==== 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 01-JUL-09 3I4L . 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,J.JEYAKANTHAN, . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.7 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 . 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 . 42 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 2 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 . 2 5 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 . 3 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 0 147 0, 0.0 2,-0.2 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0-175.1 14.7 37.4 41.9 2 62 A G + 0 0 45 1,-0.1 8,-0.1 8,-0.1 0, 0.0 -0.321 360.0 144.8 64.2-118.4 11.3 35.7 41.5 3 63 A E - 0 0 157 -2,-0.2 7,-0.3 1,-0.1 -1,-0.1 0.798 46.2-174.3 48.6 42.0 8.8 37.6 39.3 4 64 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.143 15.6 178.8 -85.8 160.2 7.6 34.1 38.1 5 65 A V - 0 0 96 37,-0.1 4,-0.5 1,-0.0 6,-0.1 -0.923 31.2 -83.9-148.1 168.4 5.0 33.1 35.4 6 66 A V S S+ 0 0 147 -2,-0.3 2,-0.5 2,-0.1 4,-0.1 -0.283 90.3 41.5 -72.2 160.7 3.3 30.2 33.6 7 67 A G S S- 0 0 45 1,-0.1 283,-0.1 2,-0.1 -1,-0.0 -0.910 131.9 -25.6 104.4-130.4 4.9 28.3 30.7 8 68 A T S S+ 0 0 110 -2,-0.5 4,-0.3 4,-0.0 34,-0.2 -0.376 110.7 141.0-107.4 49.4 8.6 27.6 31.0 9 69 A G + 0 0 12 -4,-0.5 -2,-0.1 1,-0.1 -3,-0.1 0.038 29.0 107.0-101.2-164.3 8.9 30.5 33.3 10 70 A A S S- 0 0 18 -7,-0.3 -1,-0.1 33,-0.2 33,-0.1 0.189 96.3-100.3 103.0 0.1 10.4 32.0 36.5 11 71 A S - 0 0 72 1,-0.2 2,-0.7 -6,-0.1 -2,-0.1 0.864 46.6-159.0 48.7 53.9 12.4 34.0 33.8 12 72 A L + 0 0 49 -4,-0.3 123,-1.5 122,-0.1 124,-0.5 -0.413 29.9 155.3 -67.9 103.7 15.6 31.8 34.0 13 73 A S E -A 134 0A 41 -2,-0.7 2,-0.3 121,-0.3 238,-0.0 -0.571 38.7-137.4-132.0-178.6 18.3 34.1 32.7 14 74 A V E -A 133 0A 0 119,-1.4 119,-1.7 -2,-0.2 2,-0.4 -0.955 22.2-124.5-140.5 149.9 22.0 35.2 32.4 15 75 A E E -A 132 0A 28 -2,-0.3 2,-0.5 117,-0.2 117,-0.2 -0.818 22.4-163.0 -99.0 145.8 23.7 38.5 32.5 16 76 A L E +A 131 0A 0 115,-2.3 115,-0.9 -2,-0.4 3,-0.0 -0.924 40.0 84.3-136.6 107.2 26.0 39.4 29.6 17 77 A G S > S- 0 0 0 -2,-0.5 3,-0.8 113,-0.2 113,-0.2 -0.954 81.1 -17.4-178.2-174.7 28.6 42.2 29.8 18 78 A P T 3 S+ 0 0 1 0, 0.0 92,-0.1 0, 0.0 40,-0.0 -0.204 117.1 39.4 -48.9 131.3 32.1 42.9 31.0 19 79 A R T 3 S+ 0 0 61 33,-0.1 -3,-0.0 -3,-0.0 63,-0.0 0.524 72.6 106.2 101.8 15.3 33.4 40.2 33.4 20 80 A L X + 0 0 0 -3,-0.8 3,-1.7 2,-0.1 213,-0.2 0.865 69.0 85.5 -71.8 -42.5 32.1 37.0 32.0 21 81 A L T 3 S+ 0 0 1 1,-0.3 211,-0.2 211,-0.1 208,-0.1 -0.345 99.1 12.9 -62.1 137.8 35.7 36.5 31.0 22 82 A T T 3 S+ 0 0 52 209,-2.6 -1,-0.3 206,-1.0 210,-0.2 0.310 100.5 131.2 74.7 -2.1 38.0 34.9 33.7 23 83 A S < - 0 0 6 -3,-1.7 210,-2.6 208,-0.3 2,-0.4 -0.439 48.4-151.7 -81.2 153.9 34.9 34.0 35.7 24 84 A I E +b 233 0B 54 7,-0.3 2,-0.3 208,-0.2 210,-0.2 -0.998 28.3 168.4-121.9 126.9 34.1 30.6 37.2 25 85 A Y E -b 234 0B 1 208,-1.9 210,-4.2 -2,-0.4 2,-0.2 -0.799 30.3-123.5-130.2 168.8 30.4 29.9 37.5 26 86 A D > - 0 0 2 4,-1.0 3,-2.1 -2,-0.3 210,-0.1 -0.505 57.7 -70.0-100.5-176.1 27.9 27.1 38.2 27 87 A G T 3 S+ 0 0 0 208,-0.4 224,-0.4 1,-0.3 223,-0.1 0.491 133.3 38.4 -53.0 -11.4 25.0 26.0 35.9 28 88 A I T 3 S- 0 0 28 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.007 119.2 -97.3-134.0 28.4 23.0 29.2 36.5 29 89 A Q < + 0 0 7 -3,-2.1 -14,-0.1 1,-0.2 -2,-0.1 0.686 67.4 147.8 68.1 27.8 25.7 31.9 36.6 30 90 A R - 0 0 18 2,-0.1 -4,-1.0 1,-0.1 -1,-0.2 -0.825 57.8-113.9 -90.6 134.8 26.4 32.4 40.3 31 91 A P S S- 0 0 52 0, 0.0 -7,-0.3 0, 0.0 -1,-0.1 0.256 87.1 -11.7 -61.4 4.4 30.1 33.4 41.0 32 92 A L S S- 0 0 96 1,-0.2 2,-0.2 -2,-0.2 203,-0.2 -0.039 93.4 -46.1-152.4 -81.0 31.2 30.2 42.9 33 93 A E + 0 0 110 1,-0.2 -1,-0.2 -7,-0.1 -7,-0.1 -0.609 66.8 39.9-148.4-169.8 29.2 27.3 44.5 34 94 A V + 0 0 87 -2,-0.2 2,-0.3 205,-0.1 -1,-0.2 0.497 45.5 127.7 4.2 99.2 26.5 25.4 46.5 35 95 A I - 0 0 50 12,-0.0 2,-0.5 2,-0.0 12,-0.1 -0.882 51.4-118.8-149.8 149.0 22.7 26.3 46.6 36 96 A R + 0 0 195 -2,-0.3 2,-0.3 204,-0.1 204,-0.0 -0.753 33.0 174.0 -97.4 124.8 19.8 23.9 45.9 37 97 A E - 0 0 8 -2,-0.5 2,-0.4 7,-0.1 206,-0.4 -0.788 20.4-139.9-119.3 160.3 17.3 24.4 42.9 38 98 A K - 0 0 155 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.989 15.3-145.3-131.0 131.4 14.5 22.2 41.5 39 99 A T + 0 0 77 -2,-0.4 2,-0.3 5,-0.1 5,-0.1 -0.482 26.0 150.8 -94.4 154.3 13.7 21.8 37.8 40 100 A G - 0 0 22 3,-0.3 -2,-0.0 -2,-0.2 0, 0.0 -0.957 60.9 -94.4-173.2 160.2 10.4 21.4 36.0 41 101 A D S S+ 0 0 33 -2,-0.3 -32,-0.1 1,-0.1 -34,-0.1 0.315 123.5 34.2 -58.1 11.2 8.3 21.9 32.8 42 102 A F S S- 0 0 108 1,-0.4 2,-0.2 -34,-0.2 -37,-0.1 0.573 115.5 -25.8-130.7 -80.9 7.2 25.1 34.7 43 103 A I - 0 0 78 -35,-0.1 -1,-0.4 -33,-0.1 -3,-0.3 -0.566 38.7-154.3-134.9-171.2 9.6 27.1 37.0 44 104 A A - 0 0 24 -2,-0.2 2,-0.3 -5,-0.1 -5,-0.1 -0.929 12.4-143.1-167.2 160.0 12.7 27.0 39.3 45 105 A R + 0 0 157 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.1 -0.921 19.6 159.5-134.5 159.5 14.1 29.0 42.3 46 106 A G - 0 0 28 -2,-0.3 -10,-0.1 -9,-0.1 -1,-0.0 -0.272 18.9-150.0-138.0-138.4 17.4 30.3 43.9 47 107 A V + 0 0 85 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.122 52.3 10.2-166.5 -79.6 18.5 33.0 46.4 48 108 A T + 0 0 116 2,-0.0 -18,-0.0 -47,-0.0 0, 0.0 -0.979 65.5 87.1-142.0 128.7 21.8 35.1 46.6 49 109 A A - 0 0 57 -2,-0.4 2,-0.5 -19,-0.0 -2,-0.1 -0.246 55.5-120.6 151.8 123.8 25.0 35.9 44.6 50 110 A P - 0 0 91 0, 0.0 -21,-0.0 0, 0.0 -20,-0.0 -0.690 13.7-157.2 -91.0 121.7 25.7 38.6 41.8 51 111 A A S S+ 0 0 11 -2,-0.5 -22,-0.0 1,-0.1 -21,-0.0 0.907 81.1 27.7 -61.5 -55.4 26.8 37.4 38.4 52 112 A L S S- 0 0 0 -36,-0.0 -1,-0.1 -22,-0.0 -33,-0.1 -0.950 95.8-109.6-111.0 129.2 28.7 40.4 37.0 53 113 A P - 0 0 15 0, 0.0 57,-0.4 0, 0.0 -2,-0.1 -0.350 22.2-166.0 -63.7 133.4 30.3 42.8 39.6 54 114 A R S S+ 0 0 64 1,-0.1 57,-0.3 55,-0.1 55,-0.0 0.607 84.0 61.9 -91.7 -14.6 28.6 46.2 40.0 55 115 A D S S+ 0 0 116 54,-0.1 -1,-0.1 55,-0.1 2,-0.1 0.761 82.1 94.4 -82.0 -28.2 31.6 47.7 41.9 56 116 A K S S- 0 0 93 1,-0.1 2,-0.5 52,-0.0 54,-0.4 -0.405 70.6-132.8 -74.0 142.9 34.2 47.4 39.1 57 117 A K - 0 0 142 52,-0.1 2,-0.4 -2,-0.1 52,-0.2 -0.846 19.8-162.4-102.4 124.5 34.9 50.3 36.7 58 118 A W E -K 108 0C 35 50,-3.7 50,-2.4 -2,-0.5 2,-0.6 -0.849 21.1-122.2-111.1 136.5 35.0 49.7 33.0 59 119 A H E -K 107 0C 61 -2,-0.4 2,-0.6 21,-0.3 48,-0.2 -0.657 29.3-160.6 -76.0 119.0 36.5 51.9 30.3 60 120 A F E -K 106 0C 0 46,-2.8 46,-1.1 -2,-0.6 19,-0.2 -0.917 8.2-167.6-105.7 114.5 33.8 52.7 27.7 61 121 A I E -L 78 0D 45 17,-2.8 17,-2.3 -2,-0.6 43,-0.1 -0.905 24.9-130.0 -98.5 115.3 34.8 53.9 24.3 62 122 A P E +L 77 0D 40 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.336 27.0 178.5 -64.6 143.5 31.7 55.3 22.4 63 123 A K + 0 0 110 13,-3.7 2,-0.3 1,-0.1 14,-0.2 0.337 63.2 50.9-124.8 1.5 31.2 53.9 18.9 64 124 A A - 0 0 18 12,-0.9 2,-0.2 4,-0.0 -1,-0.1 -0.961 69.1-138.8-139.2 153.7 28.0 55.7 18.0 65 125 A K > - 0 0 147 -2,-0.3 3,-2.0 1,-0.1 34,-0.2 -0.729 36.3 -82.5-112.5 162.2 26.8 59.3 18.1 66 126 A V T 3 S+ 0 0 91 1,-0.3 34,-0.2 -2,-0.2 3,-0.1 -0.424 118.5 34.8 -56.3 129.5 23.5 61.1 19.0 67 127 A G T 3 S+ 0 0 39 32,-3.4 2,-0.3 1,-0.3 -1,-0.3 0.325 85.2 134.3 100.8 -5.5 21.3 60.9 16.0 68 128 A D < - 0 0 48 -3,-2.0 31,-2.6 31,-0.2 2,-0.4 -0.587 53.8-131.4 -77.9 132.3 22.4 57.4 14.8 69 129 A K E -N 98 0E 141 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.705 33.4-174.0 -78.1 135.6 19.7 54.9 13.9 70 130 A V E -N 97 0E 8 27,-2.8 27,-2.1 -2,-0.4 2,-0.3 -0.947 15.7-168.3-134.2 152.5 20.4 51.5 15.6 71 131 A V > - 0 0 53 -2,-0.3 3,-2.2 25,-0.2 20,-0.3 -0.812 49.3 -60.9-125.8 171.1 19.0 48.0 15.6 72 132 A G T 3 S+ 0 0 9 -2,-0.3 -1,-0.1 1,-0.2 243,-0.1 -0.252 124.5 21.2 -46.7 136.6 19.4 44.9 17.8 73 133 A G T 3 S+ 0 0 7 18,-3.5 -1,-0.2 1,-0.3 240,-0.0 0.271 85.9 142.4 84.9 -11.2 23.1 43.8 17.8 74 134 A D < - 0 0 12 -3,-2.2 17,-2.5 18,-0.1 2,-0.7 -0.376 54.9-121.5 -62.2 143.8 24.4 47.2 16.7 75 135 A I E + M 0 90D 38 15,-0.2 15,-0.2 1,-0.2 -1,-0.1 -0.786 36.5 170.1 -97.4 113.1 27.7 48.0 18.4 76 136 A I E - 0 0 1 13,-2.5 -13,-3.7 -2,-0.7 -12,-0.9 0.701 63.6 -3.7-100.3 -20.7 27.4 51.3 20.4 77 137 A G E -LM 62 89D 0 12,-1.2 12,-2.2 -15,-0.3 2,-0.4 -0.952 59.5-121.2-154.6 176.9 30.7 51.1 22.3 78 138 A E E -LM 61 88D 44 -17,-2.3 -17,-2.8 -2,-0.3 10,-0.2 -0.992 14.3-167.2-124.8 137.8 33.9 49.1 23.1 79 139 A V E - M 0 87D 0 8,-3.2 8,-3.3 -2,-0.4 2,-0.9 -0.933 19.9-140.0-123.8 107.9 35.1 47.9 26.5 80 140 A P E + M 0 86D 64 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.531 33.0 171.1 -63.6 102.0 38.7 46.6 26.8 81 141 A E - 0 0 16 4,-1.5 2,-0.3 -2,-0.9 5,-0.2 0.791 57.9 -4.5 -94.4 -37.4 37.9 43.7 29.2 82 142 A T S S- 0 0 30 3,-1.4 -1,-0.1 147,-0.1 5,-0.1 -0.793 84.1 -92.1-137.6-177.6 41.2 41.6 29.4 83 143 A S S S+ 0 0 78 -2,-0.3 3,-0.1 1,-0.1 142,-0.1 0.589 126.0 38.6 -76.9 -10.1 44.5 42.0 27.5 84 144 A I S S+ 0 0 46 145,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.852 110.7 52.8 -98.9 -53.1 43.1 39.6 24.9 85 145 A I - 0 0 5 144,-0.6 -4,-1.5 -5,-0.0 -3,-1.4 -0.781 57.5-155.5-104.3 120.9 39.4 40.4 24.4 86 146 A V E -M 80 0D 48 -2,-0.5 2,-0.4 -6,-0.2 -3,-0.0 -0.815 26.6-134.5 -77.4 123.0 37.7 43.7 23.6 87 147 A H E -M 79 0D 0 -8,-3.3 -8,-3.2 -2,-0.6 2,-0.6 -0.668 13.0-143.6 -79.2 131.5 34.1 43.5 24.8 88 148 A K E -M 78 0D 38 -2,-0.4 2,-0.7 -10,-0.2 -10,-0.2 -0.887 8.0-142.8 -99.9 118.4 31.6 44.8 22.2 89 149 A I E -M 77 0D 2 -12,-2.2 -13,-2.5 -2,-0.6 -12,-1.2 -0.746 28.1-171.0 -83.9 115.0 28.7 46.7 23.8 90 150 A M E -M 75 0D 9 -2,-0.7 -15,-0.2 -15,-0.2 -16,-0.1 -0.822 30.3-110.6-112.7 147.6 25.5 45.9 21.8 91 151 A V - 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