==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-09 3I72 . COMPND 2 MOLECULE: A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR S.M.S.MANIMEKALAI,A.KUMAR,A.M.BALAKRISHNA,G.GRUBER . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 10.1 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 . 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 . 38 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 1 1 1 1 1 0 2 0 0 0 0 1 0 0 0 1 0 1 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 2 1 1 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 1 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 . 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 61 A P 0 0 160 0, 0.0 2,-0.1 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 127.5 36.7 -15.9 17.2 2 62 A G - 0 0 66 1,-0.2 44,-0.1 8,-0.1 9,-0.0 -0.312 360.0 -50.6-116.7-164.4 38.0 -13.4 14.6 3 63 A E - 0 0 159 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.393 50.1-115.4 -75.7 144.0 38.1 -9.7 13.5 4 64 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.478 34.4-177.7 -72.3 150.5 35.0 -7.4 13.2 5 65 A V - 0 0 72 -2,-0.1 2,-0.5 0, 0.0 4,-0.2 -0.986 21.9-123.5-151.5 147.2 34.0 -6.0 9.8 6 66 A V + 0 0 143 -2,-0.3 37,-0.1 4,-0.1 4,-0.0 -0.830 69.1 39.6 -99.9 126.7 31.3 -3.6 8.4 7 67 A G S S- 0 0 43 -2,-0.5 35,-0.1 35,-0.1 -1,-0.1 0.615 114.5 -22.5 107.8 111.7 28.8 -4.5 5.6 8 68 A T S S+ 0 0 123 33,-0.3 35,-0.2 2,-0.1 34,-0.2 0.602 125.0 39.9 36.9 24.0 26.8 -7.7 4.8 9 69 A G - 0 0 16 33,-1.5 2,-0.2 -4,-0.2 34,-0.2 -0.538 56.5-147.9 168.1 124.7 29.3 -9.8 6.8 10 70 A A S S- 0 0 24 -2,-0.2 3,-0.2 -6,-0.1 -8,-0.1 -0.179 87.2 -81.5 -76.0 38.5 31.5 -10.1 9.9 11 71 A S - 0 0 72 -2,-0.2 2,-0.4 1,-0.2 -2,-0.1 0.870 60.1-158.5 49.0 49.3 33.7 -12.0 7.3 12 72 A L + 0 0 40 122,-0.1 123,-1.2 1,-0.1 124,-0.6 -0.352 28.2 164.5 -49.9 105.6 31.6 -15.3 7.7 13 73 A S E -A 134 0A 48 -2,-0.4 2,-0.3 121,-0.3 -1,-0.1 -0.603 34.6-144.7-131.0-177.1 34.1 -18.0 6.5 14 74 A V E -A 133 0A 0 119,-1.3 119,-1.8 -2,-0.2 2,-0.3 -0.957 21.7-123.9-145.8 152.0 35.1 -21.6 6.3 15 75 A E E -A 132 0A 27 -2,-0.3 2,-0.4 117,-0.2 117,-0.2 -0.839 21.5-163.7-104.1 147.2 38.4 -23.4 6.3 16 76 A L E +A 131 0A 0 115,-2.2 115,-1.0 -2,-0.3 3,-0.0 -0.927 40.4 83.0-138.5 106.0 39.3 -25.8 3.5 17 77 A G S > S- 0 0 0 -2,-0.4 3,-0.7 113,-0.2 113,-0.2 -0.939 79.9 -15.5-177.6-174.8 42.1 -28.3 3.7 18 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 40,-0.0 -0.021 117.1 36.0 -42.5 138.4 42.8 -31.9 4.9 19 79 A R T 3 S+ 0 0 83 33,-0.1 -3,-0.0 -3,-0.0 37,-0.0 0.555 74.6 111.5 86.1 13.1 40.2 -33.3 7.4 20 80 A L X + 0 0 0 -3,-0.7 3,-1.1 2,-0.1 235,-0.0 0.868 68.1 81.7 -68.2 -39.8 37.1 -31.8 5.8 21 81 A L T 3 S+ 0 0 1 1,-0.2 211,-0.2 211,-0.1 208,-0.1 -0.306 98.8 12.8 -67.2 150.4 36.4 -35.4 4.9 22 82 A T T 3 S+ 0 0 56 209,-2.4 -1,-0.2 206,-1.3 2,-0.2 0.358 102.4 127.1 63.7 0.3 34.8 -37.8 7.5 23 83 A S < - 0 0 4 -3,-1.1 210,-2.3 208,-0.3 2,-0.4 -0.499 51.6-147.2 -93.2 154.5 34.1 -34.7 9.6 24 84 A I E +b 233 0B 29 -2,-0.2 8,-0.7 208,-0.2 2,-0.2 -0.980 27.2 163.6-124.2 127.0 30.7 -33.6 11.1 25 85 A Y E -bC 234 31B 3 208,-1.9 210,-3.3 -2,-0.4 2,-0.2 -0.675 30.9-118.3-129.2 179.5 29.9 -29.9 11.4 26 86 A D E > -b 235 0B 2 4,-0.9 3,-2.8 208,-0.2 210,-0.1 -0.686 56.1 -72.4-111.9 177.1 27.1 -27.4 12.0 27 87 A G T 3 S+ 0 0 0 208,-0.5 224,-0.4 1,-0.3 223,-0.1 0.527 134.0 39.2 -42.7 -18.9 25.9 -24.6 9.7 28 88 A I T 3 S- 0 0 35 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.074 121.3 -98.9-129.5 30.5 29.0 -22.5 10.4 29 89 A Q S < S+ 0 0 8 -3,-2.8 -2,-0.1 1,-0.2 -14,-0.1 0.665 71.1 140.5 65.1 27.8 31.6 -25.3 10.4 30 90 A R - 0 0 12 1,-0.1 -4,-0.9 -4,-0.1 4,-0.3 -0.855 53.8 -99.3 -97.1 140.1 32.2 -26.0 14.1 31 91 A P B -C 25 0B 33 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.269 58.9 -43.6 -57.4 175.8 32.7 -29.8 14.9 32 92 A L S S+ 0 0 115 -8,-0.7 -7,-0.1 1,-0.2 -6,-0.0 -0.166 123.5 9.0 -51.3 102.9 30.4 -32.5 16.3 33 93 A E S S+ 0 0 178 -3,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.850 85.9 154.6 96.4 49.4 28.3 -31.1 19.3 34 94 A V - 0 0 19 -3,-0.5 -1,-0.2 -4,-0.3 -4,-0.1 -0.743 29.5-109.5-115.7 162.7 28.9 -27.3 19.3 35 95 A I - 0 0 64 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.617 30.5 -50.6 -92.0-146.1 26.8 -24.4 20.5 36 96 A R + 0 0 101 204,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.586 36.9 152.4-113.9 154.3 24.6 -21.3 20.0 37 97 A E - 0 0 34 -2,-0.2 2,-0.3 10,-0.0 205,-0.1 -0.384 28.1-120.6-144.3-157.1 24.5 -17.9 18.1 38 98 A K - 0 0 156 7,-0.4 7,-0.6 -2,-0.1 0, 0.0 -0.930 25.6-112.1-168.0 162.3 22.3 -15.2 16.6 39 99 A T - 0 0 55 -2,-0.3 6,-0.1 5,-0.1 4,-0.1 0.417 21.3-179.5 -87.8-153.6 21.7 -13.7 13.1 40 100 A G - 0 0 19 2,-0.1 2,-0.7 4,-0.1 -2,-0.0 -0.070 34.1-138.4 148.5 116.9 22.2 -10.4 11.1 41 101 A D S S+ 0 0 109 1,-0.2 -33,-0.3 -2,-0.1 3,-0.1 0.049 115.7 19.8 -68.0 28.7 21.5 -9.1 7.6 42 102 A F S S+ 0 0 115 -2,-0.7 -33,-1.5 1,-0.5 2,-0.3 0.350 128.2 14.2-164.1 -47.5 24.9 -7.5 8.2 43 103 A I - 0 0 75 -34,-0.2 -1,-0.5 -35,-0.2 2,-0.3 -0.859 49.8-171.7-145.9 165.7 27.0 -9.1 11.0 44 104 A A - 0 0 27 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.1 -0.953 8.6-149.2-162.3 157.3 27.2 -12.3 13.2 45 105 A R - 0 0 181 -7,-0.6 -7,-0.4 -2,-0.3 2,-0.1 -0.867 10.9-165.7-130.0 163.7 29.2 -13.6 16.3 46 106 A G - 0 0 29 -2,-0.3 -10,-0.1 1,-0.1 -1,-0.0 -0.380 10.6-141.8-129.8-158.4 30.4 -16.9 17.7 47 107 A V - 0 0 59 2,-0.1 -1,-0.1 -2,-0.1 -10,-0.0 0.274 55.0 -32.5-137.2 -97.3 31.9 -19.0 20.7 48 108 A T S S+ 0 0 110 2,-0.0 -2,-0.0 -47,-0.0 -14,-0.0 0.417 79.6 96.7-135.9 2.9 34.5 -21.8 21.2 49 109 A A - 0 0 34 1,-0.1 -2,-0.1 -18,-0.0 -15,-0.0 -0.803 46.4-150.5-107.6 145.7 35.1 -24.5 18.5 50 110 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.588 9.9-143.3 -74.8-131.5 37.8 -24.8 15.7 51 111 A A S S+ 0 0 6 1,-0.3 -22,-0.0 -21,-0.1 -21,-0.0 0.194 73.7 34.2-165.1 -54.8 37.3 -26.7 12.3 52 112 A L S S- 0 0 2 -21,-0.0 -1,-0.3 -36,-0.0 2,-0.2 -0.979 89.9-104.3-119.7 133.1 40.3 -28.5 11.0 53 113 A P - 0 0 24 0, 0.0 57,-0.5 0, 0.0 0, 0.0 -0.360 24.8-169.0 -63.5 126.2 42.8 -30.2 13.4 54 114 A R S S+ 0 0 69 -2,-0.2 57,-0.3 1,-0.2 56,-0.0 0.701 85.7 57.5 -85.0 -20.4 46.1 -28.4 13.9 55 115 A D S S+ 0 0 142 54,-0.1 -1,-0.2 55,-0.1 2,-0.1 0.765 84.4 98.8 -79.6 -27.7 47.7 -31.3 15.8 56 116 A K - 0 0 86 1,-0.1 2,-0.5 -37,-0.0 54,-0.4 -0.342 67.5-137.0 -66.7 139.4 47.2 -33.9 13.0 57 117 A K - 0 0 129 52,-0.1 2,-0.4 -2,-0.1 52,-0.2 -0.879 18.7-165.1-102.2 127.4 50.2 -34.6 10.6 58 118 A W E -L 108 0C 10 50,-2.8 50,-2.3 -2,-0.5 2,-0.7 -0.855 23.2-121.1-112.2 141.0 49.6 -34.9 6.9 59 119 A H E -L 107 0C 62 -2,-0.4 2,-0.5 21,-0.3 48,-0.2 -0.717 31.5-163.4 -80.2 116.8 51.8 -36.4 4.2 60 120 A F E -L 106 0C 0 46,-2.8 46,-1.3 -2,-0.7 19,-0.2 -0.898 7.7-165.7-105.1 127.5 52.5 -33.6 1.7 61 121 A I E -M 78 0D 41 17,-1.9 17,-2.4 -2,-0.5 43,-0.1 -0.955 23.1-129.5-113.8 114.0 53.8 -34.5 -1.8 62 122 A P E +M 77 0D 41 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.323 25.6 179.6 -66.3 145.2 55.2 -31.5 -3.7 63 123 A K + 0 0 113 13,-3.6 2,-0.3 2,-0.0 14,-0.2 0.368 63.3 47.3-125.8 -0.4 53.9 -31.1 -7.2 64 124 A A S S- 0 0 15 12,-1.0 2,-0.3 4,-0.0 12,-0.1 -0.879 70.2-137.6-136.6 165.7 55.6 -27.9 -8.3 65 125 A K > - 0 0 143 -2,-0.3 3,-2.5 -3,-0.1 34,-0.3 -0.922 35.2 -80.1-130.1 154.0 59.2 -26.6 -8.1 66 126 A V T 3 S+ 0 0 88 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.258 119.2 32.9 -45.5 126.1 61.1 -23.4 -7.2 67 127 A G T 3 S+ 0 0 45 32,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.222 85.2 132.4 103.6 -12.3 60.9 -21.2 -10.4 68 128 A D < - 0 0 46 -3,-2.5 31,-2.4 31,-0.2 -1,-0.3 -0.560 55.7-131.8 -71.1 127.6 57.4 -22.4 -11.5 69 129 A K E -O 98 0E 166 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.651 34.3-174.2 -72.6 138.0 55.0 -19.7 -12.4 70 130 A V E -O 97 0E 6 27,-2.8 27,-2.2 -2,-0.3 2,-0.3 -0.942 15.7-165.1-137.4 158.2 51.6 -20.3 -10.7 71 131 A V > - 0 0 37 -2,-0.3 3,-2.3 25,-0.2 20,-0.3 -0.856 47.4 -63.2-133.5 167.0 48.1 -18.9 -10.6 72 132 A G T 3 S+ 0 0 10 -2,-0.3 233,-0.2 1,-0.3 3,-0.1 -0.292 124.3 23.1 -47.8 130.8 45.0 -19.1 -8.4 73 133 A G T 3 S+ 0 0 6 18,-3.1 -1,-0.3 1,-0.3 230,-0.0 0.109 85.9 140.1 97.2 -21.7 43.9 -22.8 -8.5 74 134 A D < - 0 0 15 -3,-2.3 17,-2.6 18,-0.1 2,-0.6 -0.219 55.5-120.9 -57.1 145.6 47.2 -24.3 -9.5 75 135 A I E + N 0 90D 41 15,-0.2 15,-0.2 1,-0.1 -1,-0.1 -0.800 36.3 169.3 -96.0 118.8 48.0 -27.5 -7.8 76 136 A I E - 0 0 1 13,-3.0 -13,-3.6 -2,-0.6 -12,-1.0 0.651 63.3 -1.8-108.9 -18.7 51.2 -27.3 -5.8 77 137 A G E -MN 62 89D 0 12,-1.1 12,-3.1 -15,-0.3 2,-0.4 -0.978 59.5-124.4-158.8 173.4 51.0 -30.6 -3.8 78 138 A E E -MN 61 88D 46 -17,-2.4 -17,-1.9 -2,-0.3 10,-0.2 -0.986 13.7-166.5-124.5 130.8 49.0 -33.7 -3.0 79 139 A V E - N 0 87D 0 8,-3.0 8,-3.4 -2,-0.4 2,-1.3 -0.942 20.5-138.4-118.7 110.4 47.9 -35.0 0.4 80 140 A P E + N 0 86D 68 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.515 34.1 171.0 -62.2 93.3 46.6 -38.6 0.7 81 141 A E - 0 0 16 -2,-1.3 2,-0.3 4,-1.2 5,-0.2 0.811 56.7 -4.6 -86.6 -40.3 43.6 -37.7 3.1 82 142 A T S S- 0 0 28 3,-1.3 5,-0.1 147,-0.1 -1,-0.0 -0.827 84.0 -90.7-137.0-178.9 41.6 -41.0 3.3 83 143 A S S S+ 0 0 66 -2,-0.3 3,-0.1 1,-0.2 147,-0.1 0.684 126.6 36.4 -70.4 -15.8 41.8 -44.3 1.5 84 144 A I S S+ 0 0 43 145,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.854 110.6 56.3 -98.1 -47.3 39.5 -42.9 -1.2 85 145 A I - 0 0 5 144,-0.6 -3,-1.3 -5,-0.0 -4,-1.2 -0.821 55.8-156.7-110.4 118.1 40.4 -39.2 -1.7 86 146 A V E -N 80 0D 53 -2,-0.6 2,-0.4 -6,-0.2 -3,-0.0 -0.729 25.3-137.4 -72.2 124.1 43.7 -37.5 -2.6 87 147 A H E -N 79 0D 0 -8,-3.4 -8,-3.0 -2,-0.5 2,-0.5 -0.740 13.5-147.0 -83.3 133.4 43.5 -33.9 -1.3 88 148 A K E -N 78 0D 45 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.922 7.2-141.2-104.4 127.0 44.9 -31.5 -3.9 89 149 A I E -N 77 0D 4 -12,-3.1 -13,-3.0 -2,-0.5 -12,-1.1 -0.793 26.3-170.3 -92.4 119.8 46.6 -28.4 -2.5 90 150 A M E -N 75 0D 7 -2,-0.6 -15,-0.2 -15,-0.2 -16,-0.1 -0.843 31.0-108.2-116.6 144.3 45.9 -25.3 -4.5 91 151 A V - 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