==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-01 1IJP . COMPND 2 MOLECULE: ATP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.Y.DMITRIEV,R.H.FILLINGAME . 79 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 87.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 5.1 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 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 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 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 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.1 15.6 -28.5 0.6 2 2 A E > + 0 0 155 3,-0.1 4,-1.4 2,-0.0 0, 0.0 0.840 360.0 14.4 -97.9 -78.9 14.0 -29.3 -2.8 3 3 A N H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 127.5 54.8 -64.7 -42.8 10.1 -30.0 -2.3 4 4 A L H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 107.8 49.3 -60.4 -45.7 10.0 -28.4 1.3 5 5 A N H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 112.0 49.7 -57.3 -39.5 11.6 -25.1 0.1 6 6 A M H X S+ 0 0 93 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.876 110.2 49.9 -68.6 -38.4 8.9 -25.0 -2.8 7 7 A D H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 113.4 47.4 -58.2 -46.0 6.0 -25.7 -0.3 8 8 A L H X S+ 0 0 124 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.897 113.2 46.0 -62.9 -45.2 7.4 -22.8 2.0 9 9 A L H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.966 115.5 47.8 -64.6 -54.4 7.8 -20.2 -1.0 10 10 A Y H X S+ 0 0 45 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.896 112.1 48.1 -36.5 -62.2 4.2 -21.1 -2.3 11 11 A M H X S+ 0 0 112 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.935 114.0 45.6 -64.0 -48.4 2.5 -20.9 1.1 12 12 A A H X S+ 0 0 54 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.861 114.0 50.6 -54.0 -42.0 4.1 -17.4 2.0 13 13 A A H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.927 113.1 43.4 -66.9 -48.0 3.3 -16.1 -1.6 14 14 A A H X S+ 0 0 22 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.880 114.4 51.2 -60.6 -39.1 -0.5 -17.2 -1.5 15 15 A V H X S+ 0 0 103 -4,-2.5 4,-1.7 -5,-0.3 3,-0.3 0.959 112.4 47.1 -56.6 -50.7 -0.6 -15.7 2.2 16 16 A M H < S+ 0 0 78 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.878 106.8 58.3 -53.1 -43.7 0.9 -12.5 0.6 17 17 A M H < S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.854 112.3 39.5 -56.9 -39.0 -1.7 -12.6 -2.3 18 18 A G H >< S+ 0 0 40 -4,-1.6 3,-1.3 -3,-0.3 4,-0.4 0.735 96.0 82.4 -80.5 -25.7 -4.7 -12.5 0.3 19 19 A L G >X S+ 0 0 83 -4,-1.7 4,-2.3 1,-0.2 3,-1.6 0.852 81.0 63.7 -47.4 -47.8 -3.0 -9.9 2.7 20 20 A P G 34>S+ 0 0 11 0, 0.0 5,-1.8 0, 0.0 4,-0.3 0.748 88.0 71.0 -47.1 -30.9 -4.1 -6.8 0.4 21 21 A A G <45S+ 0 0 79 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.785 115.1 25.3 -58.7 -28.8 -7.8 -7.6 1.2 22 22 A I T <>5S+ 0 0 129 -3,-1.6 4,-1.7 -4,-0.4 5,-0.2 0.844 133.5 38.0 -85.6 -59.4 -7.1 -6.4 4.8 23 23 A G H X5S+ 0 0 34 -4,-2.3 4,-1.5 2,-0.2 -2,-0.1 0.954 123.7 29.9 -65.5 -65.1 -4.1 -4.0 4.0 24 24 A A H >5S+ 0 0 2 -4,-0.3 4,-2.3 34,-0.3 35,-0.3 0.728 117.6 57.7 -70.5 -24.0 -4.8 -2.1 0.7 25 25 A A H >S+ 0 0 82 -4,-1.7 5,-2.0 -6,-0.2 4,-0.8 0.839 111.3 60.1 -58.8 -35.0 -8.2 -0.3 4.6 27 27 A G H X5S+ 0 0 3 -4,-1.5 4,-0.6 3,-0.2 5,-0.4 0.989 115.5 28.0 -53.9 -66.2 -5.8 1.9 2.4 28 28 A I H X5S+ 0 0 74 -4,-2.3 4,-1.7 3,-0.2 5,-0.5 0.987 130.1 38.4 -58.4 -66.6 -8.4 3.1 -0.2 29 29 A G H X5S+ 0 0 47 -4,-1.7 4,-1.2 3,-0.2 -3,-0.2 0.923 131.6 21.5 -55.0 -59.7 -11.6 2.9 2.0 30 30 A I H X5S+ 0 0 97 -4,-0.8 4,-3.0 -5,-0.4 -3,-0.2 0.902 130.1 43.1 -81.3 -45.7 -10.4 4.1 5.5 31 31 A L H < S+ 0 0 49 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.922 106.1 48.0 -52.1 -51.7 -7.6 11.9 3.7 36 36 A L H X S+ 0 0 119 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.858 107.7 54.2 -68.1 -34.7 -10.9 13.7 2.7 37 37 A E H X S+ 0 0 132 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.892 110.2 49.6 -52.5 -43.9 -11.6 14.7 6.4 38 38 A G H X S+ 0 0 6 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.910 108.6 51.2 -60.2 -45.7 -8.0 16.1 6.3 39 39 A A H < S+ 0 0 32 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.853 106.4 54.5 -60.8 -38.6 -8.7 18.1 3.0 40 40 A A H < S+ 0 0 89 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.884 116.6 38.4 -59.3 -41.6 -12.0 19.6 4.6 41 41 A R H < S- 0 0 184 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.972 142.0 -14.8 -66.5 -62.3 -9.8 20.9 7.6 42 42 A Q >< - 0 0 102 -4,-2.8 3,-0.8 -5,-0.1 -1,-0.2 -0.918 54.4-147.9-149.4 116.6 -6.6 22.0 5.6 43 43 A P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.647 102.0 44.0 -69.2 -12.1 -5.7 21.0 1.9 44 44 A D T 3 S+ 0 0 151 -6,-0.1 2,-0.2 -5,-0.1 -5,-0.1 -0.493 88.4 147.7-119.4 62.6 -1.9 21.0 2.6 45 45 A L <> - 0 0 19 -3,-0.8 4,-2.1 1,-0.1 5,-0.1 -0.619 55.6-128.1 -96.1 153.5 -2.0 19.1 6.0 46 46 A I H > S+ 0 0 120 -2,-0.2 4,-1.8 2,-0.2 3,-0.2 0.988 114.1 44.7 -66.5 -58.1 0.6 16.7 7.6 47 47 A P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.731 109.6 59.6 -56.8 -20.2 -2.0 13.8 8.3 48 48 A L H > S+ 0 0 14 2,-0.2 4,-2.8 -10,-0.2 5,-0.2 0.947 106.3 45.1 -62.9 -51.7 -3.4 14.6 4.7 49 49 A L H X S+ 0 0 118 -4,-2.1 4,-1.5 -3,-0.2 -3,-0.1 0.814 114.0 51.0 -62.0 -30.6 0.2 13.6 3.3 50 50 A R H X S+ 0 0 170 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.975 114.5 41.7 -61.9 -59.2 0.2 10.5 5.6 51 51 A T H X S+ 0 0 7 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.900 115.4 49.5 -58.3 -46.4 -3.3 9.3 4.4 52 52 A Q H X S+ 0 0 86 -4,-2.8 4,-1.7 2,-0.2 3,-0.5 0.901 108.1 54.5 -59.6 -43.7 -2.6 10.1 0.6 53 53 A F H X S+ 0 0 112 -4,-1.5 4,-2.8 -5,-0.2 5,-0.2 0.912 108.2 50.0 -48.8 -46.5 0.8 8.2 0.9 54 54 A F H X S+ 0 0 92 -4,-1.9 4,-1.1 2,-0.2 5,-0.3 0.643 101.9 61.7 -73.8 -14.5 -1.4 5.1 2.2 55 55 A I H X S+ 0 0 36 -4,-1.0 4,-1.6 -3,-0.5 -2,-0.2 0.957 116.9 31.1 -63.1 -55.5 -3.8 5.5 -0.8 56 56 A V H X S+ 0 0 83 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.976 123.2 46.6 -68.4 -55.5 -0.8 4.8 -3.2 57 57 A M H X S+ 0 0 97 -4,-2.8 4,-1.3 2,-0.2 -3,-0.2 0.836 115.6 48.5 -57.9 -36.4 1.3 2.4 -0.8 58 58 A G H >X S+ 0 0 6 -4,-1.1 4,-1.5 -5,-0.2 3,-1.5 0.998 112.7 44.0 -60.0 -74.3 -2.0 0.4 0.1 59 59 A L H 3X S+ 0 0 91 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.639 111.9 55.9 -53.9 -13.6 -3.3 -0.1 -3.6 60 60 A V H 3X S+ 0 0 82 -4,-1.6 4,-1.8 2,-0.2 5,-0.4 0.784 100.5 56.3 -87.4 -28.9 0.4 -1.1 -4.6 61 61 A D H S+ 0 0 104 -4,-2.4 4,-1.4 1,-0.2 5,-0.6 0.860 113.9 42.1 -40.8 -48.0 0.0 -20.5 -6.1 74 74 A V H X>S+ 0 0 64 -4,-2.0 5,-2.6 3,-0.2 4,-0.6 0.881 112.3 54.3 -76.3 -40.8 -1.1 -21.6 -9.6 75 75 A M H <5S+ 0 0 132 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.1 0.918 118.2 32.8 -56.0 -49.9 2.5 -22.7 -10.8 76 76 A F H <5S+ 0 0 55 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.960 130.3 28.9 -75.9 -55.9 3.1 -25.1 -7.7 77 77 A A H <5S+ 0 0 60 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.938 133.8 26.8 -74.8 -51.2 -0.5 -26.5 -6.9 78 78 A V T << 0 0 115 -4,-0.6 -3,-0.2 -5,-0.6 -4,-0.1 0.971 360.0 360.0 -76.3 -59.9 -2.2 -26.4 -10.4 79 79 A A < 0 0 117 -5,-2.6 -1,-0.1 0, 0.0 -2,-0.1 -0.240 360.0 360.0 65.7 360.0 0.9 -26.7 -12.8