==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-11 3SE0 . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR V.S.TADWAL,M.S.S.MANIMEKALAI,A.M.BALAKRISHNA,G.GRUBER . 519 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 3 1 0 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 . 3 4 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 . 3 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 64 A P 0 0 73 0, 0.0 2,-0.3 0, 0.0 292,-0.0 0.000 360.0 360.0 360.0 -1.3 6.4 14.7 27.6 2 65 A V - 0 0 47 290,-0.0 2,-0.9 2,-0.0 287,-0.0 -0.893 360.0-167.5-131.3 113.0 7.1 18.0 29.3 3 66 A V + 0 0 151 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.543 52.7 69.7-103.1 67.3 4.5 20.5 28.1 4 67 A G - 0 0 35 -2,-0.9 -2,-0.0 1,-0.1 35,-0.0 -0.974 57.3-144.5-172.5 160.0 6.0 23.8 29.3 5 68 A T - 0 0 115 1,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.722 50.6 -72.3 -95.9-102.2 8.7 26.5 28.9 6 69 A G - 0 0 38 33,-0.0 -1,-0.3 2,-0.0 33,-0.1 -0.680 22.7-111.8-146.2-164.8 10.0 28.3 32.0 7 70 A A S S- 0 0 35 -2,-0.2 32,-0.1 31,-0.1 33,-0.0 -0.276 84.6 -58.1-140.9 47.4 9.5 30.9 34.7 8 71 A S S S+ 0 0 117 1,-0.2 2,-0.6 32,-0.1 31,-0.0 0.620 72.2 170.8 91.4 22.1 11.9 33.8 33.8 9 72 A L + 0 0 31 122,-0.1 123,-1.0 1,-0.0 124,-0.5 -0.494 18.7 154.0 -75.4 112.1 15.3 32.0 33.8 10 73 A S E -A 131 0A 45 -2,-0.6 2,-0.3 121,-0.3 119,-0.0 -0.641 36.3-134.5-132.0 175.0 18.0 34.3 32.4 11 74 A V E -A 130 0A 0 119,-2.0 119,-1.9 -2,-0.2 2,-0.3 -0.944 21.1-124.5-128.7 157.2 21.6 35.5 32.2 12 75 A E E -A 129 0A 22 -2,-0.3 2,-0.4 117,-0.2 117,-0.2 -0.795 25.7-167.0 -94.5 143.2 23.4 38.8 32.3 13 76 A L E +A 128 0A 0 115,-2.1 115,-1.3 -2,-0.3 3,-0.0 -0.922 38.3 83.7-141.2 108.2 25.6 39.6 29.3 14 77 A G S > S- 0 0 0 -2,-0.4 3,-0.7 113,-0.2 113,-0.2 -0.950 83.3 -24.4 175.5 176.1 28.1 42.5 29.4 15 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 40,-0.1 -0.105 116.1 50.0 -45.1 136.0 31.6 43.4 30.5 16 79 A G T 3 S+ 0 0 4 33,-0.1 4,-0.1 -3,-0.0 37,-0.0 0.387 74.4 103.5 109.7 -0.7 32.7 41.1 33.3 17 80 A L X + 0 0 0 -3,-0.7 3,-1.2 2,-0.1 235,-0.0 0.894 62.5 86.4 -74.4 -43.3 31.8 37.7 31.8 18 81 A L T 3 S+ 0 0 3 1,-0.2 211,-0.2 211,-0.1 208,-0.1 -0.273 99.5 11.5 -59.8 145.2 35.5 37.0 31.0 19 82 A T T 3 S+ 0 0 75 209,-2.3 -1,-0.2 206,-1.0 210,-0.1 0.155 97.8 132.4 69.4 -14.5 37.6 35.3 33.7 20 83 A S < - 0 0 22 -3,-1.2 210,-2.1 208,-0.2 2,-0.5 -0.279 46.8-152.9 -67.3 150.0 34.3 34.6 35.7 21 84 A I E +b 230 0B 49 208,-0.2 8,-1.7 -3,-0.1 210,-0.2 -0.969 26.2 169.0-125.5 109.8 33.6 31.2 37.2 22 85 A Y E -bC 231 28B 3 208,-2.6 210,-3.5 -2,-0.5 2,-0.2 -0.592 30.0-122.1-112.6 174.4 29.9 30.5 37.5 23 86 A D > - 0 0 12 4,-1.4 3,-1.7 208,-0.2 4,-0.2 -0.497 57.5 -69.7-101.4-175.2 27.6 27.6 38.3 24 87 A G T 3 S+ 0 0 0 208,-0.4 224,-0.4 1,-0.3 223,-0.2 0.531 134.0 46.0 -54.9 -11.5 24.9 26.3 36.0 25 88 A I T 3 S- 0 0 40 2,-0.2 -1,-0.3 223,-0.1 -15,-0.1 -0.185 121.9 -96.5-127.2 39.4 22.7 29.4 36.6 26 89 A Q S < S+ 0 0 11 -3,-1.7 -2,-0.1 1,-0.2 -14,-0.1 0.725 78.3 141.2 53.7 30.1 25.4 32.2 36.2 27 90 A R - 0 0 18 -4,-0.2 -4,-1.4 4,-0.1 -1,-0.2 -0.902 54.2-109.4-104.0 124.1 26.0 32.4 39.9 28 91 A P B > -C 22 0B 28 0, 0.0 3,-1.2 0, 0.0 -6,-0.2 0.039 49.1 -63.4 -57.0 159.8 29.7 33.0 40.9 29 92 A L T 3 S+ 0 0 96 -8,-1.7 3,-0.1 1,-0.2 -6,-0.1 0.097 113.7 15.0 -47.0 143.9 32.0 30.4 42.6 30 93 A E T 3 S+ 0 0 165 1,-0.2 2,-0.7 -3,-0.1 -1,-0.2 0.418 85.4 130.3 71.9 1.8 31.3 29.0 46.1 31 94 A V < - 0 0 29 -3,-1.2 2,-0.6 -4,-0.2 -1,-0.2 -0.807 40.8-166.4 -90.6 115.0 27.7 30.3 46.2 32 95 A I + 0 0 125 -2,-0.7 2,-0.2 -3,-0.1 205,-0.1 -0.894 24.9 121.5-120.6 107.7 25.5 27.3 47.3 33 96 A R - 0 0 89 -2,-0.6 2,-0.2 9,-0.1 10,-0.1 -0.758 46.8 -90.3-143.1-167.0 21.7 27.0 47.1 34 97 A E + 0 0 150 -2,-0.2 8,-0.6 203,-0.1 2,-0.3 -0.526 27.7 169.3-111.0 172.0 18.8 24.9 45.6 35 98 A K - 0 0 28 -2,-0.2 205,-0.4 6,-0.1 2,-0.3 -0.889 12.0-177.7-170.7 153.2 16.6 24.6 42.5 36 99 A T - 0 0 106 3,-0.3 3,-0.4 -2,-0.3 -2,-0.0 -0.996 31.1 -8.6-155.3 160.6 14.2 21.9 41.1 37 100 A G S S- 0 0 63 -2,-0.3 4,-0.1 1,-0.2 3,-0.0 -0.161 97.6 -29.8 71.5-141.0 11.8 20.7 38.4 38 101 A D S S+ 0 0 66 2,-0.1 -1,-0.2 -32,-0.0 2,-0.2 0.673 118.9 30.4 -97.0 -26.2 10.4 22.4 35.3 39 102 A F S S- 0 0 96 -3,-0.4 -3,-0.3 1,-0.3 -33,-0.0 -0.525 96.7 -54.9-126.6-168.6 10.3 26.1 36.4 40 103 A I + 0 0 96 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.131 43.5 175.5 -68.9-179.9 12.2 28.4 38.8 41 104 A A - 0 0 48 -7,-0.1 2,-0.3 -6,-0.1 -6,-0.1 -0.079 35.5 -40.8-145.7-111.8 13.0 28.1 42.5 42 105 A R + 0 0 189 -8,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.885 43.8 150.6-138.9 164.0 15.0 30.1 45.1 43 106 A G + 0 0 47 -2,-0.3 -8,-0.0 -10,-0.1 -11,-0.0 -0.959 11.6 175.4-176.2 172.5 18.3 32.1 45.6 44 107 A V + 0 0 114 -2,-0.3 -1,-0.0 2,-0.1 -11,-0.0 0.389 56.2 61.0-153.0 -45.5 19.9 34.9 47.6 45 108 A T S S+ 0 0 98 1,-0.1 -2,-0.0 2,-0.0 -14,-0.0 0.987 74.5 44.2 -78.3 -86.1 23.6 35.7 47.2 46 109 A A - 0 0 33 -18,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.352 50.8-138.8 -92.1 143.7 25.7 36.7 44.2 47 110 A P - 0 0 72 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.729 20.1-136.6 -87.1 139.0 25.4 39.1 41.3 48 111 A A S S+ 0 0 10 -2,-0.3 -22,-0.0 1,-0.1 -2,-0.0 0.918 88.1 36.5 -65.0 -51.9 26.6 37.8 37.9 49 112 A L S S- 0 0 0 -29,-0.0 -33,-0.1 1,-0.0 -1,-0.1 -0.896 102.5 -97.5-104.7 132.7 28.6 40.8 36.6 50 113 A P - 0 0 44 0, 0.0 57,-0.5 0, 0.0 -2,-0.1 -0.210 29.2-162.4 -49.6 127.7 30.6 42.9 39.1 51 114 A R S S+ 0 0 78 1,-0.2 57,-0.3 55,-0.1 56,-0.0 0.694 85.6 49.9 -88.6 -19.9 28.6 46.0 40.2 52 115 A D S S+ 0 0 140 54,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.663 84.5 108.2 -91.7 -18.6 31.6 47.9 41.6 53 116 A K - 0 0 96 1,-0.1 2,-0.7 -37,-0.0 54,-0.4 -0.351 61.8-138.6 -70.7 138.5 34.0 47.5 38.6 54 117 A K - 0 0 142 52,-0.1 2,-0.4 -2,-0.1 52,-0.2 -0.870 20.0-166.8 -99.1 112.6 34.8 50.5 36.4 55 118 A W E -L 105 0C 9 50,-2.8 50,-2.3 -2,-0.7 2,-0.5 -0.811 22.9-120.0-101.2 137.3 34.9 49.7 32.7 56 119 A H E -L 104 0C 72 -2,-0.4 2,-0.6 21,-0.2 48,-0.2 -0.641 29.4-158.5 -78.4 121.2 36.3 52.0 30.1 57 120 A F E -L 103 0C 0 46,-3.3 46,-1.7 -2,-0.5 19,-0.2 -0.901 11.5-171.6-109.9 114.7 33.6 52.9 27.5 58 121 A I E -M 75 0D 39 17,-3.0 17,-2.9 -2,-0.6 2,-0.1 -0.917 26.6-129.9 -98.1 120.2 34.5 54.2 24.0 59 122 A P E -M 74 0D 37 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.427 23.7-176.9 -68.4 143.8 31.4 55.4 22.2 60 123 A K + 0 0 102 13,-3.7 2,-0.3 -2,-0.1 14,-0.2 0.440 64.2 55.9-115.6 -7.8 30.8 54.0 18.6 61 124 A A - 0 0 18 12,-1.0 2,-0.3 4,-0.0 12,-0.0 -0.797 65.2-144.9-125.4 165.9 27.7 56.0 17.8 62 125 A K > - 0 0 139 -2,-0.3 3,-2.5 -3,-0.0 34,-0.3 -0.955 39.9 -82.4-130.4 148.2 26.6 59.6 17.7 63 126 A V T 3 S+ 0 0 89 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.233 119.0 35.3 -46.0 128.8 23.3 61.4 18.4 64 127 A G T 3 S+ 0 0 42 32,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.168 83.2 134.2 105.0 -16.3 21.2 61.0 15.3 65 128 A D < - 0 0 47 -3,-2.5 31,-2.3 31,-0.2 2,-0.4 -0.514 54.3-132.8 -67.3 124.4 22.4 57.5 14.3 66 129 A K E -O 95 0E 158 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.662 34.1-174.7 -71.0 129.9 19.6 55.1 13.3 67 130 A V E -O 94 0E 10 27,-3.0 27,-2.1 -2,-0.4 2,-0.3 -0.901 15.3-167.0-127.6 159.9 20.2 51.8 15.2 68 131 A V > - 0 0 49 -2,-0.3 3,-2.6 25,-0.2 20,-0.3 -0.880 47.5 -62.0-133.0 169.2 18.8 48.2 15.3 69 132 A G T 3 S+ 0 0 10 -2,-0.3 3,-0.1 1,-0.3 242,-0.1 -0.288 125.3 22.3 -49.9 125.9 19.1 45.2 17.5 70 133 A G T 3 S+ 0 0 5 18,-3.1 -1,-0.3 1,-0.3 239,-0.0 0.189 86.0 140.9 98.4 -17.0 22.7 44.0 17.5 71 134 A D < - 0 0 14 -3,-2.6 17,-2.2 18,-0.1 2,-0.7 -0.319 55.6-119.9 -59.7 141.0 24.2 47.4 16.4 72 135 A I E + N 0 87D 42 15,-0.2 15,-0.2 1,-0.2 -1,-0.1 -0.746 36.5 170.3 -92.1 112.5 27.5 48.2 18.1 73 136 A I E - 0 0 2 13,-2.6 -13,-3.7 -2,-0.7 -12,-1.0 0.624 61.7 -3.2-100.7 -12.8 27.2 51.4 20.1 74 137 A G E -MN 59 86D 0 12,-1.1 12,-3.4 -15,-0.3 2,-0.4 -0.991 58.1-121.0-167.8 168.1 30.5 51.2 22.0 75 138 A E E -MN 58 85D 53 -17,-2.9 -17,-3.0 -2,-0.3 10,-0.2 -0.920 16.3-174.5-117.6 142.6 33.8 49.3 22.8 76 139 A V E - N 0 84D 0 8,-2.7 8,-3.9 -2,-0.4 2,-1.3 -0.957 24.0-138.0-135.8 114.4 35.0 48.2 26.2 77 140 A P E + N 0 83D 67 0, 0.0 -21,-0.2 0, 0.0 6,-0.2 -0.588 29.2 175.3 -70.3 94.8 38.5 46.6 26.6 78 141 A E - 0 0 12 4,-1.4 2,-0.3 -2,-1.3 5,-0.2 0.850 63.4 -3.4 -75.9 -38.7 37.5 43.8 29.0 79 142 A T S S- 0 0 28 3,-1.4 -1,-0.1 -3,-0.1 5,-0.1 -0.879 83.9 -92.0-140.2 173.5 40.9 42.0 29.2 80 143 A S S S+ 0 0 76 -2,-0.3 3,-0.1 1,-0.2 147,-0.1 0.745 127.9 37.2 -62.3 -22.3 44.3 42.5 27.5 81 144 A I S S+ 0 0 43 145,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.884 111.7 56.5 -89.6 -48.6 43.0 40.0 24.8 82 145 A I - 0 0 6 144,-0.6 -3,-1.4 -5,-0.0 -4,-1.4 -0.798 55.4-160.1-109.9 116.5 39.3 40.8 24.3 83 146 A V E -N 77 0D 51 -2,-0.6 2,-0.3 -6,-0.2 -3,-0.0 -0.786 26.2-138.5 -79.7 117.8 37.6 44.1 23.4 84 147 A H E -N 76 0D 0 -8,-3.9 -8,-2.7 -2,-0.6 2,-0.5 -0.628 10.4-143.7 -80.8 130.8 33.9 43.8 24.5 85 148 A K E -N 75 0D 47 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.873 9.5-138.7-100.0 128.1 31.4 45.2 21.9 86 149 A I E -N 74 0D 1 -12,-3.4 -13,-2.6 -2,-0.5 -12,-1.1 -0.756 27.2-164.1 -91.4 124.3 28.4 46.9 23.4 87 150 A M E -N 72 0D 9 -2,-0.5 -15,-0.2 -15,-0.2 -16,-0.1 -0.872 28.1-115.2-120.7 138.7 25.2 46.0 21.5 88 151 A V - 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