==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-10 3P20 . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII, PYROCOCCUS HORI . AUTHOR M.S.S.MANIMEKALAI,A.KUMAR,J.JEYAKANTHAN,G.GRUBER . 517 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 68.1 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 . 53 10.3 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 . 3 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 1 3 1 1 1 0 1 1 0 0 0 0 1 0 0 0 0 2 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 . 4 4 0 5 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 . 2 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 62 A G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.9 -10.0 36.1 -15.0 2 63 A E - 0 0 125 1,-0.2 6,-0.0 8,-0.0 7,-0.0 -0.947 360.0 -70.1-168.7 172.7 -7.6 36.2 -12.0 3 64 A P - 0 0 93 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.352 40.4-104.3 -70.9-152.4 -4.4 34.5 -10.6 4 65 A V + 0 0 122 5,-0.0 4,-0.2 6,-0.0 -2,-0.0 0.822 51.7 140.1-111.4 -45.4 -3.6 31.1 -9.2 5 66 A V S S- 0 0 142 2,-0.1 2,-0.6 1,-0.0 0, 0.0 0.274 79.6 -52.8 -23.7 96.3 -3.1 30.9 -5.3 6 67 A G S S+ 0 0 62 1,-0.1 2,-1.4 0, 0.0 34,-0.0 -0.571 121.1 40.6 76.1-114.4 -4.7 27.7 -4.1 7 68 A T S S- 0 0 90 -2,-0.6 34,-0.1 3,-0.1 128,-0.1 -0.563 104.7 -83.2 -88.0 85.0 -8.4 27.1 -5.1 8 69 A G S S- 0 0 12 -2,-1.4 34,-0.2 32,-0.4 33,-0.1 0.004 74.2 -35.4 66.1-162.4 -9.0 28.2 -8.7 9 70 A A S S- 0 0 12 32,-0.2 -5,-0.0 -3,-0.0 -2,-0.0 0.277 92.1 -59.3 -72.8-154.9 -9.7 31.7 -10.0 10 71 A S - 0 0 61 2,-0.0 -3,-0.1 123,-0.0 -8,-0.0 0.985 66.1-172.1 -50.5 -66.8 -11.8 34.3 -8.0 11 72 A L + 0 0 46 1,-0.1 123,-1.1 122,-0.1 124,-0.5 0.974 23.1 149.8 75.0 69.4 -15.0 32.0 -8.0 12 73 A S E -A 133 0A 43 121,-0.3 2,-0.3 122,-0.1 -1,-0.1 -0.411 40.8-134.6-129.6-179.3 -17.7 34.1 -6.6 13 74 A V E -A 132 0A 0 119,-1.1 119,-2.5 -2,-0.1 2,-0.4 -0.982 21.2-125.9-145.0 150.3 -21.4 35.1 -6.3 14 75 A E E -A 131 0A 28 -2,-0.3 2,-0.5 117,-0.2 117,-0.2 -0.825 23.0-163.8-102.1 137.9 -23.2 38.4 -6.4 15 76 A L E +A 130 0A 0 115,-2.5 115,-1.5 -2,-0.4 3,-0.0 -0.966 41.3 77.6-134.3 113.4 -25.5 39.1 -3.5 16 77 A G S S- 0 0 0 -2,-0.5 3,-0.4 113,-0.2 113,-0.2 -0.943 79.9 -6.6 170.3-172.0 -28.2 41.8 -3.7 17 78 A P S S+ 0 0 0 0, 0.0 92,-0.0 0, 0.0 40,-0.0 -0.060 115.8 31.0 -51.5 146.6 -31.6 42.5 -5.1 18 79 A R S S+ 0 0 82 33,-0.1 63,-0.0 -3,-0.0 3,-0.0 0.776 76.7 109.4 64.6 36.9 -33.2 39.9 -7.5 19 80 A L > + 0 0 0 -3,-0.4 3,-1.2 32,-0.1 213,-0.3 0.748 69.6 79.7 -83.9 -45.2 -31.6 36.8 -6.1 20 81 A L T 3 S+ 0 0 0 1,-0.3 211,-0.2 211,-0.1 208,-0.1 -0.329 103.9 13.8 -55.8 142.8 -35.2 36.2 -5.0 21 82 A T T 3 S+ 0 0 51 209,-2.1 -1,-0.3 206,-1.2 210,-0.1 0.120 101.8 126.8 69.5 -18.0 -37.4 34.8 -7.7 22 83 A S < - 0 0 4 -3,-1.2 210,-2.1 208,-0.2 2,-0.5 -0.403 50.2-154.1 -72.4 142.6 -34.2 34.1 -9.7 23 84 A I E +b 232 0B 44 208,-0.2 8,-1.2 -3,-0.1 2,-0.3 -0.988 24.8 179.3-113.0 119.5 -33.6 30.6 -11.0 24 85 A Y E -bC 233 30B 0 208,-2.5 210,-3.3 -2,-0.5 2,-0.1 -0.799 27.8-124.0-117.3 160.6 -29.8 30.0 -11.4 25 86 A D > - 0 0 1 4,-1.6 3,-1.4 -2,-0.3 210,-0.1 -0.289 58.2 -75.0 -80.8-173.8 -27.5 27.3 -12.5 26 87 A G T 3 S+ 0 0 0 208,-0.4 224,-0.3 1,-0.3 223,-0.1 0.517 132.6 42.5 -66.5 -9.5 -24.7 26.1 -10.1 27 88 A I T 3 S- 0 0 40 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.327 121.9 -94.3-135.0 47.0 -22.6 29.1 -10.7 28 89 A Q S < S+ 0 0 14 -3,-1.4 -2,-0.1 1,-0.2 -14,-0.1 0.572 71.8 143.5 61.0 24.1 -25.2 31.9 -10.6 29 90 A R - 0 0 25 1,-0.1 -4,-1.6 3,-0.0 -1,-0.2 -0.840 57.0-106.2 -92.9 131.1 -26.1 32.4 -14.3 30 91 A P B -C 24 0B 43 0, 0.0 2,-1.0 0, 0.0 -6,-0.2 -0.127 57.7 -67.6 -58.8 156.2 -29.8 33.2 -14.9 31 92 A L S S+ 0 0 47 -8,-1.2 2,-0.3 -6,-0.0 -7,-0.1 -0.419 83.1 109.0 -88.3 98.8 -31.8 30.4 -16.4 32 93 A E S S- 0 0 161 -2,-1.0 2,-0.3 -3,-0.1 -7,-0.1 -0.895 83.0 -95.3-125.6 139.0 -31.4 29.0 -19.8 33 94 A V + 0 0 69 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.332 65.0 153.9 -62.3 115.2 -29.8 25.5 -19.4 34 95 A I - 0 0 61 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.1 -0.586 31.4-104.3-140.9-166.9 -25.9 25.7 -19.8 35 96 A R + 0 0 119 -2,-0.2 2,-0.4 204,-0.2 9,-0.1 -0.974 17.1 173.5-146.3 124.9 -22.3 24.4 -19.1 36 97 A E - 0 0 12 -2,-0.4 207,-0.6 204,-0.1 206,-0.3 -0.990 18.0-162.2-123.5 121.9 -19.0 24.9 -17.1 37 98 A K + 0 0 175 -2,-0.4 2,-0.3 205,-0.1 7,-0.2 -0.802 31.1 112.7-100.1 143.5 -16.1 22.3 -17.2 38 99 A T - 0 0 30 -2,-0.3 204,-0.1 5,-0.1 5,-0.1 -0.985 46.2-136.6-176.5-170.5 -13.3 22.1 -14.6 39 100 A G S S- 0 0 46 -2,-0.3 -1,-0.0 3,-0.1 0, 0.0 0.134 86.0 -34.5-127.2-109.7 -11.4 20.4 -11.7 40 101 A D S S+ 0 0 104 -2,-0.1 -32,-0.4 -34,-0.0 -2,-0.0 0.159 130.5 65.7 -98.9 13.6 -10.2 22.3 -8.7 41 102 A F S S- 0 0 116 1,-0.2 -32,-0.2 -34,-0.1 2,-0.2 0.393 87.5 -66.0-106.6-124.2 -9.6 25.2 -11.1 42 103 A I - 0 0 91 -34,-0.2 2,-0.2 1,-0.0 -1,-0.2 -0.540 33.1-107.4-137.7-172.2 -11.8 27.5 -13.3 43 104 A A - 0 0 50 -2,-0.2 2,-0.2 -5,-0.1 -5,-0.1 -0.763 3.3-153.7-129.0 160.4 -14.3 28.0 -16.2 44 105 A R + 0 0 237 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.1 -0.519 42.4 123.7-106.4-174.8 -15.1 29.3 -19.7 45 106 A G - 0 0 58 -2,-0.2 2,-0.2 -9,-0.1 -9,-0.1 -1.000 44.5 -50.7 160.2-157.2 -18.7 30.2 -20.6 46 107 A V - 0 0 96 -2,-0.3 -12,-0.0 2,-0.1 0, 0.0 -0.695 47.2 -92.1-128.5-176.7 -21.4 32.7 -21.9 47 108 A T + 0 0 134 -2,-0.2 -2,-0.0 -18,-0.0 0, 0.0 0.191 66.2 120.8 -93.2 5.3 -22.7 36.2 -21.4 48 109 A A - 0 0 55 -18,-0.1 -2,-0.1 1,-0.1 -17,-0.0 -0.495 48.7-144.4 -75.8 133.3 -25.6 36.3 -18.9 49 110 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.695 9.9-131.9 -67.0-127.3 -25.2 38.5 -15.8 50 111 A A S S+ 0 0 6 1,-0.8 -22,-0.0 -21,-0.2 -2,-0.0 0.233 87.4 27.5-158.6 -62.7 -26.6 37.5 -12.3 51 112 A L S S- 0 0 0 -21,-0.0 -1,-0.8 -36,-0.0 -33,-0.1 -0.946 101.6-107.4-103.3 137.5 -28.5 40.3 -10.6 52 113 A P - 0 0 23 0, 0.0 57,-0.4 0, 0.0 0, 0.0 -0.415 21.4-157.3 -76.8 145.0 -29.8 42.5 -13.4 53 114 A R S S+ 0 0 63 1,-0.1 57,-0.3 -2,-0.1 56,-0.1 0.891 88.6 58.4 -85.3 -44.2 -28.3 46.0 -14.2 54 115 A D S S+ 0 0 140 54,-0.1 -1,-0.1 55,-0.1 54,-0.0 0.855 84.2 99.9 -47.6 -45.1 -31.3 47.6 -16.0 55 116 A K - 0 0 94 1,-0.1 2,-0.6 53,-0.0 54,-0.5 -0.170 65.3-145.0 -57.6 130.6 -33.6 47.1 -13.0 56 117 A K E -L 108 0C 131 52,-0.2 2,-0.4 53,-0.1 52,-0.3 -0.879 14.7-163.3-102.0 116.5 -34.3 50.1 -10.7 57 118 A W E -L 107 0C 11 50,-3.1 50,-2.6 -2,-0.6 2,-0.3 -0.782 22.0-120.2 -99.0 133.0 -34.7 49.3 -7.0 58 119 A H E -L 106 0C 66 -2,-0.4 2,-0.5 21,-0.3 48,-0.2 -0.580 32.3-159.8 -67.6 128.2 -36.2 51.6 -4.5 59 120 A F E -L 105 0C 0 46,-3.3 46,-1.4 -2,-0.3 19,-0.2 -0.955 11.0-166.0-120.2 117.0 -33.6 52.3 -1.8 60 121 A I E -M 77 0D 39 17,-2.6 17,-2.1 -2,-0.5 43,-0.1 -0.887 23.8-131.0 -98.6 113.6 -34.4 53.6 1.7 61 122 A P E -M 76 0D 38 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.306 20.6-173.6 -62.8 144.2 -31.3 54.9 3.6 62 123 A K + 0 0 109 13,-3.7 2,-0.3 2,-0.0 14,-0.2 -0.015 66.7 38.6-130.1 28.8 -31.0 53.5 7.2 63 124 A A - 0 0 22 12,-0.4 2,-0.3 4,-0.0 12,-0.0 -0.951 69.9-136.2-164.9 164.2 -28.0 55.6 8.3 64 125 A K > - 0 0 142 -2,-0.3 3,-1.7 -3,-0.1 34,-0.3 -0.792 39.3 -75.3-125.6 169.4 -26.7 59.1 7.9 65 126 A V T 3 S+ 0 0 82 -2,-0.3 34,-0.2 1,-0.2 3,-0.1 -0.447 119.1 38.4 -59.1 134.8 -23.3 60.9 7.2 66 127 A G T 3 S+ 0 0 46 32,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.315 84.0 130.3 100.9 -7.1 -21.3 60.7 10.4 67 128 A D < - 0 0 46 -3,-1.7 31,-2.1 31,-0.2 2,-0.4 -0.620 55.6-134.0 -77.4 132.6 -22.4 57.2 11.4 68 129 A K E -O 97 0E 185 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.737 33.1-177.5 -81.3 136.3 -19.6 54.7 12.3 69 130 A V E -O 96 0E 7 27,-2.7 27,-2.0 -2,-0.4 2,-0.3 -0.954 12.9-162.5-135.1 152.6 -20.3 51.4 10.6 70 131 A V > - 0 0 48 -2,-0.3 3,-2.6 25,-0.2 20,-0.3 -0.820 48.4 -56.2-125.0 173.0 -18.7 48.0 10.5 71 132 A G T 3 S+ 0 0 11 -2,-0.3 237,-0.1 1,-0.3 24,-0.1 -0.247 126.3 16.8 -44.5 109.7 -18.8 44.9 8.3 72 133 A G T 3 S+ 0 0 6 18,-2.4 -1,-0.3 1,-0.3 234,-0.0 0.344 82.6 142.6 109.1 -9.1 -22.5 44.0 8.2 73 134 A D < - 0 0 11 -3,-2.6 17,-2.5 18,-0.1 2,-0.7 -0.323 54.9-117.9 -59.3 146.4 -24.2 47.1 9.4 74 135 A I E + N 0 89D 40 15,-0.2 15,-0.2 1,-0.2 3,-0.1 -0.841 37.5 170.0 -95.1 117.2 -27.4 47.8 7.5 75 136 A I E + 0 0 1 13,-2.8 -13,-3.7 -2,-0.7 -12,-0.4 0.543 64.7 2.7-101.9 -13.1 -27.2 51.1 5.7 76 137 A G E -MN 61 88D 0 12,-1.1 12,-3.1 -15,-0.3 2,-0.4 -0.989 58.6-131.1-165.3 164.7 -30.4 50.7 3.7 77 138 A E E -MN 60 87D 40 -17,-2.1 -17,-2.6 -2,-0.3 10,-0.2 -0.974 12.9-166.9-124.0 138.6 -33.5 48.6 2.9 78 139 A V E - 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