==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 08-APR-09 2KHK . COMPND 2 MOLECULE: ATP SYNTHASE SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.PRIYA,G.BIUKOVIC,S.GAYEN,S.VIVEKANANDAN,G.GRUBER . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 67.9 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 . 3 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 60.4 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+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 0 0 0 0 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 0 248 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.6 2.1 -0.0 -1.2 2 2 A A + 0 0 96 1,-0.3 2,-0.8 2,-0.1 0, 0.0 0.898 360.0 43.8 -94.6 -61.6 1.4 -3.7 -1.9 3 3 A A - 0 0 45 1,-0.2 -1,-0.3 2,-0.0 4,-0.1 -0.796 61.3-178.4 -93.0 111.3 -2.1 -4.3 -0.8 4 4 A I S S- 0 0 172 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.994 73.2 -42.8 -69.5 -66.1 -4.5 -1.6 -1.9 5 5 A E S S+ 0 0 182 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.098 113.9 84.6-164.1 48.8 -7.8 -2.7 -0.5 6 6 A K + 0 0 187 2,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.672 50.3 106.9-159.7 97.7 -8.2 -6.5 -1.0 7 7 A R + 0 0 170 -2,-0.2 3,-0.1 -4,-0.1 -4,-0.0 -0.867 19.7 166.2-173.5 137.5 -6.6 -9.1 1.3 8 8 A Q S S+ 0 0 188 -2,-0.3 2,-0.8 1,-0.2 3,-0.2 0.682 78.1 27.0-118.3 -68.7 -7.8 -11.5 4.0 9 9 A K > + 0 0 141 1,-0.2 4,-0.7 2,-0.1 3,-0.3 -0.820 57.2 163.1-106.3 94.7 -5.1 -14.1 4.9 10 10 A E H > + 0 0 120 -2,-0.8 4,-2.6 1,-0.2 5,-0.3 0.785 68.1 74.9 -78.8 -28.8 -1.7 -12.6 4.3 11 11 A I H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.836 93.0 56.3 -51.8 -35.0 0.0 -15.2 6.4 12 12 A A H > S+ 0 0 47 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.974 108.3 43.2 -62.3 -57.6 -0.6 -17.7 3.6 13 13 A D H X S+ 0 0 116 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.887 117.0 48.6 -56.4 -41.2 1.2 -15.6 0.9 14 14 A G H X S+ 0 0 39 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.819 110.6 51.4 -69.7 -31.0 4.0 -14.9 3.4 15 15 A L H X S+ 0 0 102 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.942 116.2 38.0 -70.9 -49.5 4.3 -18.5 4.3 16 16 A A H X S+ 0 0 54 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.855 119.7 48.8 -69.9 -36.0 4.6 -19.9 0.8 17 17 A S H X S+ 0 0 78 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.888 117.4 40.2 -71.0 -40.3 6.7 -16.9 -0.3 18 18 A A H X S+ 0 0 47 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.816 117.7 49.4 -77.3 -32.3 9.1 -17.2 2.7 19 19 A E H X S+ 0 0 118 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.951 111.5 46.3 -71.5 -51.5 9.1 -21.0 2.5 20 20 A R H X S+ 0 0 205 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.882 117.7 45.3 -58.7 -40.0 9.9 -21.2 -1.2 21 21 A A H X S+ 0 0 52 -4,-1.3 4,-3.0 -5,-0.2 5,-0.3 0.957 113.7 47.0 -69.0 -52.6 12.6 -18.6 -0.8 22 22 A H H X S+ 0 0 129 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 117.1 44.3 -55.5 -47.0 14.2 -20.1 2.3 23 23 A K H X S+ 0 0 137 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.921 113.4 50.9 -64.7 -45.3 14.2 -23.6 0.8 24 24 A D H X S+ 0 0 112 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.958 114.1 42.6 -57.1 -55.0 15.5 -22.3 -2.6 25 25 A L H X S+ 0 0 95 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.912 115.0 51.8 -58.9 -44.6 18.4 -20.4 -1.0 26 26 A D H X S+ 0 0 109 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.967 111.9 43.9 -56.8 -57.9 19.1 -23.3 1.4 27 27 A L H X S+ 0 0 117 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.875 114.9 52.3 -56.0 -39.4 19.3 -25.9 -1.4 28 28 A A H X S+ 0 0 51 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.974 111.9 42.6 -61.6 -57.8 21.3 -23.5 -3.5 29 29 A K H X S+ 0 0 139 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.931 116.6 48.8 -55.0 -49.7 23.9 -22.8 -0.9 30 30 A A H X S+ 0 0 56 -4,-2.9 4,-2.8 -5,-0.3 5,-0.3 0.928 111.0 49.9 -56.9 -48.5 24.1 -26.5 0.1 31 31 A S H X S+ 0 0 68 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.907 113.0 47.5 -57.9 -44.0 24.5 -27.6 -3.5 32 32 A A H X S+ 0 0 46 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.969 113.6 45.5 -62.2 -56.1 27.3 -25.1 -4.1 33 33 A T H X S+ 0 0 84 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.943 117.1 44.6 -52.9 -54.0 29.2 -25.9 -0.9 34 34 A D H X S+ 0 0 103 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.921 114.3 50.1 -57.7 -46.7 28.9 -29.7 -1.5 35 35 A Q H X S+ 0 0 133 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.939 114.6 43.4 -58.0 -50.4 29.7 -29.3 -5.2 36 36 A L H X S+ 0 0 115 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.957 114.7 48.6 -60.8 -53.2 32.8 -27.2 -4.5 37 37 A K H X S+ 0 0 101 -4,-3.1 4,-2.9 -5,-0.3 5,-0.3 0.907 113.3 49.0 -53.8 -45.3 34.0 -29.4 -1.6 38 38 A K H X S+ 0 0 133 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.969 112.9 45.2 -59.8 -56.6 33.5 -32.5 -3.8 39 39 A A H X S+ 0 0 62 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.934 116.5 46.6 -53.1 -51.6 35.4 -31.1 -6.8 40 40 A K H >X S+ 0 0 122 -4,-3.1 4,-1.0 1,-0.2 3,-0.6 0.973 113.0 47.0 -55.9 -60.3 38.2 -29.8 -4.6 41 41 A A H 3< S+ 0 0 40 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.830 113.2 52.0 -51.7 -34.3 38.6 -33.0 -2.6 42 42 A E H 3< S+ 0 0 156 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.856 95.4 68.2 -71.8 -36.2 38.5 -34.9 -5.9 43 43 A A H << S- 0 0 84 -4,-2.2 -1,-0.2 -3,-0.6 -2,-0.2 0.832 135.1 -62.9 -51.8 -34.3 41.3 -32.7 -7.4 44 44 A Q S < S- 0 0 169 -4,-1.0 2,-0.2 -3,-0.4 -3,-0.1 -0.129 93.0 -36.0-175.7 -74.5 43.6 -34.4 -4.9 45 45 A V + 0 0 114 -5,-0.2 2,-0.4 2,-0.0 -4,-0.1 -0.724 50.7 170.7-177.4 123.4 43.0 -33.9 -1.2 46 46 A I - 0 0 72 -2,-0.2 -5,-0.1 -9,-0.1 -2,-0.0 -0.987 27.8-125.5-144.1 130.9 41.7 -31.0 1.0 47 47 A I - 0 0 156 -2,-0.4 2,-0.3 1,-0.1 -6,-0.1 0.080 32.3-106.7 -60.9-179.9 40.7 -30.9 4.7 48 48 A E - 0 0 141 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.842 21.2-121.9-115.5 152.4 37.4 -29.6 5.8 49 49 A Q - 0 0 161 -2,-0.3 2,-0.8 1,-0.0 0, 0.0 -0.780 19.1-135.4 -95.7 133.7 36.4 -26.4 7.6 50 50 A A + 0 0 79 -2,-0.4 -1,-0.0 1,-0.2 -2,-0.0 -0.781 22.6 177.4 -91.3 110.7 34.7 -26.5 11.0 51 51 A N S S- 0 0 144 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.0 0.779 86.5 -0.0 -80.4 -28.6 31.8 -24.0 11.1 52 52 A K 0 0 201 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.649 360.0 360.0-122.5 -64.5 30.8 -25.1 14.6 53 53 A R 0 0 269 0, 0.0 -3,-0.1 0, 0.0 0, 0.0 0.212 360.0 360.0-167.6 360.0 33.1 -27.8 16.0