==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-AUG-00 1FHR . COMPND 2 MOLECULE: PROTEIN KINASE SPK1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR I.-J.L.BYEON,H.LIAO,S.YONGKIETTRAKUL,M.-D.TSAI . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 31 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 3 1 1 0 1 1 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 0 0 1 1 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 1 573 A G 0 0 81 0, 0.0 124,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.9 -12.9 11.0 -29.2 2 574 A N + 0 0 155 1,-0.1 3,-0.1 21,-0.0 21,-0.0 0.277 360.0 35.0 -90.1 10.3 -13.5 12.6 -25.8 3 575 A G S S+ 0 0 29 1,-0.2 22,-0.5 21,-0.1 2,-0.4 0.553 107.7 65.4-132.5 -25.8 -12.8 9.3 -24.0 4 576 A R + 0 0 59 19,-0.3 19,-0.2 1,-0.1 -1,-0.2 -0.890 38.5 150.5-110.1 134.3 -10.1 7.5 -26.1 5 577 A F + 0 0 2 17,-2.2 120,-0.9 -2,-0.4 121,-0.9 0.630 68.6 37.7-122.5 -46.9 -6.6 8.9 -26.4 6 578 A L E -AB 22 124A 0 16,-2.0 16,-1.2 118,-0.2 2,-0.5 -0.896 65.0-153.9-115.5 143.0 -4.4 5.8 -26.9 7 579 A T E -AB 21 123A 5 116,-1.0 116,-3.7 -2,-0.4 2,-0.7 -0.942 6.9-172.9-122.0 115.0 -5.2 2.6 -28.9 8 580 A L E -AB 20 122A 7 12,-3.5 12,-3.9 -2,-0.5 114,-0.2 -0.905 13.0-172.7-104.8 109.8 -3.6 -0.7 -28.0 9 581 A K E - B 0 121A 65 112,-1.7 112,-1.2 -2,-0.7 10,-0.3 -0.850 19.8-140.1-114.5 105.1 -4.6 -3.2 -30.6 10 582 A P E - B 0 120A 5 0, 0.0 110,-0.2 0, 0.0 108,-0.0 -0.349 31.9-130.5 -57.1 123.3 -3.7 -6.9 -30.2 11 583 A L > - 0 0 30 108,-1.7 3,-1.9 6,-0.2 108,-0.2 -0.463 11.3-117.9 -83.0 153.9 -2.7 -8.1 -33.7 12 584 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.761 112.0 68.4 -57.3 -27.7 -3.9 -11.2 -35.6 13 585 A D T 3 S+ 0 0 146 106,-0.1 104,-0.4 103,-0.0 2,-0.2 0.785 96.6 66.9 -64.0 -26.2 -0.3 -12.5 -35.6 14 586 A S S < S- 0 0 4 -3,-1.9 104,-0.2 2,-0.5 102,-0.1 -0.650 103.1-105.2 -96.0 154.3 -0.7 -12.9 -31.9 15 587 A I S S+ 0 0 72 102,-0.8 2,-0.3 -2,-0.2 103,-0.1 0.784 112.6 67.2 -44.9 -26.0 -3.0 -15.3 -30.1 16 588 A I + 0 0 12 101,-0.3 -2,-0.5 -5,-0.2 103,-0.2 -0.694 56.3 172.7 -96.9 149.7 -4.9 -12.1 -29.5 17 589 A Q + 0 0 115 -2,-0.3 2,-0.2 -4,-0.1 -6,-0.2 -0.342 41.6 108.6-155.5 58.4 -6.6 -10.1 -32.3 18 590 A E - 0 0 100 -7,-0.1 2,-0.4 2,-0.0 -2,-0.0 -0.715 60.7-122.6-127.0 176.4 -8.6 -7.5 -30.6 19 591 A S - 0 0 80 -10,-0.3 2,-0.4 -2,-0.2 -10,-0.3 -0.959 24.2-178.1-132.0 116.3 -8.3 -3.7 -30.2 20 592 A L E -A 8 0A 27 -12,-3.9 -12,-3.5 -2,-0.4 2,-0.5 -0.907 8.8-158.9-113.3 138.4 -8.2 -2.0 -26.8 21 593 A E E -A 7 0A 81 -2,-0.4 -14,-0.3 -14,-0.3 2,-0.3 -0.964 11.3-139.1-123.9 124.2 -8.1 1.7 -26.3 22 594 A I E -A 6 0A 4 -16,-1.2 -17,-2.2 -2,-0.5 -16,-2.0 -0.564 26.0-123.5 -76.6 136.1 -6.8 3.5 -23.2 23 595 A Q > - 0 0 56 -2,-0.3 3,-2.1 -19,-0.2 -19,-0.3 -0.643 14.4-124.5 -82.9 136.2 -8.9 6.5 -22.2 24 596 A Q T 3 S+ 0 0 37 -21,-0.4 -1,-0.1 -2,-0.3 -20,-0.1 0.770 118.2 47.1 -47.6 -24.2 -7.1 9.8 -22.0 25 597 A G T 3 S+ 0 0 61 -22,-0.5 2,-0.8 1,-0.0 -1,-0.3 0.662 91.8 90.0 -92.5 -19.2 -8.6 9.8 -18.5 26 598 A V < - 0 0 41 -3,-2.1 3,-0.2 -23,-0.3 -1,-0.0 -0.717 63.5-165.3 -86.6 113.5 -7.6 6.2 -17.6 27 599 A N + 0 0 68 -2,-0.8 27,-0.2 1,-0.3 2,-0.1 -0.961 64.1 17.9-146.8 124.8 -4.2 6.1 -16.0 28 600 A P S S- 0 0 8 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.603 75.7-149.6 -92.8 160.6 -2.5 3.7 -15.6 29 601 A F E -F 53 0B 5 24,-3.7 24,-3.1 -3,-0.2 2,-0.3 -0.778 18.2-144.9 -90.5 120.3 -3.9 1.1 -17.9 30 602 A F E -F 52 0B 8 -2,-0.6 9,-4.2 22,-0.3 2,-0.4 -0.699 15.2-168.9 -91.5 138.2 -3.3 -2.3 -16.4 31 603 A I E +Fg 51 39B 8 20,-4.7 20,-3.8 -2,-0.3 2,-0.2 -0.974 28.6 98.4-127.8 140.5 -2.5 -5.4 -18.5 32 604 A G E S- g 0 40B 0 7,-0.6 9,-1.1 -2,-0.4 5,-0.2 -0.867 81.4 -71.4 161.0 166.7 -2.4 -9.0 -17.6 33 605 A R S S+ 0 0 80 14,-2.0 2,-0.6 -2,-0.2 15,-0.2 0.820 109.2 85.6 -49.5 -32.6 -4.2 -12.4 -17.5 34 606 A S S > S- 0 0 14 14,-0.8 3,-3.0 13,-0.5 7,-0.1 -0.615 78.6-144.9 -75.3 118.1 -6.4 -10.8 -14.9 35 607 A E T 3 S+ 0 0 142 -2,-0.6 -1,-0.2 1,-0.3 -5,-0.1 0.739 93.0 85.8 -55.8 -18.8 -9.2 -8.9 -16.6 36 608 A D T 3 + 0 0 96 2,-0.0 2,-0.5 -5,-0.0 -1,-0.3 0.840 69.2 96.2 -49.8 -29.2 -8.9 -6.5 -13.7 37 609 A C S < S- 0 0 1 -3,-3.0 -5,-0.2 -5,-0.2 -6,-0.1 -0.495 88.2-131.7 -65.1 113.4 -6.2 -5.2 -16.0 38 610 A N S S+ 0 0 82 -2,-0.5 2,-0.3 -10,-0.2 -7,-0.2 0.820 101.3 53.2 -35.9 -36.8 -7.8 -2.3 -17.9 39 611 A C E S-g 31 0B 0 -9,-4.2 -7,-0.6 -19,-0.1 2,-0.5 -0.775 91.0-134.9-100.6 143.0 -6.3 -4.0 -20.9 40 612 A K E +g 32 0B 86 -2,-0.3 2,-0.4 -9,-0.2 -7,-0.1 -0.901 31.3 160.2-111.1 124.3 -7.1 -7.7 -21.4 41 613 A I - 0 0 1 -9,-1.1 2,-1.0 -2,-0.5 9,-0.1 -0.933 18.3-164.4-138.6 110.9 -4.4 -10.3 -22.3 42 614 A E + 0 0 125 -2,-0.4 2,-0.4 -7,-0.0 -9,-0.1 -0.795 29.3 145.8-103.6 99.4 -5.0 -14.0 -21.7 43 615 A D > - 0 0 6 -2,-1.0 3,-2.0 4,-0.1 -10,-0.2 -0.962 49.5-138.3-133.0 111.0 -1.7 -15.8 -21.9 44 616 A N T 3 S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 -11,-0.0 0.776 110.7 48.8 -36.0 -35.0 -1.2 -18.8 -19.7 45 617 A R T 3 S+ 0 0 80 2,-0.1 -1,-0.3 -3,-0.1 38,-0.2 0.828 95.1 91.4 -77.6 -34.1 2.3 -17.4 -19.2 46 618 A L S < S- 0 0 0 -3,-2.0 2,-0.2 1,-0.1 -14,-0.1 -0.132 71.2-134.4 -59.1 158.4 1.1 -13.9 -18.4 47 619 A S > - 0 0 10 -16,-0.1 -14,-2.0 1,-0.1 3,-1.2 -0.574 26.6 -94.6-110.2 175.0 0.4 -12.8 -14.8 48 620 A R T 3 S+ 0 0 99 1,-0.3 2,-1.2 -16,-0.2 -14,-0.8 0.977 125.9 21.6 -51.7 -73.2 -2.5 -11.0 -13.1 49 621 A V T 3 S+ 0 0 22 1,-0.2 -1,-0.3 31,-0.1 -17,-0.2 -0.476 82.8 163.8 -95.0 61.7 -1.0 -7.5 -13.2 50 622 A H < - 0 0 0 -3,-1.2 30,-1.7 -2,-1.2 31,-1.3 0.852 63.1 -37.1 -45.7 -47.6 1.3 -8.5 -16.1 51 623 A C E -FH 31 79B 0 -20,-3.8 -20,-4.7 29,-0.3 2,-0.3 -0.959 55.5-150.2-173.3 162.7 2.0 -4.9 -17.0 52 624 A F E -FH 30 78B 0 26,-3.8 26,-4.0 -22,-0.3 2,-0.6 -0.998 16.6-129.6-147.2 149.8 0.4 -1.5 -17.1 53 625 A I E -FH 29 77B 5 -24,-3.1 -24,-3.7 -2,-0.3 2,-0.3 -0.876 31.3-167.4-101.4 119.6 0.8 1.7 -19.1 54 626 A F E - H 0 76B 17 22,-3.7 22,-4.2 -2,-0.6 2,-0.4 -0.783 11.0-140.0-109.1 152.7 1.1 4.7 -16.9 55 627 A K E + H 0 75B 27 -2,-0.3 2,-0.3 20,-0.3 20,-0.3 -0.924 21.5 177.6-115.3 136.3 0.8 8.4 -17.8 56 628 A K E - H 0 74B 83 18,-3.5 18,-4.3 -2,-0.4 2,-0.7 -0.944 37.4 -98.6-136.0 156.9 3.0 11.1 -16.3 57 629 A R E - H 0 73B 152 -2,-0.3 16,-0.3 16,-0.3 2,-0.3 -0.649 40.7-131.7 -78.6 113.0 3.4 14.9 -16.8 58 630 A H E - H 0 72B 39 14,-1.4 14,-1.0 -2,-0.7 2,-0.4 -0.473 20.9-149.1 -67.4 126.1 6.4 15.5 -19.1 59 631 A A - 0 0 79 -2,-0.3 2,-0.2 12,-0.2 12,-0.1 -0.801 5.4-148.2-101.5 140.2 8.8 18.1 -17.6 60 632 A V - 0 0 62 -2,-0.4 2,-1.1 1,-0.0 3,-0.1 -0.647 23.7-115.1-103.1 161.1 10.9 20.4 -19.7 61 633 A G - 0 0 68 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 -0.346 63.9 -92.9 -91.0 54.6 14.3 21.9 -19.0 62 634 A K - 0 0 180 -2,-1.1 -1,-0.3 1,-0.1 2,-0.2 0.185 40.0-133.0 58.5 173.0 13.1 25.5 -18.8 63 635 A S - 0 0 63 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.739 17.2-165.4-167.6 113.9 13.1 27.8 -21.8 64 636 A M S S+ 0 0 195 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.244 82.6 19.2 -94.3 44.5 14.4 31.4 -22.2 65 637 A Y S S- 0 0 215 -2,-0.4 2,-0.7 2,-0.1 -2,-0.0 -0.872 107.4 -51.4-174.3-153.5 12.6 31.8 -25.5 66 638 A E + 0 0 188 -2,-0.2 -2,-0.1 0, 0.0 -3,-0.0 -0.876 69.6 138.4-114.6 100.1 9.8 30.3 -27.6 67 639 A S - 0 0 55 -2,-0.7 3,-0.2 1,-0.2 -2,-0.1 -0.952 45.9-116.2-138.3 156.6 10.2 26.6 -28.0 68 640 A P S S+ 0 0 110 0, 0.0 2,-2.1 0, 0.0 -1,-0.2 0.322 80.7 71.7 -71.4-153.9 7.9 23.5 -28.0 69 641 A A + 0 0 24 62,-0.4 -11,-0.1 67,-0.1 3,-0.0 -0.489 61.4 156.2 80.0 -71.0 8.0 20.7 -25.5 70 642 A Q - 0 0 125 -2,-2.1 2,-0.6 -3,-0.2 61,-0.1 0.105 57.2 -50.0 42.1-161.3 6.6 22.7 -22.6 71 643 A G S S+ 0 0 29 -12,-0.1 2,-0.2 -11,-0.1 -12,-0.2 -0.924 80.1 120.2-113.5 121.2 4.9 20.7 -19.8 72 644 A L E -H 58 0B 39 -14,-1.0 -14,-1.4 -2,-0.6 2,-0.3 -0.556 58.4 -59.8-146.5-151.2 2.2 18.1 -20.7 73 645 A D E -Hi 57 130B 53 56,-0.6 58,-0.6 -16,-0.3 59,-0.4 -0.872 36.6-170.5-115.0 147.2 1.5 14.4 -20.3 74 646 A D E -H 56 0B 0 -18,-4.3 -18,-3.5 -2,-0.3 2,-0.6 -0.959 20.8-127.5-131.7 148.0 3.4 11.3 -21.5 75 647 A I E -H 55 0B 3 25,-0.4 25,-2.3 -2,-0.3 2,-0.4 -0.870 23.4-168.9-104.7 116.5 2.5 7.6 -21.5 76 648 A W E -HJ 54 99B 42 -22,-4.2 -22,-3.7 -2,-0.6 2,-0.6 -0.846 18.8-134.1-103.2 136.2 5.0 5.2 -20.0 77 649 A Y E -HJ 53 98B 3 21,-4.4 21,-1.2 -2,-0.4 2,-0.7 -0.780 21.6-163.2 -90.1 117.3 4.7 1.4 -20.3 78 650 A C E -HJ 52 97B 0 -26,-4.0 -26,-3.8 -2,-0.6 2,-0.3 -0.867 4.5-153.4-108.9 105.7 5.2 -0.2 -16.9 79 651 A H E +HJ 51 96B 0 17,-1.0 16,-3.3 -2,-0.7 17,-1.3 -0.587 23.8 164.4 -77.4 130.6 6.0 -3.9 -17.0 80 652 A T + 0 0 19 -30,-1.7 -29,-0.3 -2,-0.3 2,-0.3 0.256 44.1 102.0-126.0 5.1 5.0 -5.8 -13.8 81 653 A G > - 0 0 0 -31,-1.3 3,-0.8 1,-0.1 13,-0.6 -0.655 66.0-140.7 -95.9 151.8 5.2 -9.3 -15.1 82 654 A T T 3 S+ 0 0 41 -2,-0.3 -1,-0.1 1,-0.2 12,-0.1 0.732 99.0 71.3 -78.0 -24.4 8.0 -11.8 -14.5 83 655 A N T 3 S- 0 0 2 -38,-0.2 27,-0.3 81,-0.1 -1,-0.2 0.396 101.1-138.0 -73.0 4.0 7.7 -13.1 -18.1 84 656 A V < - 0 0 13 -3,-0.8 2,-0.3 -34,-0.1 9,-0.2 0.502 11.5-120.0 49.9 155.7 9.2 -9.8 -19.1 85 657 A S E -C 92 0A 1 7,-1.6 7,-1.5 -4,-0.1 2,-0.5 -0.852 9.0-135.1-125.2 161.3 8.0 -7.8 -22.1 86 658 A Y E -CD 91 107A 92 21,-4.4 21,-4.4 -2,-0.3 2,-0.6 -0.969 14.4-172.9-122.6 120.9 9.6 -6.6 -25.4 87 659 A L E > -CD 90 106A 0 3,-2.2 2,-2.7 -2,-0.5 3,-2.1 -0.883 65.5 -62.2-116.4 100.9 9.1 -3.0 -26.7 88 660 A N T 3 S- 0 0 119 17,-1.2 3,-0.0 -2,-0.6 18,-0.0 -0.363 121.3 -23.5 63.9 -76.3 10.6 -2.5 -30.2 89 661 A N T 3 S+ 0 0 144 -2,-2.7 2,-0.4 53,-0.1 -1,-0.3 0.108 116.2 99.1-152.3 22.2 14.1 -3.3 -29.1 90 662 A N E < -C 87 0A 41 -3,-2.1 -3,-2.2 53,-0.1 2,-0.3 -0.968 59.8-140.9-121.5 130.6 14.2 -2.6 -25.4 91 663 A R E -C 86 0A 139 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.663 16.3-170.5 -88.6 141.3 13.8 -5.2 -22.6 92 664 A M E -C 85 0A 0 -7,-1.5 -7,-1.6 -2,-0.3 2,-0.2 -0.943 6.1-156.3-138.0 115.1 11.8 -4.4 -19.5 93 665 A I > - 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