==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-10 3LMI . COMPND 2 MOLECULE: MYOSIN HEAVY CHAIN KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR Q.YE,Z.JIA . 1003 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 221 22.0 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 68 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 4 4 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 4 11 9 8 0 4 4 0 4 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 . 4 0 4 0 0 0 0 4 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 1 556 A T 0 0 136 0, 0.0 2,-0.3 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 -56.6 -14.1 32.5 -16.3 2 557 A G - 0 0 30 23,-0.1 2,-0.3 43,-0.0 23,-0.2 -0.944 360.0 -74.1 165.6 176.3 -11.1 30.9 -18.0 3 558 A E E -A 24 0A 33 21,-2.7 21,-2.7 -2,-0.3 2,-0.2 -0.698 37.2-121.4-104.7 153.9 -9.9 29.2 -21.1 4 559 A M E -A 23 0A 44 -2,-0.3 135,-0.7 19,-0.2 2,-0.3 -0.532 28.8-175.6 -86.5 155.9 -10.6 25.7 -22.5 5 560 A G E -A 22 0A 0 17,-2.1 17,-1.9 -2,-0.2 2,-0.6 -0.996 30.3-127.4-148.4 151.0 -8.0 23.1 -23.3 6 561 A I E -AB 21 136A 3 130,-1.5 130,-2.4 -2,-0.3 2,-0.4 -0.907 36.7-153.8 -92.8 123.6 -7.6 19.7 -24.8 7 562 A L E -AB 20 135A 0 13,-1.6 13,-3.3 -2,-0.6 2,-0.5 -0.867 9.2-163.2-109.3 130.6 -5.6 17.7 -22.1 8 563 A W E -AB 19 134A 3 126,-2.9 126,-2.0 -2,-0.4 2,-0.4 -0.954 5.7-175.4-119.1 123.4 -3.4 14.7 -22.9 9 564 A E E -A 18 0A 10 9,-2.2 9,-3.2 -2,-0.5 2,-0.4 -0.938 15.0-146.1-113.2 135.6 -2.1 12.2 -20.4 10 565 A F E -A 17 0A 10 122,-0.4 7,-0.2 -2,-0.4 122,-0.1 -0.884 5.6-161.3-102.7 133.1 0.4 9.3 -21.4 11 566 A D E >>> -A 16 0A 24 5,-2.8 5,-1.4 -2,-0.4 3,-1.1 -0.883 1.5-167.5-114.3 101.6 0.2 5.9 -19.6 12 567 A P G >45S+ 0 0 37 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.866 82.2 61.5 -54.4 -43.0 3.4 4.0 -20.1 13 568 A I G 345S+ 0 0 45 1,-0.3 357,-0.1 2,-0.1 432,-0.0 0.733 117.6 29.1 -67.5 -22.2 2.1 0.6 -18.9 14 569 A I G <45S- 0 0 22 -3,-1.1 -1,-0.3 2,-0.2 3,-0.1 0.415 103.6-129.8-104.2 -0.8 -0.6 0.5 -21.7 15 570 A N T <<5 + 0 0 91 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.1 0.920 67.4 115.0 51.8 46.5 1.6 2.5 -24.1 16 571 A K E < -A 11 0A 55 -5,-1.4 -5,-2.8 51,-0.0 2,-0.4 -0.978 62.9-121.0-143.6 161.2 -1.4 4.8 -24.9 17 572 A W E -Ac 10 67A 6 49,-2.1 51,-3.1 -2,-0.3 2,-0.5 -0.786 17.3-147.5 -99.2 142.6 -2.6 8.4 -24.6 18 573 A I E -A 9 0A 1 -9,-3.2 -9,-2.2 -2,-0.4 2,-0.5 -0.941 14.3-149.3-107.7 127.6 -5.7 9.4 -22.7 19 574 A R E +A 8 0A 19 -2,-0.5 31,-0.5 49,-0.4 -11,-0.2 -0.883 29.3 150.0-107.4 124.2 -7.6 12.5 -24.2 20 575 A L E -AD 7 49A 0 -13,-3.3 -13,-1.6 -2,-0.5 2,-0.3 -0.603 34.4-119.8-132.6-171.3 -9.5 14.8 -21.9 21 576 A S E +AD 6 48A 14 27,-2.0 27,-2.9 -15,-0.2 2,-0.3 -0.955 25.6 173.7-132.9 157.1 -10.7 18.5 -21.5 22 577 A M E -AD 5 47A 2 -17,-1.9 -17,-2.1 -2,-0.3 2,-0.4 -0.979 24.8-133.4-152.2 167.4 -10.1 21.1 -18.9 23 578 A K E +A 4 0A 69 23,-1.9 22,-2.7 -2,-0.3 2,-0.3 -0.986 31.9 176.6-122.7 137.1 -10.7 24.7 -18.1 24 579 A L E -AD 3 44A 0 -21,-2.7 -21,-2.7 -2,-0.4 2,-0.4 -0.962 27.7-146.4-145.0 158.0 -7.9 26.9 -16.7 25 580 A K E - D 0 43A 120 18,-2.0 18,-2.2 -2,-0.3 2,-0.5 -0.983 22.0-165.5-127.7 114.8 -6.9 30.4 -15.6 26 581 A V E - D 0 42A 22 -2,-0.4 16,-0.2 16,-0.2 15,-0.1 -0.892 21.7-118.9-113.7 124.0 -3.3 31.5 -16.2 27 582 A E - 0 0 114 14,-1.9 -1,-0.0 -2,-0.5 16,-0.0 -0.104 28.0-121.0 -48.8 155.6 -1.5 34.5 -14.7 28 583 A R S S+ 0 0 213 2,-0.1 -1,-0.1 12,-0.0 -2,-0.0 0.800 88.7 45.5 -76.6 -33.4 -0.3 37.1 -17.3 29 584 A K S S- 0 0 130 12,-0.0 12,-0.4 1,-0.0 2,-0.1 -0.883 85.3-110.3-116.6 148.2 3.4 37.1 -16.5 30 585 A P - 0 0 47 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.378 13.8-157.0 -69.7 148.0 5.9 34.2 -15.8 31 586 A F S S+ 0 0 98 8,-2.3 2,-0.3 1,-0.2 9,-0.1 0.611 75.3 9.6 -99.7 -16.8 7.3 33.7 -12.3 32 587 A A E -E 39 0A 43 7,-1.1 7,-2.5 2,-0.0 2,-0.3 -0.966 62.6-178.7-153.9 166.6 10.4 31.8 -13.4 33 588 A E E -E 38 0A 123 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.988 7.5-167.2-162.4 164.7 12.4 30.8 -16.5 34 589 A G - 0 0 42 3,-2.2 -2,-0.0 -2,-0.3 5,-0.0 -0.656 54.7 -70.7-137.2-163.5 15.4 29.0 -17.8 35 590 A A S S+ 0 0 104 -2,-0.2 3,-0.1 1,-0.2 57,-0.0 0.750 129.1 29.7 -68.5 -24.6 17.3 28.8 -21.1 36 591 A L S S+ 0 0 76 1,-0.2 56,-2.7 55,-0.1 2,-0.3 0.825 119.7 14.8-102.5 -42.6 14.4 26.9 -22.8 37 592 A R E - F 0 91A 48 54,-0.2 -3,-2.2 55,-0.0 2,-0.4 -0.836 53.5-127.2-140.3 168.1 11.1 27.9 -21.3 38 593 A E E -EF 33 90A 51 52,-2.1 52,-2.1 -2,-0.3 2,-0.4 -0.938 24.6-144.4-118.5 143.6 9.0 30.2 -19.1 39 594 A A E -EF 32 89A 11 -7,-2.5 -8,-2.3 -2,-0.4 -7,-1.1 -0.906 11.7-164.5-117.9 136.4 6.8 29.1 -16.3 40 595 A Y E - F 0 88A 36 48,-2.9 48,-2.6 -2,-0.4 2,-0.1 -0.945 22.6-121.3-124.0 133.3 3.4 30.5 -15.2 41 596 A H E + F 0 87A 59 -12,-0.4 -14,-1.9 -2,-0.4 2,-0.3 -0.470 42.5 175.6 -63.7 142.4 1.3 30.1 -12.1 42 597 A T E -DF 26 86A 8 44,-1.9 44,-2.4 -16,-0.2 2,-0.4 -0.977 23.8-143.8-150.0 154.0 -2.2 28.7 -13.0 43 598 A V E -DF 25 85A 49 -18,-2.2 -18,-2.0 -2,-0.3 2,-0.3 -0.987 21.6-122.6-127.4 140.9 -5.3 27.5 -11.3 44 599 A S E -D 24 0A 0 40,-2.8 39,-2.6 -2,-0.4 -20,-0.2 -0.592 19.5-176.8 -80.6 134.7 -7.6 24.7 -12.3 45 600 A L E - 0 0 55 -22,-2.7 -21,-0.2 1,-0.3 37,-0.2 0.123 64.5 -59.9-113.1 17.2 -11.3 25.3 -13.0 46 601 A G E - 0 0 21 34,-0.4 -23,-1.9 -23,-0.3 2,-0.4 -0.137 41.6-112.8 122.2 150.6 -12.1 21.6 -13.6 47 602 A V E +D 22 0A 35 -25,-0.2 -25,-0.2 30,-0.1 2,-0.2 -0.922 37.8 155.7-116.7 140.7 -11.4 18.5 -15.7 48 603 A G E -D 21 0A 25 -27,-2.9 -27,-2.0 -2,-0.4 2,-0.1 -0.693 39.6 -69.9-142.8-166.6 -13.8 16.7 -18.1 49 604 A T E -D 20 0A 63 -29,-0.2 3,-0.3 -2,-0.2 -29,-0.2 -0.434 30.7-127.8 -91.3 169.9 -14.2 14.4 -21.1 50 605 A D S > S+ 0 0 40 -31,-0.5 3,-1.8 1,-0.2 -30,-0.1 0.214 70.3 116.6-101.5 14.5 -13.3 15.2 -24.8 51 606 A E T 3 S+ 0 0 150 1,-0.3 -1,-0.2 3,-0.0 -31,-0.0 0.842 71.8 55.0 -57.3 -38.2 -16.6 14.2 -26.4 52 607 A N T 3 S+ 0 0 136 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.646 95.9 78.2 -67.2 -12.6 -17.5 17.7 -27.7 53 608 A Y S < S- 0 0 72 -3,-1.8 -1,-0.2 2,-0.0 -3,-0.0 -0.753 78.1-138.5-113.0 93.1 -14.2 18.0 -29.6 54 609 A P - 0 0 115 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.088 6.8-142.8 -46.0 132.2 -13.9 16.1 -32.9 55 610 A L - 0 0 60 5,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.826 33.7-166.7 -70.3 -31.0 -10.5 14.4 -33.3 56 611 A G 0 0 64 4,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.906 360.0 360.0 49.2 79.1 -10.8 15.3 -37.0 57 612 A T 0 0 128 2,-0.1 4,-0.0 3,-0.1 -1,-0.0 0.544 360.0 360.0 -91.9 360.0 -8.2 13.5 -39.1 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 615 A K 0 0 235 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 170.3 -4.0 14.7 -40.0 60 616 A L - 0 0 43 1,-0.0 -3,-0.1 2,-0.0 -4,-0.1 0.157 360.0-171.1 -54.3 126.2 -3.6 12.8 -36.8 61 617 A F S S+ 0 0 65 1,-0.3 -1,-0.0 2,-0.1 3,-0.0 -0.849 86.3 34.0-150.3 125.9 -0.8 13.0 -34.2 62 618 A P S S- 0 0 4 0, 0.0 -1,-0.3 0, 0.0 5,-0.0 0.512 114.5-117.4 -60.5 154.7 -0.6 11.1 -32.1 63 619 A P > - 0 0 39 0, 0.0 3,-3.0 0, 0.0 4,-0.2 -0.307 20.1-106.4 -71.9 152.9 -2.0 8.5 -34.6 64 620 A I G > S+ 0 0 111 1,-0.3 3,-1.3 2,-0.2 -3,-0.0 0.763 117.7 61.4 -44.9 -35.5 -5.4 6.9 -33.9 65 621 A E G 3 S+ 0 0 140 1,-0.2 -1,-0.3 -49,-0.0 0, 0.0 0.616 101.4 54.0 -74.3 -8.1 -3.8 3.6 -33.0 66 622 A M G < S+ 0 0 32 -3,-3.0 -49,-2.1 -50,-0.1 2,-0.4 0.283 90.2 92.1-105.8 9.5 -2.0 5.2 -30.1 67 623 A I B < S-c 17 0A 24 -3,-1.3 -49,-0.2 -51,-0.2 -51,-0.0 -0.899 73.6-126.1-112.4 132.0 -5.0 6.7 -28.4 68 624 A S - 0 0 10 -51,-3.1 -49,-0.4 -2,-0.4 -2,-0.1 -0.537 7.7-148.1 -73.2 131.8 -7.1 4.9 -25.7 69 625 A P S S+ 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.715 84.4 51.7 -74.0 -14.9 -10.8 4.6 -26.4 70 626 A I + 0 0 67 376,-0.1 378,-0.1 1,-0.1 -2,-0.1 -0.945 52.7 169.9-124.6 143.2 -11.6 4.9 -22.6 71 627 A S + 0 0 24 -2,-0.4 -1,-0.1 -53,-0.1 -53,-0.1 0.220 39.3 116.7-138.1 15.8 -10.4 7.5 -20.2 72 628 A K S S+ 0 0 89 374,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.711 73.5 61.8 -68.5 -19.8 -12.3 7.1 -16.9 73 629 A N S S+ 0 0 43 370,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.941 71.0 125.1-108.0 123.3 -9.1 6.3 -15.0 74 630 A N - 0 0 17 -2,-0.5 4,-0.3 1,-0.1 3,-0.2 -0.969 61.9-121.7-167.5 157.4 -6.4 9.0 -14.9 75 631 A E S >> S+ 0 0 75 -2,-0.3 4,-2.7 1,-0.2 3,-1.0 0.766 101.8 73.6 -77.2 -27.5 -4.3 11.1 -12.5 76 632 A A H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 84.4 66.3 -56.2 -38.3 -5.6 14.4 -13.8 77 633 A M H 34 S+ 0 0 75 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.860 117.7 22.1 -53.5 -40.5 -9.0 13.9 -12.1 78 634 A T H X4 S+ 0 0 92 -3,-1.0 3,-0.8 -4,-0.3 -2,-0.2 0.841 124.1 50.2 -99.0 -39.0 -7.4 14.2 -8.6 79 635 A Q H 3< S+ 0 0 64 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.687 122.4 32.5 -74.8 -16.3 -4.2 16.0 -9.2 80 636 A L T 3< S+ 0 0 0 -4,-1.9 -34,-0.4 -5,-0.3 -1,-0.2 -0.018 84.6 147.9-129.2 31.4 -5.8 18.9 -11.2 81 637 A K X - 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0 0 34 1,-0.1 2,-0.3 4,-0.0 3,-0.1 0.052 360.0-118.7 47.2-165.6 9.0 24.1 -32.1 97 656 A S > - 0 0 44 1,-0.2 4,-1.0 50,-0.0 3,-0.3 -0.978 13.4-114.5-166.1 150.9 6.7 21.4 -33.3 98 657 A R H >> S+ 0 0 80 -2,-0.3 4,-1.1 1,-0.2 3,-0.7 0.958 118.6 52.7 -52.3 -51.3 3.5 19.4 -32.5 99 658 A E H 3> S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 98.7 66.9 -52.9 -38.4 5.6 16.3 -32.0 100 659 A L H 3> S+ 0 0 23 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.839 98.4 47.8 -55.6 -44.9 8.0 18.1 -29.5 101 660 A Y H < S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.931 109.4 51.9 -57.4 -47.9 15.4 2.9 -8.2 119 678 A N H >< S+ 0 0 22 -4,-2.1 3,-2.5 1,-0.3 -1,-0.2 0.822 95.0 68.5 -60.2 -35.4 13.2 2.9 -5.1 120 679 A Q H 3< S+ 0 0 89 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.726 91.3 64.8 -60.5 -21.7 12.6 -0.9 -5.3 121 680 A K T << S- 0 0 96 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.528 109.3-123.9 -76.7 -6.5 16.3 -1.2 -4.4 122 681 A K < - 0 0 147 -3,-2.5 -3,-0.1 -4,-0.1 -2,-0.1 0.976 39.4-178.8 62.9 58.3 15.7 0.3 -1.0 123 682 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.412 44.5-100.4 -80.8 167.1 18.2 3.2 -1.1 124 683 A P S S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.813 112.0 32.0 -58.3 -31.5 18.6 5.5 2.0 125 684 A K S S- 0 0 109 52,-0.0 2,-0.2 78,-0.0 -3,-0.0 -0.992 78.9-144.5-131.8 127.5 16.4 8.1 0.3 126 685 A K - 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