==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-APR-08 3CZC . COMPND 2 MOLECULE: RMPB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR J.LEI,X.D.SU . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 11 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 126 0, 0.0 2,-0.6 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 -93.9 27.3 25.4 11.7 2 2 A V E -a 34 0A 28 31,-2.5 33,-2.6 49,-0.1 2,-0.5 -0.756 360.0-159.3 -86.5 120.8 23.4 25.8 11.8 3 3 A K E -a 35 0A 79 -2,-0.6 50,-2.0 31,-0.2 49,-1.6 -0.868 9.8-172.3-100.5 124.0 22.0 27.0 8.4 4 4 A V E -ab 36 53A 1 31,-3.0 33,-2.6 -2,-0.5 2,-0.5 -0.956 8.3-161.7-121.7 133.2 18.6 28.5 8.5 5 5 A L E -ab 37 54A 1 48,-2.8 50,-3.1 -2,-0.4 2,-0.6 -0.958 5.7-158.3-112.6 126.1 16.4 29.6 5.6 6 6 A T E -ab 38 55A 1 31,-3.0 33,-2.0 -2,-0.5 2,-0.6 -0.927 14.1-167.6 -97.2 115.3 13.5 32.0 6.0 7 7 A A E +ab 39 56A 0 48,-3.1 50,-0.5 -2,-0.6 2,-0.3 -0.938 30.0 127.2-111.0 113.1 11.2 31.4 2.9 8 8 A C - 0 0 7 31,-2.4 -2,-0.1 -2,-0.6 7,-0.0 -0.979 61.6-124.3-162.1 161.6 8.6 34.1 2.6 9 9 A G + 0 0 74 -2,-0.3 31,-0.1 31,-0.2 6,-0.0 0.307 68.0 124.1 -99.1 6.7 7.1 36.6 0.0 10 10 A N - 0 0 66 1,-0.1 -2,-0.1 2,-0.1 5,-0.0 -0.175 67.2 -93.4 -60.7 159.6 7.7 39.6 2.2 11 11 A G > - 0 0 50 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.055 45.7 -89.7 -67.1 174.9 9.7 42.6 1.0 12 12 A X H > S+ 0 0 158 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.868 122.8 44.5 -59.8 -46.7 13.4 43.1 1.7 13 13 A G H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.965 115.7 47.3 -66.6 -53.4 13.3 45.0 5.0 14 14 A S H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 109.5 54.4 -50.7 -47.3 10.6 42.6 6.5 15 15 A S H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.866 109.0 48.5 -55.6 -39.6 12.6 39.5 5.3 16 16 A X H X S+ 0 0 101 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.868 110.1 52.1 -69.7 -34.6 15.7 40.8 7.1 17 17 A V H X S+ 0 0 49 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.915 109.4 48.5 -70.1 -46.0 13.7 41.4 10.3 18 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.945 111.7 49.9 -56.9 -52.3 12.2 37.8 10.2 19 19 A K H X S+ 0 0 54 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.916 112.4 48.3 -50.5 -48.3 15.8 36.3 9.7 20 20 A X H X S+ 0 0 111 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 111.2 48.7 -59.9 -44.7 17.0 38.4 12.6 21 21 A K H X S+ 0 0 42 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.879 112.8 48.5 -64.3 -41.4 14.1 37.4 14.9 22 22 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.948 111.8 49.9 -59.6 -48.0 14.7 33.7 14.1 23 23 A E H X S+ 0 0 55 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.894 108.9 51.7 -59.2 -43.8 18.4 34.1 14.7 24 24 A N H X S+ 0 0 91 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.908 109.8 49.4 -60.5 -46.2 17.7 35.7 18.2 25 25 A A H X S+ 0 0 2 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.870 109.6 52.2 -61.8 -37.4 15.4 32.9 19.2 26 26 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 -1,-0.2 0.884 108.7 50.4 -66.1 -39.9 18.1 30.3 18.1 27 27 A R H ><5S+ 0 0 113 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.872 104.4 57.3 -67.7 -35.5 20.6 32.1 20.3 28 28 A Q H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.0 54.5 -59.4 -36.3 18.2 32.1 23.3 29 29 A L T 3<5S- 0 0 52 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.477 127.5-102.3 -74.9 -5.7 18.2 28.3 22.9 30 30 A G T < 5S+ 0 0 62 -3,-1.4 2,-0.7 1,-0.3 -3,-0.2 0.554 74.3 143.0 97.7 7.2 22.1 28.2 23.1 31 31 A V < + 0 0 31 -5,-2.2 -1,-0.3 1,-0.2 -2,-0.1 -0.734 21.6 175.7 -82.9 112.7 22.8 27.8 19.3 32 32 A S + 0 0 86 -2,-0.7 2,-0.7 1,-0.2 -1,-0.2 0.833 56.6 56.3 -94.7 -33.8 25.9 30.0 18.8 33 33 A D + 0 0 91 2,-0.0 -31,-2.5 -30,-0.0 2,-0.4 -0.868 67.4 165.2-114.6 103.0 27.0 29.6 15.2 34 34 A I E -a 2 0A 19 -2,-0.7 2,-0.5 -33,-0.2 -31,-0.2 -0.960 27.0-165.8-129.8 135.2 24.3 30.5 12.7 35 35 A E E -a 3 0A 98 -33,-2.6 -31,-3.0 -2,-0.4 2,-0.4 -0.995 22.4-167.9-116.4 116.7 24.2 31.2 8.9 36 36 A S E +a 4 0A 26 -2,-0.5 2,-0.3 -33,-0.2 -31,-0.2 -0.937 12.0 167.9-116.2 134.6 20.8 32.8 8.0 37 37 A A E -a 5 0A 25 -33,-2.6 -31,-3.0 -2,-0.4 2,-0.3 -0.899 13.9-157.3-135.5 158.3 19.4 33.4 4.5 38 38 A S E +a 6 0A 45 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.979 20.7 146.2-134.3 155.1 16.0 34.3 3.1 39 39 A C E -a 7 0A 23 -33,-2.0 -31,-2.4 -2,-0.3 2,-0.1 -0.921 50.9 -64.5-164.6-174.4 14.3 33.9 -0.3 40 40 A S > - 0 0 36 -2,-0.3 4,-2.4 -33,-0.2 -31,-0.2 -0.361 44.3-111.5 -78.6 164.3 10.8 33.3 -1.6 41 41 A V H > S+ 0 0 15 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.927 121.2 49.1 -57.0 -45.6 8.7 30.2 -0.9 42 42 A G H > S+ 0 0 49 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.901 112.0 47.8 -64.9 -40.0 9.0 29.2 -4.6 43 43 A E H >> S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.887 104.2 62.0 -63.6 -35.7 12.8 29.8 -4.5 44 44 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.794 87.0 73.2 -65.4 -26.4 13.1 27.7 -1.3 45 45 A K H 3< S+ 0 0 57 -4,-1.1 4,-0.3 -3,-0.4 -1,-0.2 0.920 106.8 35.1 -49.8 -44.7 11.7 24.6 -3.1 46 46 A G H << S+ 0 0 60 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.693 127.5 37.7 -84.2 -21.2 15.1 24.3 -4.9 47 47 A L H >< S+ 0 0 72 -4,-1.1 3,-2.5 1,-0.1 4,-0.2 0.696 87.6 88.5-105.9 -22.8 17.3 25.6 -2.0 48 48 A A G >< S+ 0 0 0 -4,-3.4 3,-1.6 1,-0.3 22,-0.2 0.722 77.6 68.5 -54.1 -28.7 15.7 24.1 1.2 49 49 A S G 3 S+ 0 0 80 18,-0.3 -1,-0.3 -4,-0.3 20,-0.2 0.673 92.9 61.1 -64.7 -15.7 17.7 20.9 1.0 50 50 A N G < S+ 0 0 95 -3,-2.5 2,-0.3 18,-0.0 -1,-0.3 0.533 95.9 79.5 -84.4 -8.0 20.8 22.9 1.8 51 51 A Y < - 0 0 32 -3,-1.6 19,-0.3 -4,-0.2 -47,-0.2 -0.787 63.6-150.5-115.7 146.1 19.5 24.1 5.2 52 52 A D S S+ 0 0 76 -49,-1.6 19,-2.4 -2,-0.3 2,-0.4 0.805 93.2 25.7 -73.8 -38.0 19.2 22.6 8.7 53 53 A I E -bc 4 71A 5 -50,-2.0 -48,-2.8 17,-0.2 2,-0.5 -0.999 65.5-167.9-132.8 133.8 16.1 24.7 9.5 54 54 A V E -bc 5 72A 0 17,-2.8 19,-3.8 -2,-0.4 2,-0.4 -0.992 8.5-165.2-126.4 124.7 13.5 26.2 7.1 55 55 A V E +bc 6 73A 2 -50,-3.1 -48,-3.1 -2,-0.5 2,-0.3 -0.920 21.5 144.4-112.4 133.4 11.0 28.7 8.4 56 56 A A E -bc 7 74A 0 17,-2.4 19,-2.0 -2,-0.4 -48,-0.1 -0.968 54.2 -64.6-157.6 167.6 7.9 29.8 6.5 57 57 A S E >> - c 0 75A 24 -50,-0.5 3,-1.3 -2,-0.3 4,-0.9 -0.365 42.0-130.1 -55.3 132.9 4.2 30.8 6.8 58 58 A N T 34 S+ 0 0 53 17,-2.2 4,-0.4 1,-0.2 3,-0.2 0.771 109.1 60.5 -51.5 -31.6 2.2 27.9 8.3 59 59 A H T 34 S+ 0 0 124 16,-0.4 -1,-0.2 1,-0.2 17,-0.1 0.715 115.0 32.2 -72.1 -20.8 -0.3 28.6 5.4 60 60 A L T X4 S+ 0 0 70 -3,-1.3 3,-2.2 2,-0.1 4,-0.3 0.422 85.1 97.8-115.7 1.4 2.4 27.8 2.9 61 61 A I G >X S+ 0 0 37 -4,-0.9 3,-2.6 1,-0.3 4,-1.0 0.833 74.7 71.2 -69.7 -25.5 4.7 25.2 4.5 62 62 A H G 34 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.768 89.2 63.3 -53.9 -25.8 2.9 22.4 2.6 63 63 A E G <4 S+ 0 0 73 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.682 109.0 40.7 -69.2 -18.0 4.6 23.9 -0.5 64 64 A L T X4 S+ 0 0 0 -3,-2.6 3,-2.5 -4,-0.3 4,-0.5 0.471 81.2 121.0-112.5 -8.8 8.0 22.9 1.1 65 65 A D T 3< S+ 0 0 129 -4,-1.0 -3,-0.0 1,-0.3 -20,-0.0 -0.404 86.0 16.6 -59.1 129.6 7.1 19.4 2.5 66 66 A G T 3 S+ 0 0 70 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.370 102.4 95.9 82.7 -4.3 9.4 16.9 0.9 67 67 A R S < S+ 0 0 114 -3,-2.5 2,-0.3 1,-0.1 -18,-0.3 0.581 88.8 29.4 -93.7 -11.1 11.9 19.7 -0.3 68 68 A T - 0 0 20 -4,-0.5 -2,-0.4 2,-0.1 -19,-0.2 -0.992 55.0-148.3-145.4 150.5 14.2 19.3 2.7 69 69 A N S S+ 0 0 173 -2,-0.3 -20,-0.1 -18,-0.2 3,-0.1 0.418 80.3 91.5 -91.1 -1.4 15.4 16.7 5.3 70 70 A G S S- 0 0 28 -19,-0.3 2,-0.6 -22,-0.2 -17,-0.2 -0.066 95.6 -67.2 -80.0-176.1 15.7 19.5 7.8 71 71 A K E -c 53 0A 100 -19,-2.4 -17,-2.8 2,-0.0 2,-0.7 -0.669 44.8-154.8 -75.0 118.2 13.3 21.0 10.4 72 72 A L E -c 54 0A 55 -2,-0.6 2,-0.5 -19,-0.2 -17,-0.2 -0.846 13.0-166.3 -96.6 116.5 10.4 22.7 8.6 73 73 A I E -c 55 0A 7 -19,-3.8 -17,-2.4 -2,-0.7 2,-0.4 -0.917 2.6-159.8-113.1 120.6 9.0 25.4 11.0 74 74 A G E -c 56 0A 8 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.824 4.9-167.6-100.8 135.7 5.6 27.0 10.3 75 75 A L E -c 57 0A 2 -19,-2.0 -17,-2.2 -2,-0.4 -16,-0.4 -0.971 22.6-158.1-122.3 132.2 4.4 30.3 11.7 76 76 A D S S+ 0 0 102 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.889 100.8 25.1 -66.8 -41.7 1.0 31.9 11.7 77 77 A N S > S- 0 0 86 3,-0.1 3,-1.3 -3,-0.1 -1,-0.3 -0.965 71.5-161.9-125.3 114.1 2.7 35.3 12.2 78 78 A L T 3 S+ 0 0 20 -2,-0.4 -57,-0.1 -3,-0.3 -1,-0.1 0.628 91.1 50.4 -68.1 -16.1 6.3 35.5 11.0 79 79 A X T 3 S+ 0 0 66 -58,-0.0 2,-1.0 1,-0.0 -1,-0.2 0.427 79.4 109.0-100.7 -1.3 7.1 38.6 13.1 80 80 A D <> - 0 0 64 -3,-1.3 4,-2.8 1,-0.2 3,-0.4 -0.686 50.6-165.6 -85.8 99.9 5.8 37.2 16.4 81 81 A D H > S+ 0 0 75 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.784 87.8 53.6 -53.2 -33.5 8.9 36.7 18.6 82 82 A N H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 111.2 42.0 -74.7 -41.8 6.9 34.6 21.0 83 83 A E H > S+ 0 0 24 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.873 113.7 55.5 -65.7 -40.3 5.5 32.2 18.4 84 84 A I H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.978 111.8 42.5 -54.6 -55.4 9.0 32.1 16.8 85 85 A K H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.886 115.7 49.8 -60.0 -43.5 10.5 31.0 20.2 86 86 A T H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.935 112.4 45.5 -62.9 -49.1 7.7 28.5 20.9 87 87 A K H X S+ 0 0 51 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.866 114.1 48.7 -66.4 -39.3 7.9 26.8 17.4 88 88 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 5,-0.4 0.942 111.7 49.4 -64.0 -47.1 11.7 26.6 17.5 89 89 A E H X S+ 0 0 70 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.931 111.0 50.5 -54.2 -44.0 11.6 25.1 21.0 90 90 A E H < S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.7 42.2 -65.5 -37.1 8.9 22.6 19.9 91 91 A A H < S+ 0 0 27 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.821 128.5 24.4 -74.6 -36.9 11.0 21.6 16.8 92 92 A L H < 0 0 65 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.730 360.0 360.0-107.0 -29.3 14.5 21.4 18.4 93 93 A K < 0 0 213 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.898 360.0 360.0 -80.6 360.0 14.1 20.8 22.2