==== 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 05-APR-10 3MFY . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.M.BALAKRISHNA,A.KUMAR,M.S.S.MANIMEKALI,J.JEYAKANTHAN,G.GRU . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 10.7 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 . 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 . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 3 2 0 2 0 1 1 0 1 0 0 2 0 0 0 1 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 2 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 . 1 5 2 3 2 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 . 4 1 1 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 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 61 A P 0 0 150 0, 0.0 45,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0-154.3 -15.3 -37.9 40.6 2 62 A G + 0 0 75 43,-0.1 43,-0.0 2,-0.0 8,-0.0 -0.433 360.0 136.5-137.2 62.4 -12.3 -36.0 42.0 3 63 A E - 0 0 101 8,-0.1 2,-0.5 2,-0.0 8,-0.3 -0.906 39.5-145.0-107.0 138.0 -9.3 -36.6 39.9 4 64 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.905 22.7 168.5-106.1 127.4 -6.9 -33.6 38.9 5 65 A V - 0 0 89 4,-0.7 -2,-0.0 -2,-0.5 6,-0.0 -0.998 38.6 -93.9-143.6 142.7 -5.0 -33.2 35.6 6 66 A V S S+ 0 0 147 -2,-0.3 2,-0.2 37,-0.0 37,-0.0 -0.050 97.1 26.0 -42.2 140.6 -3.0 -30.7 33.6 7 67 A G S S+ 0 0 51 35,-0.1 -2,-0.1 36,-0.0 34,-0.0 -0.525 124.8 15.1 83.9-166.2 -5.0 -28.6 31.1 8 68 A T S S- 0 0 82 -2,-0.2 3,-0.2 35,-0.1 -3,-0.2 -0.026 93.9-121.1 -37.7 135.7 -8.7 -28.1 31.9 9 69 A G S S- 0 0 7 32,-0.3 2,-1.0 1,-0.3 -4,-0.7 0.921 73.7 -1.6 -67.8-115.7 -9.1 -29.1 35.5 10 70 A A S S- 0 0 27 34,-0.4 -1,-0.3 -6,-0.2 33,-0.1 -0.763 94.7-107.6 -74.2 105.2 -11.3 -31.8 37.1 11 71 A S - 0 0 64 -2,-1.0 2,-0.6 -8,-0.3 -8,-0.1 -0.130 34.8-142.6 -48.0 108.1 -12.8 -32.9 33.7 12 72 A L + 0 0 25 122,-0.0 123,-2.4 0, 0.0 124,-0.6 -0.641 35.4 160.8 -82.6 115.7 -16.3 -31.5 34.1 13 73 A S E -A 134 0A 34 -2,-0.6 2,-0.3 121,-0.3 238,-0.1 -0.797 31.2-133.0-132.9 171.3 -18.7 -33.9 32.6 14 74 A V E -A 133 0A 1 119,-1.7 119,-1.4 -2,-0.3 2,-0.5 -0.875 23.3-116.4-125.7 157.3 -22.4 -34.9 32.6 15 75 A E E -A 132 0A 29 -2,-0.3 2,-0.6 117,-0.2 117,-0.2 -0.848 28.9-158.7 -95.5 129.1 -24.1 -38.2 32.9 16 76 A L E +A 131 0A 0 115,-3.2 115,-1.2 -2,-0.5 36,-0.0 -0.882 42.6 77.6-117.2 103.3 -26.1 -39.1 29.8 17 77 A G S > S- 0 0 0 -2,-0.6 3,-1.0 113,-0.2 113,-0.2 -0.980 76.4 -20.5-179.1-170.5 -28.9 -41.6 30.0 18 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 40,-0.0 -0.033 112.4 34.2 -59.9 146.6 -32.5 -42.4 31.1 19 79 A R T 3 S+ 0 0 71 33,-0.1 62,-0.0 4,-0.0 37,-0.0 0.372 79.5 110.7 88.5 0.3 -34.3 -40.2 33.6 20 80 A L X + 0 0 0 -3,-1.0 3,-1.5 2,-0.1 2,-0.1 0.907 61.8 86.1 -64.4 -41.1 -32.5 -37.0 32.4 21 81 A L T 3 S+ 0 0 1 1,-0.2 211,-0.2 211,-0.1 208,-0.1 -0.360 93.2 22.0 -61.8 138.8 -36.0 -36.0 31.1 22 82 A T T 3 S+ 0 0 38 209,-2.8 -1,-0.2 206,-0.7 2,-0.2 0.386 100.3 128.5 79.5 3.9 -38.2 -34.3 33.7 23 83 A S < - 0 0 5 -3,-1.5 210,-2.5 208,-0.4 2,-0.5 -0.596 48.3-153.2 -97.1 147.8 -35.1 -33.3 35.7 24 84 A I E +b 233 0B 69 -2,-0.2 2,-0.3 208,-0.2 210,-0.2 -0.982 24.2 167.7-116.7 128.2 -34.0 -29.9 37.0 25 85 A Y E -b 234 0B 3 208,-2.5 210,-3.5 -2,-0.5 2,-0.2 -0.814 30.2-121.5-126.6 171.2 -30.3 -29.2 37.5 26 86 A D E > -b 235 0B 2 4,-1.0 3,-2.7 -2,-0.3 210,-0.1 -0.438 61.2 -64.4 -96.3 178.3 -27.9 -26.4 38.2 27 87 A G T 3 S+ 0 0 0 208,-0.6 224,-0.4 1,-0.3 223,-0.1 0.576 135.7 36.0 -38.5 -24.2 -25.0 -25.4 35.9 28 88 A I T 3 S- 0 0 17 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 0.032 121.0 -94.1-127.9 30.6 -23.2 -28.7 36.5 29 89 A Q < + 0 0 12 -3,-2.7 -14,-0.1 1,-0.2 -2,-0.1 0.940 67.9 148.6 65.3 51.2 -26.0 -31.2 36.7 30 90 A R - 0 0 20 -4,-0.1 -4,-1.0 4,-0.1 -1,-0.2 -0.953 43.6-142.4-106.3 139.1 -26.8 -31.5 40.4 31 91 A P S S+ 0 0 49 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 0.856 75.5 84.2 -64.7 -32.4 -30.5 -32.3 41.2 32 92 A L S S- 0 0 94 16,-0.1 -2,-0.1 1,-0.1 2,-0.1 0.480 84.2-106.3 -57.3-171.2 -30.4 -30.1 44.3 33 93 A E S S+ 0 0 151 -8,-0.0 -7,-0.1 -7,-0.0 -1,-0.1 0.030 89.3 34.9 -86.9-145.9 -30.8 -26.3 44.8 34 94 A V S S- 0 0 83 -2,-0.1 2,-0.2 1,-0.1 206,-0.1 0.242 72.3-152.4 35.2-150.6 -27.6 -24.3 45.6 35 95 A I - 0 0 8 204,-0.1 2,-0.3 -9,-0.1 -1,-0.1 -0.831 5.1-144.8 157.8 160.8 -24.3 -25.4 43.9 36 96 A R + 0 0 161 -2,-0.2 2,-0.3 205,-0.1 11,-0.1 -0.931 32.9 120.7-154.5 133.8 -20.5 -25.1 44.7 37 97 A E - 0 0 21 -2,-0.3 206,-0.4 9,-0.1 2,-0.3 -0.951 46.9-130.5 179.1 161.1 -17.4 -24.6 42.5 38 98 A K - 0 0 135 -2,-0.3 5,-0.2 7,-0.1 8,-0.1 -0.629 28.6-161.9-129.1 79.0 -14.2 -22.7 41.3 39 99 A T + 0 0 20 -2,-0.3 2,-0.3 5,-0.1 5,-0.2 -0.297 31.2 129.2 -58.0 132.1 -14.2 -22.1 37.5 40 100 A G S S- 0 0 28 3,-0.4 -31,-0.2 1,-0.1 -2,-0.0 -0.902 72.2 -94.5-158.4-174.2 -10.8 -21.2 35.9 41 101 A D S S+ 0 0 132 -2,-0.3 -32,-0.3 1,-0.1 -1,-0.1 0.864 122.4 51.9 -68.3 -37.0 -8.4 -22.2 33.1 42 102 A F S S- 0 0 118 -34,-0.2 2,-0.3 1,-0.1 -37,-0.1 0.783 117.8 -54.8 -76.9 -36.3 -6.8 -24.4 35.7 43 103 A I - 0 0 72 -5,-0.2 -3,-0.4 -34,-0.2 2,-0.3 -0.958 36.9-129.9 172.8 176.1 -9.5 -26.6 37.3 44 104 A A - 0 0 15 -2,-0.3 2,-0.4 -5,-0.2 -34,-0.4 -0.911 15.4-146.4-161.2 140.1 -12.9 -26.7 39.2 45 105 A R + 0 0 203 -2,-0.3 2,-0.3 -36,-0.1 -7,-0.1 -0.928 27.2 147.3-120.3 132.6 -13.9 -28.5 42.5 46 106 A G + 0 0 36 -2,-0.4 2,-0.4 -45,-0.2 -9,-0.1 -0.932 15.0 178.0-167.3 132.8 -17.3 -30.0 43.4 47 107 A V + 0 0 126 -2,-0.3 2,-0.1 -11,-0.1 -2,-0.0 -0.994 29.7 91.4-141.1 139.8 -19.1 -32.8 45.3 48 108 A T - 0 0 82 1,-0.4 -16,-0.1 -2,-0.4 0, 0.0 -0.124 62.5 -10.6 145.5 122.5 -22.7 -33.8 46.1 49 109 A A - 0 0 62 -19,-0.1 2,-0.4 -2,-0.1 -1,-0.4 0.087 68.0 -81.2 77.2 177.6 -25.5 -36.1 44.8 50 110 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -20,-0.0 -0.992 18.3-150.1-125.4 131.6 -26.1 -38.1 41.6 51 111 A A S S+ 0 0 8 -2,-0.4 -21,-0.1 1,-0.1 -22,-0.0 0.882 89.8 35.8 -64.1 -41.3 -27.5 -36.7 38.3 52 112 A L S S- 0 0 0 -36,-0.0 -1,-0.1 2,-0.0 -33,-0.1 -0.949 94.8-111.4-115.8 131.1 -29.2 -40.0 37.3 53 113 A P - 0 0 17 0, 0.0 57,-0.4 0, 0.0 -2,-0.0 -0.371 17.0-162.8 -61.6 137.6 -30.9 -42.3 39.9 54 114 A R S S+ 0 0 60 1,-0.1 57,-0.2 55,-0.1 55,-0.0 0.454 86.1 63.8 -91.2 -4.3 -29.2 -45.7 40.5 55 115 A D S S+ 0 0 134 54,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.752 79.0 95.8 -92.6 -28.0 -32.4 -47.0 42.1 56 116 A K - 0 0 95 1,-0.1 54,-0.4 -37,-0.0 2,-0.4 -0.510 67.7-135.5 -78.7 131.4 -34.8 -46.9 39.1 57 117 A K - 0 0 136 -2,-0.3 2,-0.4 52,-0.1 52,-0.2 -0.677 19.9-158.5 -81.4 128.5 -35.4 -49.9 36.9 58 118 A W E -K 108 0C 12 50,-3.6 50,-2.7 -2,-0.4 2,-0.9 -0.926 19.5-123.5-113.3 135.6 -35.4 -49.3 33.2 59 119 A H E -K 107 0C 65 -2,-0.4 2,-0.4 21,-0.3 48,-0.2 -0.649 33.3-161.5 -74.2 107.8 -37.1 -51.4 30.5 60 120 A F E -K 106 0C 0 46,-2.8 46,-1.2 -2,-0.9 19,-0.2 -0.779 11.0-170.6 -96.7 129.1 -34.2 -52.3 28.1 61 121 A I E -L 78 0D 39 17,-2.2 17,-2.2 -2,-0.4 2,-0.1 -0.985 21.6-132.8-116.9 120.0 -34.9 -53.6 24.6 62 122 A P E +L 77 0D 39 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.435 23.0 179.8 -69.5 146.3 -31.9 -54.9 22.6 63 123 A K + 0 0 103 13,-2.8 2,-0.3 26,-0.1 14,-0.2 0.108 68.2 45.1-129.0 13.4 -31.5 -53.6 19.1 64 124 A A - 0 0 19 12,-0.7 2,-0.3 4,-0.0 12,-0.1 -0.927 68.1-148.9-148.8 168.4 -28.3 -55.5 18.3 65 125 A K > - 0 0 138 -2,-0.3 3,-2.1 -3,-0.1 34,-0.3 -0.891 37.9 -67.8-141.1 170.1 -26.9 -59.0 18.8 66 126 A V T 3 S+ 0 0 86 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.371 118.7 31.6 -62.8 127.8 -23.7 -60.9 19.4 67 127 A G T 3 S+ 0 0 40 32,-2.8 -1,-0.3 1,-0.4 2,-0.1 0.125 85.8 133.1 107.1 -19.7 -21.5 -60.7 16.4 68 128 A D < - 0 0 47 -3,-2.1 31,-2.4 31,-0.2 2,-0.4 -0.397 54.5-132.5 -63.2 135.9 -22.7 -57.3 15.3 69 129 A K E -N 98 0E 163 29,-0.2 2,-0.3 -2,-0.1 29,-0.2 -0.794 32.8-175.6 -86.2 135.0 -20.0 -54.8 14.3 70 130 A V E -N 97 0E 8 27,-2.6 27,-2.1 -2,-0.4 2,-0.3 -0.918 17.0-169.3-134.2 157.1 -20.6 -51.4 16.0 71 131 A V > - 0 0 49 -2,-0.3 3,-1.7 25,-0.2 20,-0.3 -0.791 50.9 -62.8-134.0 173.6 -19.1 -47.9 16.0 72 132 A G T 3 S+ 0 0 10 -2,-0.3 3,-0.1 1,-0.2 231,-0.1 -0.356 123.1 27.7 -63.4 146.4 -19.7 -44.9 18.3 73 133 A G T 3 S+ 0 0 6 18,-3.1 -1,-0.2 1,-0.3 228,-0.0 0.177 84.0 139.9 84.4 -15.5 -23.3 -43.7 18.1 74 134 A D < - 0 0 12 -3,-1.7 17,-2.2 18,-0.1 2,-0.7 -0.375 55.2-124.8 -60.9 139.8 -24.7 -47.1 17.1 75 135 A I E + M 0 90D 29 15,-0.2 15,-0.3 1,-0.1 -1,-0.1 -0.767 36.5 168.0 -92.9 118.4 -28.0 -47.8 18.8 76 136 A I E + 0 0 2 13,-3.1 -13,-2.8 -2,-0.7 -12,-0.7 0.498 63.6 4.1-110.7 -6.7 -27.8 -51.1 20.6 77 137 A G E -LM 62 89D 0 12,-1.1 12,-3.2 -15,-0.3 2,-0.4 -0.983 58.6-133.8-166.9 168.2 -31.0 -50.8 22.7 78 138 A E E -LM 61 88D 44 -17,-2.2 -17,-2.2 -2,-0.3 10,-0.2 -0.980 11.9-169.3-131.8 144.5 -34.2 -48.7 23.4 79 139 A V E - M 0 87D 0 8,-2.9 8,-3.5 -2,-0.4 2,-0.9 -0.989 24.9-132.3-131.9 122.6 -35.7 -47.6 26.7 80 140 A P E + M 0 86D 65 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.660 34.9 173.8 -68.7 110.2 -39.1 -46.1 26.9 81 141 A E - 0 0 17 4,-1.9 2,-0.2 -2,-0.9 5,-0.2 0.963 59.6 -0.6 -87.4 -62.9 -38.2 -43.2 29.2 82 142 A T S S- 0 0 22 3,-1.4 -1,-0.1 147,-0.2 5,-0.1 -0.597 85.5 -94.6-111.4 179.2 -41.3 -41.1 29.5 83 143 A S S S+ 0 0 68 -2,-0.2 3,-0.1 1,-0.1 142,-0.0 0.597 127.5 39.3 -69.1 -7.2 -44.7 -41.6 27.9 84 144 A I S S+ 0 0 37 145,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.832 109.8 54.7-102.9 -45.2 -43.4 -39.3 25.1 85 145 A I - 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