==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-10 3ND8 . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII, PYROCOCCUS HORI . AUTHOR A.KUMAR,G.GRUBER . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.6 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 . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 28.4 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 0 2 1 1 1 2 1 1 0 0 0 0 1 0 0 0 2 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 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 . 3 2 2 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 63 A E 0 0 128 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.8 38.0 9.2 -40.6 2 64 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.121 360.0-145.1 -75.0-179.5 35.1 6.8 -39.6 3 65 A V - 0 0 37 2,-0.1 2,-0.1 -2,-0.0 4,-0.1 -0.921 8.4-129.9-159.8 125.9 34.1 5.7 -36.0 4 66 A V S S+ 0 0 81 -2,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.351 75.4 11.6 -73.9 154.8 32.8 2.5 -34.5 5 67 A G S S- 0 0 69 -2,-0.1 -2,-0.1 3,-0.1 2,-0.1 -0.035 117.2 -25.3 63.4-177.8 29.7 2.5 -32.3 6 68 A T S S+ 0 0 111 2,-0.1 34,-0.2 35,-0.0 35,-0.1 -0.377 111.2 55.1 -68.7 142.6 27.5 5.6 -31.9 7 69 A G - 0 0 33 33,-2.4 34,-0.2 1,-0.1 32,-0.1 0.649 61.4-144.5 95.3 102.7 29.1 9.0 -32.7 8 70 A A - 0 0 22 32,-0.6 33,-0.1 1,-0.1 -1,-0.1 -0.013 66.7 -91.1 -76.9 29.2 30.9 9.7 -36.0 9 71 A S - 0 0 92 1,-0.2 2,-0.2 -3,-0.1 32,-0.1 0.754 54.1-163.8 63.0 37.8 33.3 11.7 -33.6 10 72 A L + 0 0 45 122,-0.1 123,-1.4 1,-0.0 124,-0.5 -0.257 24.1 166.1 -54.7 110.9 31.4 15.1 -33.9 11 73 A S E -A 132 0A 50 121,-0.3 2,-0.3 -2,-0.2 238,-0.1 -0.836 32.5-142.6-134.7 167.4 33.9 17.6 -32.6 12 74 A V E -A 131 0A 0 119,-2.6 119,-1.9 -2,-0.3 2,-0.4 -0.865 20.0-126.5-124.8 154.3 34.8 21.3 -32.2 13 75 A E E -A 130 0A 29 -2,-0.3 2,-0.5 117,-0.2 117,-0.2 -0.874 22.4-164.4-103.7 137.8 38.2 23.1 -32.4 14 76 A L E +A 129 0A 0 115,-2.9 115,-1.5 -2,-0.4 3,-0.0 -0.945 39.9 79.1-129.3 113.8 39.1 25.4 -29.5 15 77 A G S > S- 0 0 0 -2,-0.5 3,-0.7 113,-0.2 113,-0.2 -0.959 78.4 -9.9 172.4-176.1 41.9 28.0 -29.7 16 78 A P T 3 S+ 0 0 1 0, 0.0 92,-0.1 0, 0.0 40,-0.0 0.012 115.4 33.2 -46.0 138.5 42.7 31.4 -31.0 17 79 A R T 3 S+ 0 0 86 33,-0.1 4,-0.1 -3,-0.0 -3,-0.0 0.505 73.5 116.5 89.0 11.6 40.2 33.1 -33.3 18 80 A L X + 0 0 0 -3,-0.7 3,-1.0 2,-0.1 2,-0.1 0.855 63.3 83.8 -66.0 -34.2 37.1 31.6 -31.9 19 81 A L T 3 S+ 0 0 1 1,-0.2 211,-0.2 211,-0.1 208,-0.1 -0.437 96.3 16.2 -74.6 145.4 36.3 35.2 -31.1 20 82 A T T 3 S+ 0 0 46 209,-2.6 -1,-0.2 206,-1.0 210,-0.2 0.223 99.2 131.5 76.2 -9.5 34.6 37.4 -33.8 21 83 A S < - 0 0 6 -3,-1.0 210,-2.5 208,-0.2 2,-0.4 -0.352 47.2-152.6 -77.7 151.3 33.8 34.2 -35.7 22 84 A I E +b 231 0B 43 208,-0.2 8,-1.3 -3,-0.1 2,-0.3 -0.994 26.3 165.4-122.6 124.2 30.4 33.2 -37.3 23 85 A Y E -bC 232 29B 3 208,-1.8 210,-3.2 -2,-0.4 2,-0.1 -0.868 34.7-118.4-129.8 162.9 29.7 29.5 -37.6 24 86 A D > - 0 0 6 4,-1.7 3,-2.1 -2,-0.3 210,-0.1 -0.410 57.7 -79.6 -83.5 178.3 26.9 27.0 -38.3 25 87 A G T 3 S+ 0 0 0 208,-0.4 224,-0.4 1,-0.3 223,-0.1 0.458 132.2 53.0 -60.0 -0.7 25.9 24.4 -35.6 26 88 A I T 3 S- 0 0 40 2,-0.2 -1,-0.3 223,-0.1 -15,-0.1 0.056 118.5-105.7-125.4 20.8 28.8 22.3 -36.7 27 89 A Q S < S+ 0 0 10 -3,-2.1 -2,-0.1 1,-0.2 -14,-0.1 0.787 70.6 139.3 53.7 38.6 31.6 25.0 -36.4 28 90 A R - 0 0 11 -4,-0.1 -4,-1.7 4,-0.1 4,-0.3 -0.937 58.4 -98.4-103.9 136.7 32.2 25.7 -40.1 29 91 A P B -C 23 0B 36 0, 0.0 3,-0.2 0, 0.0 -6,-0.2 0.118 65.0 -41.7 -52.5 164.6 32.7 29.5 -40.9 30 92 A L S S+ 0 0 95 -8,-1.3 -7,-0.1 1,-0.2 -6,-0.0 0.204 120.1 2.0 -35.9 129.8 30.0 31.9 -42.2 31 93 A E S S+ 0 0 175 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.896 88.4 152.3 60.2 50.4 27.6 30.7 -45.0 32 94 A V - 0 0 28 -4,-0.3 -1,-0.2 -3,-0.2 -4,-0.1 -0.805 32.8-103.3-118.2 161.0 28.8 27.1 -45.4 33 95 A I - 0 0 91 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.564 38.7 -35.5 -91.7-151.5 26.9 23.9 -46.5 34 96 A R + 0 0 116 204,-0.1 2,-0.2 207,-0.0 -1,-0.1 -0.474 35.8 150.6-102.6 138.5 25.2 20.6 -45.8 35 97 A E - 0 0 16 -2,-0.2 206,-0.4 9,-0.1 2,-0.3 -0.805 25.7-137.5-136.6 170.3 25.3 17.6 -43.4 36 98 A K - 0 0 171 -2,-0.2 7,-0.4 205,-0.1 5,-0.0 -0.999 13.3-149.8-147.8 148.3 22.8 15.0 -41.9 37 99 A T + 0 0 38 -2,-0.3 4,-0.2 5,-0.1 2,-0.2 0.381 19.9 151.0-100.0-150.7 22.2 13.4 -38.5 38 100 A G - 0 0 24 2,-0.1 239,-0.0 203,-0.1 -2,-0.0 -0.584 66.2 -66.4 134.7 165.2 20.9 10.3 -36.7 39 101 A D S S+ 0 0 114 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.368 128.5 23.7 -60.8 9.4 21.4 8.2 -33.5 40 102 A F S S+ 0 0 99 1,-0.3 -33,-2.4 -34,-0.2 -32,-0.6 0.637 110.6 1.2-135.0 -71.1 24.8 7.5 -34.9 41 103 A I - 0 0 84 -4,-0.2 -1,-0.3 -34,-0.2 2,-0.3 -0.639 36.5-164.0-142.0 170.0 26.8 9.5 -37.5 42 104 A A - 0 0 21 -2,-0.2 2,-0.2 -34,-0.1 -5,-0.1 -0.947 17.0-129.4-164.3 155.6 27.2 12.5 -39.7 43 105 A R + 0 0 179 -7,-0.4 -7,-0.1 -2,-0.3 2,-0.1 -0.502 26.0 155.5-105.3 171.0 29.3 13.7 -42.7 44 106 A G + 0 0 49 -2,-0.2 2,-0.2 -9,-0.1 -9,-0.1 -0.298 12.9 161.3 164.4 113.0 31.4 16.8 -43.6 45 107 A V + 0 0 136 -2,-0.1 -1,-0.0 1,-0.0 -2,-0.0 -0.689 54.2 88.0-134.8 83.3 34.3 17.8 -45.9 46 108 A T S S+ 0 0 72 1,-0.3 -2,-0.0 -2,-0.2 -18,-0.0 0.589 73.1 4.9-140.0 -72.0 34.3 21.6 -46.4 47 109 A A - 0 0 41 -18,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.956 57.9-113.9-138.8 151.7 35.9 24.4 -44.3 48 110 A P - 0 0 86 0, 0.0 -20,-0.1 0, 0.0 -21,-0.0 -0.686 14.3-143.4 -93.2 138.8 38.3 24.8 -41.3 49 111 A A S S+ 0 0 7 -2,-0.3 -22,-0.0 1,-0.1 -21,-0.0 0.850 86.9 32.5 -67.5 -42.0 37.1 26.4 -37.9 50 112 A L S S- 0 0 0 -21,-0.0 -1,-0.1 -36,-0.0 2,-0.1 -0.978 93.5-110.3-120.4 129.0 40.3 28.3 -37.0 51 113 A P - 0 0 38 0, 0.0 57,-0.4 0, 0.0 3,-0.3 -0.376 19.2-159.9 -61.8 128.9 42.6 29.8 -39.7 52 114 A R S S+ 0 0 51 1,-0.2 57,-0.3 -2,-0.1 55,-0.0 0.551 88.1 60.0 -84.8 -8.1 45.9 28.0 -39.9 53 115 A D S S+ 0 0 155 54,-0.1 2,-0.2 55,-0.1 -1,-0.2 0.631 78.9 104.1 -92.8 -20.0 47.6 31.0 -41.6 54 116 A K - 0 0 88 -3,-0.3 2,-0.5 1,-0.1 54,-0.4 -0.465 65.3-138.9 -67.9 131.1 47.0 33.5 -38.8 55 117 A K - 0 0 138 -2,-0.2 2,-0.4 52,-0.1 52,-0.2 -0.825 20.8-166.0 -94.9 125.1 50.1 34.4 -36.7 56 118 A W E -L 106 0C 9 50,-2.9 50,-2.5 -2,-0.5 2,-0.7 -0.863 24.1-119.0-114.3 141.5 49.5 34.7 -33.0 57 119 A H E -L 105 0C 62 -2,-0.4 2,-0.5 21,-0.3 48,-0.2 -0.693 32.3-162.6 -77.6 115.5 51.6 36.2 -30.3 58 120 A F E -L 104 0C 0 46,-3.2 46,-1.8 -2,-0.7 19,-0.2 -0.889 7.9-167.7-103.8 123.7 52.4 33.4 -27.8 59 121 A I E -M 76 0D 34 17,-2.6 17,-2.2 -2,-0.5 44,-0.1 -0.935 22.2-132.3-110.3 111.9 53.7 34.3 -24.4 60 122 A P E +M 75 0D 40 0, 0.0 15,-0.3 0, 0.0 43,-0.1 -0.318 26.0 177.2 -65.3 141.6 55.0 31.2 -22.5 61 123 A K + 0 0 112 13,-2.8 14,-0.2 2,-0.0 2,-0.2 0.641 62.9 51.0-113.2 -25.1 53.8 30.9 -18.9 62 124 A A S S- 0 0 14 12,-1.4 2,-0.3 4,-0.0 12,-0.1 -0.633 70.1-143.1-110.6 168.3 55.4 27.6 -17.9 63 125 A K > - 0 0 139 -2,-0.2 3,-2.5 -3,-0.1 34,-0.3 -0.895 34.6 -76.0-132.0 160.7 59.0 26.4 -18.1 64 126 A V T 3 S+ 0 0 91 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.304 119.6 30.2 -49.8 127.7 61.0 23.2 -18.8 65 127 A G T 3 S+ 0 0 40 32,-2.8 -1,-0.3 1,-0.3 33,-0.1 0.042 85.9 129.9 104.2 -25.5 60.7 21.1 -15.6 66 128 A D < - 0 0 48 -3,-2.5 31,-2.5 31,-0.1 -1,-0.3 -0.369 56.0-130.7 -61.8 136.0 57.2 22.2 -14.5 67 129 A K E -O 96 0E 177 29,-0.2 2,-0.3 -3,-0.1 29,-0.2 -0.725 33.4-176.4 -82.1 139.9 54.7 19.5 -13.6 68 130 A V E -O 95 0E 9 27,-2.6 27,-2.2 -2,-0.3 2,-0.3 -0.946 16.3-166.1-139.0 159.3 51.3 20.1 -15.3 69 131 A V > - 0 0 47 -2,-0.3 3,-2.1 25,-0.2 20,-0.3 -0.813 50.2 -61.0-133.6 171.9 47.8 18.6 -15.5 70 132 A G T 3 S+ 0 0 7 -2,-0.3 231,-0.2 1,-0.2 3,-0.1 -0.343 124.7 24.1 -55.9 134.7 44.9 19.0 -17.8 71 133 A G T 3 S+ 0 0 6 18,-3.1 -1,-0.2 1,-0.3 228,-0.0 0.130 85.6 140.2 97.8 -19.7 43.7 22.6 -17.7 72 134 A D < - 0 0 14 -3,-2.1 17,-2.1 18,-0.1 2,-0.7 -0.239 57.0-117.7 -59.6 146.3 47.0 24.1 -16.6 73 135 A I E + N 0 88D 41 15,-0.2 15,-0.2 1,-0.2 -1,-0.1 -0.775 39.7 166.2 -96.4 112.7 47.9 27.3 -18.2 74 136 A I E - 0 0 2 13,-2.6 -13,-2.8 -2,-0.7 -12,-1.4 0.559 63.4 -4.1-105.1 -9.2 51.1 27.0 -20.2 75 137 A G E -MN 60 87D 0 12,-1.2 12,-2.5 -15,-0.3 2,-0.4 -0.985 57.4-124.6-169.3 171.7 50.8 30.3 -22.2 76 138 A E E -MN 59 86D 48 -17,-2.2 -17,-2.6 -2,-0.3 10,-0.2 -0.991 12.8-170.2-129.3 136.5 48.8 33.4 -23.1 77 139 A V E - N 0 85D 0 8,-3.0 8,-3.8 -2,-0.4 2,-0.9 -0.961 23.4-136.5-126.3 112.1 47.7 34.7 -26.6 78 140 A P E + N 0 84D 65 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.571 32.1 175.9 -66.0 104.6 46.3 38.2 -26.8 79 141 A E - 0 0 16 4,-1.6 2,-0.2 -2,-0.9 5,-0.2 0.891 57.1 -4.0 -89.1 -46.8 43.4 37.4 -29.1 80 142 A T S S- 0 0 29 3,-1.6 5,-0.1 147,-0.1 -1,-0.1 -0.729 85.0 -90.4-128.8-175.3 41.4 40.6 -29.4 81 143 A S S S+ 0 0 63 -2,-0.2 3,-0.1 1,-0.2 147,-0.1 0.622 127.7 37.9 -73.7 -10.5 41.8 44.0 -27.8 82 144 A I S S+ 0 0 41 145,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.814 111.1 53.9-102.2 -44.9 39.4 42.7 -25.0 83 145 A I - 0 0 4 144,-0.5 -4,-1.6 -5,-0.0 -3,-1.6 -0.844 56.5-154.4-114.6 129.4 40.3 39.0 -24.4 84 146 A V E -N 78 0D 52 -2,-0.5 2,-0.4 -6,-0.2 -3,-0.0 -0.846 26.0-135.6 -90.4 124.4 43.5 37.3 -23.6 85 147 A H E -N 77 0D 0 -8,-3.8 -8,-3.0 -2,-0.5 2,-0.6 -0.705 13.7-143.4 -83.7 129.6 43.3 33.6 -24.8 86 148 A K E -N 76 0D 47 -2,-0.4 2,-0.7 -10,-0.2 -10,-0.2 -0.860 7.4-142.1 -98.6 119.2 44.7 31.2 -22.2 87 149 A I E -N 75 0D 2 -12,-2.5 -13,-2.6 -2,-0.6 -12,-1.2 -0.727 27.9-170.8 -83.0 116.3 46.5 28.2 -23.7 88 150 A M E -N 73 0D 7 -2,-0.7 -15,-0.2 -15,-0.2 -16,-0.1 -0.806 29.8-109.5-113.1 146.9 45.7 25.2 -21.6 89 151 A V - 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