1166 | I | A | 0.0000 | |
| 1167 | Y | A | 0.8986 | |
| 1168 | A | A | 0.5802 | |
| 1169 | V | A | 0.0000 | |
| 1170 | T | A | -0.0738 | |
| 1171 | P | A | -0.5690 | |
| 1172 | L | A | 0.0000 | |
| 1173 | L | A | 0.0000 | |
| 1174 | E | A | -1.3711 | |
| 1175 | D | A | -2.0432 | |
| 1176 | A | A | 0.0000 | |
| 1177 | L | A | 0.0000 | |
| 1178 | M | A | -0.5506 | |
| 1179 | D | A | -1.6338 | |
| 1180 | R | A | -2.1049 | |
| 1181 | D | A | -0.7480 | |
| 1182 | L | A | -0.1262 | |
| 1183 | V | A | 0.4431 | |
| 1184 | H | A | 0.0000 | |
| 1185 | R | A | -0.4946 | |
| 1186 | Q | A | -0.1195 | |
| 1187 | T | A | 0.0000 | |
| 1188 | A | A | 0.0000 | |
| 1189 | S | A | 0.0000 | |
| 1190 | A | A | -0.3765 | |
| 1191 | V | A | 0.0000 | |
| 1192 | V | A | 0.0000 | |
| 1193 | Q | A | -0.5059 | |
| 1194 | H | A | -0.2872 | |
| 1195 | M | A | 0.0000 | |
| 1196 | S | A | 0.0000 | |
| 1197 | L | A | 0.2649 | |
| 1198 | G | A | -0.3573 | |
| 1199 | V | A | 0.0000 | |
| 1200 | Y | A | 1.1454 | |
| 1201 | G | A | 0.4183 | |
| 1202 | F | A | 0.5470 | |
| 1203 | G | A | -0.3572 | |
| 1204 | C | A | 0.0000 | |
| 1205 | E | A | -1.6676 | |
| 1206 | D | A | -2.4623 | |
| 1207 | S | A | 0.0000 | |
| 1208 | L | A | 0.0000 | |
| 1209 | N | A | -1.5660 | |
| 1210 | H | A | -1.4319 | |
| 1211 | L | A | 0.0000 | |
| 1212 | L | A | 0.0000 | |
| 1213 | N | A | -1.0964 | |
| 1214 | Y | A | -0.5179 | |
| 1215 | V | A | 0.0000 | |
| 1216 | W | A | 0.0000 | |
| 1217 | P | A | -0.0366 | |
| 1218 | N | A | 0.0000 | |
| 1219 | V | A | 0.0000 | |
| 1220 | F | A | 0.9500 | |
| 1221 | E | A | 0.1991 | |
| 1222 | T | A | -0.0741 | |
| 1223 | S | A | -0.2853 | |
| 1224 | P | A | -0.6999 | |
| 1225 | H | A | -0.8002 | |
| 1226 | V | A | 0.0000 | |
| 1227 | I | A | -0.0191 | |
| 1228 | Q | A | -0.7796 | |
| 1229 | A | A | -0.4796 | |
| 1230 | V | A | 0.0000 | |
| 1231 | M | A | -0.4090 | |
| 1232 | G | A | -0.4541 | |
| 1233 | A | A | 0.0000 | |
| 1234 | L | A | 0.0000 | |
| 1235 | E | A | -0.8494 | |
| 1236 | G | A | 0.0000 | |
| 1237 | L | A | 0.0000 | |
| 1238 | R | A | -0.2980 | |
| 1239 | V | A | 0.4557 | |
| 1240 | A | A | 0.0000 | |
| 1241 | I | A | -0.4896 | |
| 1242 | G | A | -0.2054 | |
| 1243 | P | A | -0.7239 | |
| 1244 | C | A | -0.3165 | |
| 1245 | R | A | -1.1253 | |
| 1246 | M | A | 0.0000 | |
| 1247 | L | A | 0.0000 | |
| 1248 | Q | A | -1.2097 | |
| 1249 | Y | A | -0.6554 | |
| 1250 | C | A | 0.0000 | |
| 1251 | L | A | -0.0185 | |
| 1252 | Q | A | -0.8878 | |
| 1253 | G | A | 0.0000 | |
| 1254 | L | A | 0.0000 | |
| 1255 | F | A | 1.1908 | |
| 1256 | H | A | -0.5822 | |
| 1257 | P | A | -0.7540 | |
| 1258 | A | A | -1.5996 | |
| 1259 | R | A | -2.9044 | |
| 1260 | K | A | -2.8321 | |
| 1261 | V | A | 0.0000 | |
| 1262 | R | A | -1.9657 | |
| 1263 | D | A | -2.1806 | |
| 1264 | V | A | -1.1343 | |
| 1265 | Y | A | 0.0000 | |
| 1266 | W | A | -0.4564 | |
| 1267 | K | A | -1.7925 | |
| 1268 | I | A | 0.0000 | |
| 1269 | Y | A | -0.0979 | |
| 1270 | N | A | -0.7281 | |
| 1271 | S | A | -0.3229 | |
| 1272 | I | A | 0.0000 | |
| 1273 | Y | A | 0.2706 | |
| 1274 | I | A | 1.3486 | |
| 1275 | G | A | 0.0726 | |
| 1276 | S | A | -0.3680 | |
| 1277 | Q | A | -1.1412 | |
| 1278 | D | A | -1.6375 | |
| 1279 | A | A | -0.6746 | |
| 1280 | L | A | 0.0000 | |
| 1281 | I | A | 0.7353 | |
| 1282 | A | A | 0.6064 | |
| 1283 | H | A | -0.3429 | |
| 1284 | Y | A | 0.3374 | |
| 1285 | P | A | -0.2550 | |
| 1286 | R | A | -0.6773 | |
| 1287 | I | A | 1.4299 | |
| 1288 | Y | A | 1.0096 | |
| 1289 | N | A | -1.4183 | |
| 1290 | D | A | -3.1069 | |
| 1291 | D | A | -3.8423 | |
| 1292 | K | A | -3.6544 | |
| 1293 | N | A | -2.7704 | |
| 1294 | T | A | -1.0189 | |
| 1295 | Y | A | 0.2215 | |
| 1296 | I | A | 0.1458 | |
| 1297 | R | A | -0.1374 | |
| 1298 | Y | A | 0.2560 | |
| 1299 | E | A | -0.5482 | |
| 1300 | L | A | 0.9121 | |
| 1301 | D | A | 0.3216 | |
| 1302 | Y | A | 2.0544 | |
| 1303 | I | A | 3.0600 | |
| 1304 | L | A | 2.6930 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5304 | 5.7402 | View | CSV | PDB |
| 4.5 | -0.6135 | 5.5377 | View | CSV | PDB |
| 5.0 | -0.7148 | 5.2921 | View | CSV | PDB |
| 5.5 | -0.8159 | 5.036 | View | CSV | PDB |
| 6.0 | -0.8994 | 4.9444 | View | CSV | PDB |
| 6.5 | -0.954 | 4.9443 | View | CSV | PDB |
| 7.0 | -0.9785 | 4.9443 | View | CSV | PDB |
| 7.5 | -0.9813 | 4.9443 | View | CSV | PDB |
| 8.0 | -0.9708 | 4.9443 | View | CSV | PDB |
| 8.5 | -0.9496 | 4.944 | View | CSV | PDB |
| 9.0 | -0.9165 | 4.9433 | 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