==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-10 3M4Y . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII OT3; . AUTHOR M.S.MANIMEKALAI,A.M.BALAKRISHNA,A.KUMAR,R.PRIYA,G.BIUKOVIC, . 558 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 4 1 3 0 0 0 2 0 0 1 0 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 . 4 6 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 1 1 0 0 0 0 0 0 1 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 23 A A 0 0 140 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.0 -2.7 -14.3 49.0 2 24 A K - 0 0 118 1,-0.1 39,-0.0 2,-0.0 0, 0.0 -0.791 360.0-145.5 -90.4 124.2 -5.7 -16.4 47.7 3 25 A M - 0 0 109 -2,-0.5 317,-0.1 1,-0.1 -1,-0.1 0.462 16.3-150.7 -71.3 -2.1 -7.8 -14.4 45.2 4 26 A Y + 0 0 155 1,-0.2 -1,-0.1 8,-0.0 -2,-0.0 0.783 22.1 176.9 27.1 52.2 -11.0 -16.1 46.5 5 27 A E + 0 0 45 8,-0.2 2,-0.3 314,-0.0 -1,-0.2 0.524 69.1 25.2 -58.6 -4.6 -12.6 -15.7 43.0 6 28 A V S S- 0 0 20 274,-0.1 2,-0.3 273,-0.1 6,-0.1 -0.974 88.4-104.9-149.2 160.3 -15.6 -17.5 44.5 7 29 A V - 0 0 100 -2,-0.3 2,-1.5 4,-0.1 3,-0.4 -0.724 56.0 -91.1 -81.2 139.5 -17.2 -18.1 47.9 8 30 A R S S+ 0 0 235 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.306 95.0 99.8 -54.1 85.0 -16.5 -21.6 49.3 9 31 A V S S- 0 0 59 -2,-1.5 -1,-0.2 2,-0.2 3,-0.1 0.538 88.7 -26.4-132.9 -71.9 -19.6 -23.3 47.8 10 32 A G S S+ 0 0 2 -3,-0.4 2,-0.2 1,-0.4 -2,-0.1 0.425 108.2 1.3-147.4 1.8 -19.6 -25.4 44.6 11 33 A E - 0 0 11 -4,-0.3 270,-0.5 14,-0.1 -1,-0.4 -0.754 51.0-171.2 173.5 148.8 -16.9 -24.6 42.1 12 34 A L - 0 0 33 12,-0.3 2,-0.9 -2,-0.2 12,-0.4 -0.997 31.2-112.8-149.8 149.2 -13.9 -22.3 41.5 13 35 A G - 0 0 8 -2,-0.3 2,-0.5 10,-0.1 10,-0.2 -0.746 37.4-162.7 -84.0 103.1 -11.4 -21.3 38.8 14 36 A L - 0 0 27 8,-3.1 7,-0.9 -2,-0.9 2,-0.6 -0.752 5.4-158.7 -93.1 127.1 -8.0 -22.6 40.0 15 37 A I B -A 20 0A 116 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.925 15.1-159.5-110.1 117.7 -4.9 -21.2 38.4 16 38 A G - 0 0 24 3,-2.5 5,-0.0 -2,-0.6 -1,-0.0 -0.022 35.2 -80.8 -86.3-171.0 -1.8 -23.4 38.7 17 39 A E S S- 0 0 123 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.904 121.1 -5.0 -58.2 -51.9 2.0 -22.9 38.4 18 40 A I S S+ 0 0 133 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.455 127.6 69.0-122.3 -11.6 2.3 -22.9 34.6 19 41 A I - 0 0 36 14,-0.1 -3,-2.5 15,-0.0 2,-0.5 -0.952 68.0-144.8-123.8 132.9 -1.3 -23.7 33.6 20 42 A R B +A 15 0A 129 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.820 56.6 21.5-109.4 125.4 -4.4 -21.5 34.0 21 43 A L + 0 0 58 -7,-0.9 12,-0.9 -2,-0.5 11,-0.5 0.762 55.1 142.6 93.9 108.6 -8.0 -22.5 34.8 22 44 A E - 0 0 11 -8,-0.3 -8,-3.1 9,-0.2 2,-0.3 -0.913 29.4-134.0-154.3 176.2 -9.4 -25.6 36.5 23 45 A G E +B 30 0B 6 7,-2.2 7,-1.2 -2,-0.3 2,-0.2 -0.988 17.3 174.4-147.4 152.1 -12.2 -26.5 38.9 24 46 A D E -B 29 0B 9 -12,-0.4 -12,-0.3 -2,-0.3 5,-0.2 -0.816 27.0-147.5-139.6 177.7 -13.2 -28.4 42.1 25 47 A K S S+ 0 0 114 3,-1.0 -14,-0.1 -2,-0.2 -1,-0.1 0.675 99.3 2.9-108.9 -56.4 -15.9 -29.1 44.7 26 48 A A S S- 0 0 56 2,-0.4 -2,-0.1 -16,-0.1 3,-0.1 0.903 122.2 -68.5 -94.1 -69.3 -14.0 -29.8 47.9 27 49 A V S S+ 0 0 65 1,-0.1 2,-0.5 17,-0.1 17,-0.5 0.154 109.0 103.5-164.2 -16.0 -10.3 -29.3 47.0 28 50 A I - 0 0 100 15,-0.2 -3,-1.0 1,-0.0 2,-0.5 -0.693 66.4-150.4 -71.4 120.2 -10.0 -32.3 44.7 29 51 A Q E -B 24 0B 12 15,-1.7 17,-0.4 -2,-0.5 -5,-0.3 -0.872 20.3-149.7-116.6 120.5 -10.1 -30.7 41.2 30 52 A V E -B 23 0B 48 -7,-1.2 -7,-2.2 -2,-0.5 2,-0.4 -0.587 37.1-149.8 -69.7 143.3 -11.3 -31.9 37.8 31 53 A Y - 0 0 35 17,-3.8 -9,-0.2 -2,-0.2 3,-0.1 -0.961 42.5-173.8-137.5 140.3 -9.1 -30.1 35.2 32 54 A E S S+ 0 0 103 -11,-0.5 2,-0.6 -2,-0.4 -10,-0.1 0.864 89.0 65.6 -83.7 -48.5 -9.1 -28.7 31.7 33 55 A E S S- 0 0 35 -12,-0.9 -1,-0.1 1,-0.1 -14,-0.1 -0.704 90.7-133.8 -79.4 120.4 -5.3 -27.9 31.9 34 56 A T + 0 0 120 -2,-0.6 -1,-0.1 1,-0.1 -3,-0.1 0.729 43.2 171.2 -54.8 -40.0 -3.6 -31.3 32.2 35 57 A A - 0 0 43 1,-0.2 2,-0.2 10,-0.0 -1,-0.1 0.322 42.7 -96.7 63.9 174.5 -1.2 -30.4 35.1 36 58 A G - 0 0 56 9,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.679 55.7-105.5-134.6 80.0 1.1 -32.3 37.3 37 59 A V S S+ 0 0 61 -2,-0.2 7,-0.2 9,-0.1 -2,-0.0 0.511 92.0 41.6 -12.8 127.8 -0.8 -33.0 40.6 38 60 A R + 0 0 169 5,-1.0 6,-0.2 3,-0.1 3,-0.1 0.914 64.1 159.6 89.1 64.1 0.1 -31.0 43.8 39 61 A P > - 0 0 36 0, 0.0 4,-0.6 0, 0.0 2,-0.1 -0.071 55.4 -37.8 -83.2-160.9 0.7 -27.3 43.0 40 62 A G T 4 S+ 0 0 49 2,-0.1 -2,-0.1 -2,-0.1 -23,-0.0 -0.349 118.6 28.0 -66.9 144.9 0.5 -24.5 45.6 41 63 A E T 4 S- 0 0 140 1,-0.1 2,-0.4 -3,-0.1 -3,-0.1 0.806 119.7 -67.0 61.3 117.7 -2.2 -24.6 48.3 42 64 A P T 4 S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.078 81.3 153.2 -42.1 81.7 -3.1 -28.3 49.0 43 65 A V < - 0 0 16 -4,-0.6 -5,-1.0 -2,-0.4 2,-0.5 -0.961 24.9-166.5-120.3 120.2 -4.7 -29.1 45.7 44 66 A V - 0 0 46 -2,-0.5 -15,-1.7 -17,-0.5 -17,-0.1 -0.900 14.2-136.3-108.7 127.2 -4.8 -32.7 44.3 45 67 A G - 0 0 11 -2,-0.5 2,-0.2 -17,-0.2 -15,-0.1 0.026 20.8-160.8 -67.4-177.4 -5.7 -33.5 40.6 46 68 A T - 0 0 66 -17,-0.4 -9,-0.1 2,-0.1 -1,-0.1 -0.645 45.7 -50.7-146.8-167.4 -7.9 -36.3 39.5 47 69 A G S S- 0 0 75 -2,-0.2 -17,-0.1 1,-0.1 -2,-0.0 0.957 86.7-113.9 -41.3 -63.7 -8.9 -38.5 36.5 48 70 A A + 0 0 42 1,-0.2 -17,-3.8 -3,-0.0 -2,-0.1 -0.375 67.4 82.5 172.1 -75.9 -9.4 -35.3 34.4 49 71 A S - 0 0 57 -19,-0.2 2,-0.8 1,-0.1 -1,-0.2 -0.276 56.0-132.3 -86.4 142.8 -12.5 -33.8 32.9 50 72 A L + 0 0 31 -20,-0.1 123,-1.5 -2,-0.1 124,-0.5 -0.787 59.0 160.3 -73.6 112.3 -15.4 -31.6 34.0 51 73 A S E -C 172 0C 41 -2,-0.8 2,-0.3 121,-0.3 238,-0.1 -0.768 39.9-128.1-138.7 171.6 -18.1 -33.8 32.5 52 74 A V E -C 171 0C 0 119,-1.9 119,-1.5 -2,-0.2 2,-0.5 -0.887 23.2-121.8-121.4 155.2 -21.7 -34.8 32.4 53 75 A E E -C 170 0C 27 -2,-0.3 2,-0.6 117,-0.2 117,-0.2 -0.864 26.8-164.0 -94.8 130.7 -23.5 -38.2 32.6 54 76 A L E +C 169 0C 0 115,-3.1 115,-2.0 -2,-0.5 36,-0.0 -0.945 42.1 77.3-123.9 108.6 -25.6 -38.9 29.6 55 77 A G S > S- 0 0 0 -2,-0.6 3,-1.1 113,-0.3 113,-0.2 -0.951 87.5 -21.6 177.7-175.0 -28.1 -41.7 29.8 56 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 111,-0.0 -0.283 115.0 55.7 -50.4 125.1 -31.7 -42.5 31.1 57 79 A G T 3 S+ 0 0 5 33,-0.1 4,-0.0 4,-0.0 -3,-0.0 0.109 76.3 95.2 134.0 -17.2 -32.4 -40.0 33.9 58 80 A L X + 0 0 0 -3,-1.1 3,-1.7 2,-0.1 235,-0.0 0.941 65.3 83.4 -68.4 -49.1 -31.8 -36.7 32.1 59 81 A L T 3 S+ 0 0 4 1,-0.3 211,-0.2 211,-0.1 208,-0.2 -0.263 99.3 15.5 -65.2 143.1 -35.5 -36.0 31.2 60 82 A T T 3 S+ 0 0 74 209,-2.3 -1,-0.3 206,-1.2 2,-0.2 0.321 102.4 130.5 71.4 -2.9 -37.7 -34.4 33.8 61 83 A S < - 0 0 25 -3,-1.7 210,-2.6 208,-0.3 2,-0.4 -0.483 47.5-154.8 -86.5 150.7 -34.5 -33.4 35.7 62 84 A I E +d 271 0D 24 208,-0.2 8,-0.6 -2,-0.2 2,-0.2 -0.989 24.6 166.9-119.9 129.0 -33.5 -30.1 37.1 63 85 A Y E -dE 272 69D 6 208,-2.5 210,-3.0 -2,-0.4 2,-0.2 -0.750 29.4-121.7-128.0 175.7 -29.7 -29.4 37.5 64 86 A D E > -d 273 0D 2 4,-1.1 3,-2.4 -2,-0.2 210,-0.1 -0.511 59.1 -65.3-105.2-173.0 -27.3 -26.6 38.2 65 87 A G T 3 S+ 0 0 0 208,-0.6 224,-0.4 1,-0.3 225,-0.1 0.612 135.2 35.9 -50.3 -23.3 -24.3 -25.5 36.0 66 88 A I T 3 S- 0 0 35 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.062 119.2 -97.9-125.9 33.0 -22.5 -28.7 36.5 67 89 A Q S < S+ 0 0 9 -3,-2.4 -14,-0.1 1,-0.2 -2,-0.1 0.785 72.5 141.3 60.0 33.6 -25.3 -31.3 36.5 68 90 A R - 0 0 15 1,-0.1 -4,-1.1 18,-0.1 -1,-0.2 -0.933 50.8-114.4-100.1 133.7 -25.7 -31.7 40.3 69 91 A P B -E 63 0D 27 0, 0.0 16,-1.5 0, 0.0 -6,-0.2 0.179 32.2 -73.1 -68.9-176.3 -29.5 -32.1 41.2 70 92 A L + 0 0 89 -8,-0.6 13,-0.4 14,-0.1 15,-0.3 0.899 37.7 164.4 -46.6-105.2 -32.1 -30.0 43.2 71 93 A E - 0 0 105 11,-0.1 12,-1.2 13,-0.1 2,-0.3 0.858 27.8-161.4 63.6 106.4 -32.4 -29.6 47.0 72 94 A V E -N 82 0E 59 10,-0.2 2,-0.3 8,-0.0 10,-0.2 -0.819 13.8-148.1-114.5 154.5 -34.7 -26.6 47.7 73 95 A I E -N 81 0E 104 8,-2.1 8,-1.0 -2,-0.3 0, 0.0 -0.933 29.6-109.5-118.4 149.5 -35.3 -24.4 50.7 74 96 A R - 0 0 135 -2,-0.3 7,-0.8 6,-0.2 -1,-0.2 0.602 56.6 -26.0 -64.0-148.7 -38.7 -22.8 51.5 75 97 A E + 0 0 135 5,-0.1 2,-0.2 1,-0.1 5,-0.1 0.144 52.4 142.1 -67.4 176.2 -40.0 -19.2 51.4 76 98 A K S S- 0 0 139 4,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.573 75.6 -63.4-169.1-124.0 -38.4 -15.8 51.7 77 99 A T S S+ 0 0 140 -2,-0.2 167,-0.1 166,-0.1 -2,-0.1 0.418 148.8 33.7-120.7 -19.4 -39.3 -12.6 49.7 78 100 A G S S- 0 0 20 165,-0.1 169,-0.2 166,-0.0 -3,-0.1 0.661 107.1-153.1 -91.9 -34.9 -38.3 -14.3 46.5 79 101 A D + 0 0 46 167,-0.1 2,-0.2 168,-0.1 165,-0.1 0.162 64.0 62.1 88.2 -7.8 -39.7 -17.4 48.2 80 102 A F - 0 0 20 163,-0.4 2,-0.5 -5,-0.1 166,-0.2 -0.716 57.4-178.4-146.7 98.0 -37.7 -20.4 46.6 81 103 A I E -N 73 0E 60 -8,-1.0 -8,-2.1 -7,-0.8 2,-0.3 -0.823 8.9-176.2 -99.3 126.5 -33.9 -20.5 47.0 82 104 A A E -N 72 0E 10 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.910 7.8-178.8-125.8 151.6 -32.1 -23.4 45.3 83 105 A R - 0 0 87 -12,-1.2 2,-0.5 -13,-0.4 195,-0.1 -0.988 35.8 -99.2-147.3 147.8 -28.4 -24.6 45.2 84 106 A G - 0 0 7 -2,-0.3 2,-0.4 189,-0.1 -14,-0.1 -0.600 38.9-159.4 -74.5 121.6 -26.5 -27.4 43.6 85 107 A V - 0 0 39 -16,-1.5 2,-1.0 -2,-0.5 -21,-0.1 -0.839 26.3-108.1-105.7 138.5 -25.9 -30.3 45.9 86 108 A T S S+ 0 0 95 -2,-0.4 -18,-0.1 -18,-0.1 -2,-0.0 -0.500 73.2 114.6 -68.0 99.5 -23.2 -33.0 45.5 87 109 A A S S- 0 0 53 -2,-1.0 2,-0.3 -18,-0.0 -3,-0.0 -0.891 72.4 -61.9-156.0 175.7 -25.2 -36.1 44.5 88 110 A P - 0 0 72 0, 0.0 4,-0.1 0, 0.0 -20,-0.1 -0.533 31.6-145.6 -82.9 135.3 -25.5 -38.3 41.4 89 111 A A S S+ 0 0 11 -2,-0.3 -22,-0.0 1,-0.1 -21,-0.0 0.866 90.9 39.5 -59.5 -43.5 -26.7 -36.8 38.1 90 112 A L S S- 0 0 0 -21,-0.0 -33,-0.1 -36,-0.0 -1,-0.1 -0.941 99.9-107.2-111.8 132.2 -28.5 -39.9 37.0 91 113 A P - 0 0 45 0, 0.0 57,-0.5 0, 0.0 -2,-0.1 -0.322 22.4-162.6 -61.8 134.2 -30.4 -42.0 39.7 92 114 A R S S+ 0 0 60 1,-0.1 57,-0.3 55,-0.1 55,-0.0 0.599 84.3 58.9 -90.3 -13.6 -28.7 -45.2 40.5 93 115 A D S S+ 0 0 134 54,-0.1 -1,-0.1 55,-0.1 2,-0.1 0.767 81.6 96.2 -85.5 -33.0 -31.8 -46.8 42.1 94 116 A K - 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