==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-07 2QMA . COMPND 2 MOLECULE: DIAMINOBUTYRATE-PYRUVATE TRANSAMINASE AND L-2,4- . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR J.OSIPIUK,A.SATHER,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 922 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 703 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 58 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 0 2 1 4 4 0 3 0 2 0 4 0 0 2 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 2 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 475 A A 0 0 96 0, 0.0 2,-2.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 117.7 43.2 93.6 32.5 2 476 A P >> + 0 0 54 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.310 360.0 155.5 -71.5 58.7 39.9 91.7 33.1 3 477 A Q H 3> + 0 0 38 -2,-2.5 4,-1.0 1,-0.3 904,-0.0 0.741 69.6 56.5 -61.5 -24.6 41.7 88.5 34.3 4 478 A E H 34 S+ 0 0 127 -3,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.853 108.5 45.0 -75.3 -35.7 38.6 87.5 36.3 5 479 A E H X4 S+ 0 0 115 -3,-0.6 3,-0.6 1,-0.2 4,-0.3 0.812 110.7 54.3 -76.7 -29.3 36.3 87.6 33.2 6 480 A W H >< S+ 0 0 5 -4,-2.1 3,-1.9 1,-0.2 4,-0.3 0.824 91.9 75.7 -66.5 -31.0 39.0 85.8 31.1 7 481 A K G >< S+ 0 0 75 -4,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.820 84.7 63.6 -50.0 -34.4 38.9 83.0 33.8 8 482 A K G < S+ 0 0 136 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.799 95.1 60.9 -61.2 -32.5 35.6 81.8 32.4 9 483 A H G < S+ 0 0 36 -3,-1.9 556,-3.4 -4,-0.3 2,-0.3 0.467 104.4 53.7 -73.7 -7.5 37.3 80.9 29.1 10 484 A F B < S-A 564 0A 4 -3,-1.6 2,-0.3 -4,-0.3 11,-0.1 -0.914 79.1-116.6-132.5 153.2 39.7 78.4 30.7 11 485 A I - 0 0 2 552,-0.6 2,-0.3 -2,-0.3 7,-0.2 -0.690 34.1-164.8 -81.6 145.8 39.7 75.2 32.9 12 486 A H - 0 0 40 5,-1.6 2,-0.1 -2,-0.3 540,-0.1 -0.917 16.8-116.8-129.0 157.7 41.4 75.6 36.3 13 487 A T S S+ 0 0 29 538,-0.5 489,-0.3 -2,-0.3 488,-0.1 -0.442 71.6 30.2 -82.7 161.6 42.6 73.1 38.8 14 488 A G S > S- 0 0 10 487,-2.4 3,-1.5 486,-0.2 4,-0.5 -0.253 104.0 -5.3 88.3-173.9 41.3 72.9 42.4 15 489 A E T 3 S- 0 0 163 1,-0.3 -2,-0.0 2,-0.1 488,-0.0 -0.301 132.5 -6.1 -63.1 132.2 37.9 73.6 44.0 16 490 A L T > S+ 0 0 144 1,-0.1 3,-0.8 2,-0.0 4,-0.4 0.382 99.0 116.5 69.1 -1.8 35.3 75.1 41.6 17 491 A G T < S+ 0 0 14 -3,-1.5 -5,-1.6 1,-0.2 4,-0.2 0.775 81.0 36.1 -69.8 -27.3 38.0 75.4 38.8 18 492 A S T 3> S+ 0 0 0 -4,-0.5 4,-2.3 -7,-0.2 -1,-0.2 0.221 85.2 103.2-111.3 12.9 36.2 73.0 36.5 19 493 A A H <> S+ 0 0 44 -3,-0.8 4,-2.0 2,-0.2 5,-0.1 0.951 86.4 43.0 -59.4 -49.4 32.6 73.9 37.2 20 494 A E H > S+ 0 0 93 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.900 111.3 57.7 -65.8 -38.8 32.1 75.9 34.1 21 495 A F H > S+ 0 0 6 -4,-0.2 4,-2.5 1,-0.2 5,-0.3 0.959 107.7 45.5 -52.8 -54.9 33.9 73.2 32.1 22 496 A A H X S+ 0 0 14 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.908 113.1 50.9 -56.9 -44.6 31.4 70.5 33.2 23 497 A S H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.876 112.5 45.7 -63.0 -41.1 28.4 72.8 32.5 24 498 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.927 114.8 46.2 -68.6 -46.2 29.7 73.6 28.9 25 499 A X H X S+ 0 0 10 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.896 111.7 51.3 -64.3 -44.5 30.5 70.0 28.0 26 500 A S H X S+ 0 0 53 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.912 111.0 49.9 -59.2 -43.1 27.2 68.8 29.4 27 501 A H H X S+ 0 0 52 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.921 112.6 46.8 -53.4 -49.0 25.5 71.5 27.2 28 502 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 110.9 50.9 -67.0 -41.2 27.5 70.3 24.2 29 503 A T H X S+ 0 0 10 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.928 112.2 48.5 -62.1 -43.8 26.7 66.6 24.9 30 504 A S H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 109.5 51.8 -60.2 -45.1 23.0 67.6 25.1 31 505 A A H X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.886 110.9 47.8 -62.8 -38.5 23.1 69.6 21.9 32 506 A X H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.865 107.8 55.2 -71.9 -35.3 24.7 66.6 20.0 33 507 A K H X S+ 0 0 63 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.952 108.8 48.1 -58.4 -49.8 22.1 64.2 21.4 34 508 A S H X S+ 0 0 53 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.882 112.6 49.9 -56.8 -40.7 19.3 66.5 20.0 35 509 A V H >X S+ 0 0 14 -4,-1.8 4,-0.9 2,-0.2 3,-0.6 0.979 111.8 45.7 -63.5 -55.8 21.2 66.6 16.7 36 510 A F H >< S+ 0 0 0 -4,-3.0 443,-2.4 1,-0.2 3,-0.7 0.882 111.2 54.6 -56.1 -39.8 21.6 62.8 16.4 37 511 A E H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 441,-0.2 -2,-0.2 0.853 110.5 44.7 -64.6 -33.3 17.9 62.3 17.5 38 512 A Q H << S+ 0 0 135 -4,-1.5 2,-0.3 -3,-0.6 -1,-0.2 0.526 88.5 107.7 -90.7 -8.1 16.6 64.5 14.7 39 513 A V << + 0 0 16 -4,-0.9 440,-0.3 -3,-0.7 41,-0.0 -0.555 30.6 159.4 -73.9 129.7 18.9 63.0 12.0 40 514 A N + 0 0 141 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.364 60.3 36.7-133.3 3.7 17.0 60.9 9.6 41 515 A A S S- 0 0 22 1,-0.1 43,-0.2 46,-0.0 381,-0.1 -0.938 83.3-107.4-148.0 161.2 19.3 60.8 6.5 42 516 A P S S+ 0 0 0 0, 0.0 42,-3.2 0, 0.0 2,-0.3 0.857 110.7 18.5 -57.7 -38.3 23.1 60.7 5.8 43 517 A Y S S- 0 0 1 378,-0.8 40,-0.1 40,-0.2 38,-0.1 -0.995 76.9-126.3-136.0 144.5 22.8 64.3 4.7 44 518 A S - 0 0 58 38,-0.4 37,-0.1 -2,-0.3 375,-0.1 0.689 39.5-129.8 -61.6 -20.9 20.2 67.0 5.4 45 519 A G + 0 0 27 1,-0.2 -1,-0.1 373,-0.2 376,-0.1 0.412 50.5 158.0 80.2 -0.1 19.7 67.7 1.6 46 520 A X - 0 0 77 1,-0.1 -1,-0.2 2,-0.1 375,-0.0 -0.225 56.4 -94.2 -51.0 139.9 20.1 71.5 2.2 47 521 A D > - 0 0 97 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.424 31.4-138.0 -56.1 125.4 21.2 73.3 -1.0 48 522 A P H > S+ 0 0 33 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.904 103.3 55.0 -60.8 -35.7 25.0 73.5 -0.7 49 523 A K H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.917 109.2 47.9 -60.5 -42.4 25.0 77.2 -1.9 50 524 A A H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 113.1 47.7 -60.2 -45.9 22.5 78.1 0.9 51 525 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 112.9 47.8 -65.3 -43.7 24.6 76.3 3.5 52 526 A E H X S+ 0 0 67 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.891 111.6 51.2 -63.0 -40.1 27.9 77.9 2.3 53 527 A D H X S+ 0 0 76 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.934 110.5 48.3 -62.9 -45.9 26.2 81.4 2.3 54 528 A A H < S+ 0 0 40 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.894 113.1 47.7 -63.0 -44.6 24.9 80.9 5.8 55 529 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.926 111.4 50.3 -60.5 -46.3 28.4 79.8 7.0 56 530 A N H 3< S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.788 103.5 60.8 -63.2 -28.1 30.1 82.7 5.3 57 531 A A T 3< S+ 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.626 78.3 117.7 -76.0 -13.7 27.6 85.2 6.8 58 532 A V < - 0 0 19 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.0 -0.316 68.1-125.7 -60.9 130.4 28.8 84.2 10.4 59 533 A D + 0 0 60 1,-0.1 4,-0.2 2,-0.1 5,-0.2 -0.708 33.4 170.1 -79.2 110.5 30.4 87.1 12.4 60 534 A L S S+ 0 0 1 -2,-0.7 -1,-0.1 3,-0.1 755,-0.1 0.149 76.4 42.7-100.0 15.8 33.9 86.0 13.7 61 535 A D S S+ 0 0 42 756,-0.1 758,-0.4 757,-0.1 -1,-0.1 0.723 122.3 20.2-125.7 -50.4 34.7 89.6 14.9 62 536 A N S S+ 0 0 132 1,-0.1 -2,-0.1 755,-0.1 752,-0.1 0.177 98.9 86.4-118.9 11.4 31.9 91.4 16.7 63 537 A K + 0 0 64 750,-0.2 751,-0.1 -4,-0.2 -3,-0.1 0.984 47.5 165.0 -73.9 -62.3 29.6 88.5 17.7 64 538 A N + 0 0 77 749,-0.5 751,-0.3 -5,-0.2 750,-0.1 0.865 23.9 171.1 45.1 49.7 31.4 87.7 21.0 65 539 A A - 0 0 17 749,-2.5 -1,-0.1 1,-0.1 -2,-0.1 -0.440 41.7 -82.3 -88.4 159.6 28.5 85.6 22.2 66 540 A P >> - 0 0 93 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.318 44.0-117.5 -61.2 147.1 28.2 83.3 25.3 67 541 A L H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.869 110.8 56.2 -60.8 -42.6 29.8 79.9 24.6 68 542 A K H 3> S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.876 107.9 48.6 -59.8 -36.6 26.6 78.0 25.1 69 543 A S H <> S+ 0 0 39 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.887 110.2 51.4 -70.0 -36.2 24.7 80.0 22.4 70 544 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.896 109.2 51.1 -64.0 -41.5 27.7 79.6 20.0 71 545 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.890 110.2 49.6 -58.3 -42.7 27.4 75.8 20.7 72 546 A D H X S+ 0 0 79 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.922 110.9 50.1 -63.2 -45.6 23.7 76.1 19.9 73 547 A D H X S+ 0 0 67 -4,-2.6 4,-2.2 2,-0.2 5,-0.4 0.854 112.0 46.2 -61.0 -43.6 24.4 77.9 16.7 74 548 A V H X>S+ 0 0 1 -4,-2.4 5,-2.2 2,-0.2 4,-1.7 0.894 110.7 52.8 -70.9 -38.2 27.0 75.4 15.5 75 549 A A H <>S+ 0 0 9 -4,-2.4 5,-2.3 3,-0.2 -2,-0.2 0.956 114.8 44.3 -57.2 -45.0 24.7 72.5 16.4 76 550 A E H <5S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.882 128.7 21.3 -67.5 -44.4 22.0 74.1 14.3 77 551 A L H <5S+ 0 0 37 -4,-2.2 4,-0.3 -5,-0.1 -3,-0.2 0.856 133.9 27.9 -96.6 -42.7 24.0 75.2 11.2 78 552 A V T <5S+ 0 0 0 -4,-1.7 3,-0.5 -5,-0.4 511,-0.3 0.961 124.7 38.1 -88.6 -57.2 27.1 73.0 11.2 79 553 A A T > - 0 0 3 -42,-3.2 3,-1.9 -2,-0.7 6,-0.2 -0.695 21.4-179.1 -90.9 98.1 26.3 61.3 9.2 85 559 A T T 3 S+ 0 0 4 -2,-1.1 -1,-0.2 492,-0.4 5,-0.1 0.688 82.2 68.1 -63.0 -17.7 28.5 58.2 9.1 86 560 A Q T 3 S+ 0 0 5 10,-0.1 392,-0.4 491,-0.1 -1,-0.3 0.586 80.5 90.6 -79.4 -14.2 26.2 56.8 11.7 87 561 A H S X S- 0 0 21 -3,-1.9 3,-2.3 390,-0.1 -47,-0.0 -0.722 81.8-130.9 -84.1 135.0 23.3 56.6 9.3 88 562 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 354,-0.1 0.722 104.9 59.9 -55.3 -26.7 23.1 53.3 7.4 89 563 A D T 3 S+ 0 0 11 -5,-0.1 335,-2.6 332,-0.1 2,-0.8 0.400 80.5 91.3 -91.2 5.1 22.9 55.0 4.0 90 564 A C B < +b 424 0B 23 -3,-2.3 335,-0.1 333,-0.2 -1,-0.1 -0.856 50.8 130.1 -93.2 102.3 26.2 56.7 4.5 91 565 A I + 0 0 7 333,-2.2 348,-2.4 -2,-0.8 335,-0.4 -0.050 26.0 101.2-155.4 33.6 28.3 54.0 2.8 92 566 A A S S+ 0 0 3 346,-0.2 2,-0.2 333,-0.2 334,-0.1 0.895 75.5 16.3 -94.8 -49.9 30.7 55.4 0.2 93 567 A H S S- 0 0 46 2,-0.2 2,-2.4 346,-0.1 346,-0.1 -0.559 88.3 -77.5-128.9 176.8 34.3 55.7 1.5 94 568 A L S S+ 0 0 26 -2,-0.2 2,-0.5 2,-0.1 346,-0.0 -0.431 82.2 129.0 -80.5 65.9 36.8 54.6 4.2 95 569 A H - 0 0 16 -2,-2.4 -2,-0.2 344,-0.2 217,-0.1 -0.963 50.6-145.2-130.6 105.0 35.1 57.1 6.5 96 570 A T - 0 0 0 215,-0.8 222,-0.2 -2,-0.5 -11,-0.1 -0.461 14.8-123.8 -93.1 138.6 34.3 55.4 9.7 97 571 A P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.677 50.7-109.2 -71.3 127.0 31.4 55.6 12.2 98 572 A P - 0 0 1 0, 0.0 378,-0.6 0, 0.0 2,-0.2 -0.391 22.0-123.6 -71.1 133.2 33.3 56.4 15.5 99 573 A L B >> -C 475 0C 0 216,-3.0 4,-2.1 -2,-0.1 3,-0.8 -0.493 22.3-121.7 -68.8 139.8 33.6 53.9 18.3 100 574 A X H 3> S+ 0 0 3 374,-3.4 4,-2.7 1,-0.3 5,-0.2 0.862 111.4 55.5 -52.3 -45.6 32.3 55.1 21.6 101 575 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.841 107.7 50.0 -59.5 -34.5 35.6 54.5 23.3 102 576 A A H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.906 111.0 49.3 -66.1 -42.5 37.4 56.7 20.7 103 577 A V H X S+ 0 0 4 -4,-2.1 4,-1.2 2,-0.2 -3,-0.1 0.930 112.8 46.2 -63.4 -44.6 34.7 59.5 21.3 104 578 A A H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.7 0.938 110.4 55.6 -60.9 -45.9 35.1 59.3 25.1 105 579 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.878 100.9 57.7 -54.8 -40.0 38.9 59.3 24.6 106 580 A E H 3X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.854 100.6 57.5 -61.4 -36.0 38.7 62.6 22.6 107 581 A A H - 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