==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ATP SYNTHESIS 29-JAN-97 1ABV . COMPND 2 MOLECULE: DELTA SUBUNIT OF THE F1F0-ATP SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.WILKENS,S.D.DUNN,J.CHANDLER,F.W.DAHLQUIST,R.A.CAPALDI . 105 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 83.8 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 . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.8 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 2 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 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 S 0 0 148 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.6 -4.6 15.7 -3.7 2 2 A E - 0 0 142 87,-0.0 3,-0.1 1,-0.0 85,-0.1 -0.529 360.0-156.9-100.2 169.5 -1.7 13.4 -2.7 3 3 A F >> + 0 0 98 -2,-0.2 4,-1.8 1,-0.1 3,-1.7 -0.134 33.7 148.1-139.5 41.2 -0.5 12.3 0.8 4 4 A I H 3> S+ 0 0 67 1,-0.3 4,-3.4 2,-0.2 -1,-0.1 0.858 70.9 66.3 -47.2 -38.1 3.2 11.3 0.3 5 5 A T H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.908 106.9 41.0 -53.4 -39.9 3.9 12.5 3.9 6 6 A V H <> S+ 0 0 33 -3,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.885 116.7 48.5 -76.1 -37.9 1.7 9.7 5.2 7 7 A A H X>S+ 0 0 0 -4,-1.8 4,-3.7 1,-0.2 5,-0.6 0.835 94.1 77.7 -71.2 -31.6 3.1 7.2 2.6 8 8 A R H X5S+ 0 0 153 -4,-3.4 4,-2.1 -5,-0.2 -1,-0.2 0.915 107.3 28.8 -42.2 -58.9 6.8 8.1 3.5 9 9 A P H >5S+ 0 0 69 0, 0.0 4,-3.1 0, 0.0 5,-0.5 0.885 119.3 56.7 -73.1 -40.6 6.7 6.1 6.7 10 10 A Y H X5S+ 0 0 40 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.957 117.2 34.8 -57.2 -49.6 4.2 3.5 5.4 11 11 A A H X5S+ 0 0 0 -4,-3.7 4,-2.8 2,-0.2 -1,-0.2 0.909 119.5 52.7 -72.1 -40.5 6.4 2.6 2.4 12 12 A K H XX S+ 0 0 59 -4,-2.7 4,-2.4 1,-0.2 3,-0.9 0.974 115.0 34.2 -48.7 -69.3 12.7 -2.1 5.7 17 17 A F H 3X S+ 0 0 20 -4,-1.4 4,-3.9 1,-0.3 6,-0.4 0.879 112.4 63.6 -56.8 -36.6 11.2 -5.5 6.5 18 18 A A H 3<>S+ 0 0 0 -4,-2.1 6,-2.1 -5,-0.3 5,-1.9 0.904 109.0 41.3 -56.4 -37.5 10.6 -6.1 2.8 19 19 A V H X<5S+ 0 0 64 -4,-2.4 3,-1.8 -3,-0.9 -2,-0.2 0.959 116.5 47.1 -74.8 -51.1 14.5 -6.0 2.4 20 20 A E H 3<5S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.932 116.1 45.2 -56.0 -45.9 15.2 -8.1 5.6 21 21 A H T 3<5S- 0 0 118 -4,-3.9 -1,-0.3 -5,-0.2 -2,-0.2 0.415 109.2-127.2 -79.1 4.8 12.5 -10.7 4.5 22 22 A Q T < 5S+ 0 0 179 -3,-1.8 4,-0.3 -5,-0.2 3,-0.2 0.790 77.7 121.8 55.3 25.0 14.0 -10.6 1.0 23 23 A S >< + 0 0 14 -5,-1.9 4,-4.7 -6,-0.4 5,-0.5 0.677 34.7 100.1 -90.9 -17.7 10.4 -9.9 -0.2 24 24 A V H > S+ 0 0 16 -6,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.849 84.2 48.9 -34.2 -52.7 11.3 -6.6 -2.0 25 25 A E H > S+ 0 0 136 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.962 123.0 32.0 -58.1 -50.8 11.4 -8.3 -5.4 26 26 A R H >> S+ 0 0 187 -3,-0.4 4,-1.3 -4,-0.3 3,-1.0 0.905 115.2 59.2 -74.3 -39.6 7.9 -10.0 -4.8 27 27 A W H 3X S+ 0 0 8 -4,-4.7 4,-2.6 1,-0.2 5,-0.3 0.842 89.3 75.6 -58.4 -30.3 6.6 -7.1 -2.7 28 28 A Q H 3X S+ 0 0 53 -4,-2.0 4,-2.3 -5,-0.5 -1,-0.2 0.919 99.1 43.0 -48.1 -46.5 7.2 -4.9 -5.8 29 29 A D H S+ 0 0 63 -3,-1.0 4,-3.6 -4,-0.5 5,-0.5 0.953 108.0 59.4 -66.4 -47.2 4.0 -6.4 -7.3 30 30 A M H X5S+ 0 0 22 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.918 110.9 41.9 -47.6 -47.5 2.1 -6.2 -4.0 31 31 A L H X5S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.956 118.6 45.2 -67.2 -48.2 2.6 -2.4 -4.0 32 32 A A H X5S+ 0 0 28 -4,-2.3 4,-3.9 -5,-0.3 5,-0.2 0.989 116.4 44.0 -59.5 -59.3 1.9 -2.1 -7.8 33 33 A F H X5S+ 0 0 89 -4,-3.6 4,-2.4 1,-0.2 5,-0.3 0.918 114.7 51.9 -53.0 -42.6 -1.2 -4.4 -7.7 34 34 A A H X< S+ 0 0 24 -4,-2.4 3,-1.8 -5,-0.2 6,-0.3 0.916 110.9 58.3 -68.6 -41.7 -6.7 -1.5 -8.0 38 38 A T H 3< S+ 0 0 8 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.839 99.4 60.1 -58.9 -30.5 -6.9 1.7 -5.8 39 39 A K T 3< S+ 0 0 126 -4,-1.5 -1,-0.3 -3,-0.2 2,-0.2 0.694 82.6 103.2 -72.1 -15.2 -6.7 3.8 -9.0 40 40 A N S <> S- 0 0 66 -3,-1.8 4,-2.3 -4,-0.4 3,-0.5 -0.496 77.4-132.8 -69.3 131.1 -10.0 2.1 -10.3 41 41 A E H > S+ 0 0 156 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.945 108.5 51.4 -48.8 -54.3 -13.0 4.4 -9.9 42 42 A Q H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.870 107.7 54.2 -54.9 -33.8 -15.1 1.6 -8.3 43 43 A M H > S+ 0 0 3 -3,-0.5 4,-3.1 -6,-0.3 -1,-0.2 0.957 108.3 48.1 -66.4 -44.4 -12.2 1.0 -5.9 44 44 A A H X S+ 0 0 35 -4,-2.3 4,-3.8 2,-0.2 -2,-0.2 0.921 108.7 55.5 -60.8 -40.0 -12.3 4.7 -4.9 45 45 A E H < S+ 0 0 134 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.957 113.5 39.8 -57.7 -48.4 -16.1 4.3 -4.5 46 46 A L H >< S+ 0 0 75 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.879 116.3 52.6 -68.9 -35.2 -15.5 1.4 -2.0 47 47 A L H 3< S+ 0 0 5 -4,-3.1 2,-1.6 1,-0.3 -2,-0.2 0.948 106.3 52.5 -66.3 -47.0 -12.6 3.3 -0.4 48 48 A S T 3< S+ 0 0 93 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.329 85.1 156.9 -85.9 57.6 -14.7 6.5 0.1 49 49 A G < - 0 0 28 -2,-1.6 2,-2.7 -3,-0.6 -3,-0.1 -0.130 63.5 -70.1 -74.0 177.3 -17.4 4.5 2.0 50 50 A A S S- 0 0 98 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.372 96.7 -59.4 -70.5 74.4 -19.9 6.1 4.5 51 51 A L S S+ 0 0 175 -2,-2.7 -1,-0.2 1,-0.2 -3,-0.1 0.795 102.1 138.8 56.6 27.3 -17.2 6.7 7.2 52 52 A A > + 0 0 23 1,-0.2 4,-1.6 -5,-0.1 -3,-0.3 -0.831 24.8 172.0-108.9 99.7 -16.5 2.9 7.2 53 53 A P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.912 80.9 51.5 -70.8 -45.6 -12.8 2.2 7.4 54 54 A E H >>S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 5,-0.6 0.899 106.9 57.0 -61.7 -35.8 -13.1 -1.6 8.0 55 55 A T H >5S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.979 114.0 35.7 -59.6 -56.1 -15.4 -1.7 4.9 56 56 A L H X5S+ 0 0 15 -4,-1.6 4,-1.6 -9,-0.2 -2,-0.2 0.897 122.5 47.4 -67.3 -37.0 -12.8 -0.2 2.5 57 57 A A H X5S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.995 118.8 36.7 -67.8 -61.4 -9.9 -2.0 4.3 58 58 A E H X5S+ 0 0 81 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.952 118.1 51.9 -57.4 -48.1 -11.4 -5.5 4.5 59 59 A S H X - 0 0 35 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 -0.262 34.1-110.2 -62.8 154.1 2.2 -10.2 3.0 70 70 A E H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 126.3 45.9 -55.0 -38.7 1.1 -10.1 6.7 71 71 A N H > S+ 0 0 56 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.895 111.1 53.9 -70.0 -36.8 2.6 -6.5 6.7 72 72 A G H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.965 110.7 43.9 -62.7 -51.4 0.9 -5.8 3.3 73 73 A Q H X S+ 0 0 60 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.958 117.6 46.0 -59.7 -47.7 -2.6 -6.8 4.6 74 74 A N H X S+ 0 0 84 -4,-2.2 4,-3.8 -5,-0.3 5,-0.3 0.933 107.6 58.6 -61.0 -43.1 -2.0 -4.8 7.9 75 75 A L H X S+ 0 0 23 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.942 105.8 48.5 -52.4 -49.0 -0.7 -1.9 5.8 76 76 A I H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.953 114.9 45.5 -57.8 -47.4 -4.0 -1.6 3.9 77 77 A R H X S+ 0 0 94 -4,-2.0 4,-4.2 2,-0.2 5,-0.4 0.980 112.5 49.2 -60.5 -54.6 -5.9 -1.8 7.3 78 78 A V H X S+ 0 0 57 -4,-3.8 4,-1.9 1,-0.2 -1,-0.2 0.907 113.6 48.6 -52.5 -39.4 -3.5 0.8 8.9 79 79 A M H <>S+ 0 0 0 -4,-2.9 5,-4.1 -5,-0.3 6,-0.8 0.940 116.0 43.0 -66.7 -43.7 -4.1 3.0 5.8 80 80 A A H ><5S+ 0 0 0 -4,-3.0 3,-2.3 4,-0.3 -2,-0.2 0.964 110.8 54.1 -66.7 -51.0 -7.9 2.4 6.1 81 81 A E H 3<5S+ 0 0 100 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.902 114.3 42.3 -51.0 -42.2 -7.9 2.9 9.9 82 82 A N T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.440 116.9-116.7 -85.6 2.6 -6.2 6.3 9.4 83 83 A G T < 5S+ 0 0 42 -3,-2.3 -3,-0.2 -4,-0.1 -2,-0.1 0.865 88.7 109.7 67.0 33.3 -8.5 7.1 6.4 84 84 A R > < + 0 0 86 -5,-4.1 3,-2.4 -6,-0.2 -4,-0.3 0.170 25.9 118.9-124.0 17.3 -5.5 7.1 4.0 85 85 A L G > S+ 0 0 2 -6,-0.8 3,-0.5 1,-0.3 -5,-0.1 0.855 71.9 64.6 -53.4 -32.8 -6.1 3.8 2.0 86 86 A N G 3 S+ 0 0 76 1,-0.3 2,-0.6 -7,-0.2 -1,-0.3 0.739 82.7 78.7 -65.0 -18.4 -6.3 6.0 -1.1 87 87 A A G <> + 0 0 5 -3,-2.4 4,-1.4 1,-0.2 -1,-0.3 -0.010 56.5 119.7 -81.0 37.0 -2.6 6.9 -0.6 88 88 A L H <> S+ 0 0 2 -2,-0.6 4,-2.0 -3,-0.5 -53,-0.2 0.896 74.2 47.2 -68.8 -38.0 -1.6 3.5 -2.1 89 89 A P H > S+ 0 0 42 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.906 104.1 60.7 -71.4 -40.0 0.5 5.2 -5.0 90 90 A D H > S+ 0 0 12 1,-0.2 4,-2.3 -4,-0.2 5,-0.2 0.940 110.7 41.8 -51.6 -46.3 2.2 7.6 -2.6 91 91 A V H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.934 114.2 52.7 -67.3 -43.4 3.7 4.5 -0.8 92 92 A L H X S+ 0 0 35 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.967 111.1 45.4 -56.9 -54.4 4.3 2.8 -4.2 93 93 A E H X S+ 0 0 135 -4,-3.7 4,-2.4 1,-0.2 5,-0.2 0.960 115.1 47.4 -55.7 -51.4 6.3 5.8 -5.5 94 94 A Q H X S+ 0 0 39 -4,-2.3 4,-3.3 -5,-0.3 -1,-0.2 0.927 112.8 50.5 -57.3 -42.4 8.3 6.1 -2.2 95 95 A F H X S+ 0 0 0 -4,-3.1 4,-3.9 2,-0.2 5,-0.3 0.954 107.0 53.2 -61.9 -48.2 8.9 2.3 -2.4 96 96 A I H X S+ 0 0 81 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.946 115.0 41.6 -53.1 -47.5 10.2 2.5 -6.1 97 97 A H H X S+ 0 0 133 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.964 114.9 50.3 -65.8 -48.9 12.6 5.2 -4.9 98 98 A L H X S+ 0 0 41 -4,-3.3 4,-2.5 -5,-0.2 5,-0.3 0.940 112.5 48.2 -54.5 -46.3 13.5 3.3 -1.7 99 99 A R H X S+ 0 0 39 -4,-3.9 4,-2.1 1,-0.2 -2,-0.2 0.973 112.0 47.7 -59.3 -53.3 14.1 0.2 -3.8 100 100 A A H X S+ 0 0 54 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.860 111.5 54.2 -57.2 -33.7 16.3 2.1 -6.3 101 101 A V H >X S+ 0 0 69 -4,-2.7 4,-4.1 -5,-0.2 3,-1.5 0.994 107.2 46.3 -65.5 -60.7 18.2 3.6 -3.3 102 102 A S H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.868 106.4 60.9 -51.3 -37.6 19.1 0.3 -1.6 103 103 A E H 3< S+ 0 0 118 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.873 119.6 27.7 -60.1 -32.2 20.2 -1.1 -5.1 104 104 A A H << 0 0 81 -3,-1.5 -2,-0.2 -4,-1.0 -1,-0.2 0.842 360.0 360.0 -95.2 -42.1 22.8 1.7 -5.1 105 105 A T < 0 0 143 -4,-4.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.807 360.0 360.0-161.6 360.0 23.3 2.2 -1.3