==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-11 3SDZ . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR V.S.TADWAL,M.S.S.MANIMEKALAI,A.M.BALAKRISHNA,G.GRUBER . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 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 . 50 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 25.4 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 5 2 0 2 0 0 2 0 0 2 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 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 . 7 4 2 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 2 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 25 A M 0 0 191 0, 0.0 313,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.2 13.1 -7.4 17.9 2 26 A Y - 0 0 173 1,-0.1 3,-0.1 8,-0.0 10,-0.0 -0.131 360.0-137.5 -63.4 157.4 15.9 -9.7 19.0 3 27 A E S S- 0 0 91 1,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.450 73.1 -39.4 -77.2-132.1 16.2 -13.4 18.1 4 28 A V > - 0 0 76 1,-0.2 3,-0.6 3,-0.2 -1,-0.3 -0.912 69.6-144.7 -86.6 126.3 17.2 -15.6 20.9 5 29 A V T 3 S+ 0 0 70 -2,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.990 82.2 27.6 -58.4 -71.2 19.8 -13.4 22.6 6 30 A R T 3 S+ 0 0 220 -3,-0.1 2,-0.4 19,-0.0 -1,-0.2 -0.282 94.6 97.9-101.8 49.2 22.4 -15.7 24.0 7 31 A V S < S- 0 0 57 -3,-0.6 -3,-0.2 -2,-0.6 16,-0.1 -1.000 85.3 -60.3-128.0 133.0 22.4 -18.8 21.7 8 32 A G S S- 0 0 20 -2,-0.4 15,-0.7 74,-0.1 16,-0.4 0.187 96.8 -9.3 44.5-144.8 24.7 -19.5 18.7 9 33 A E - 0 0 12 13,-0.2 270,-0.4 14,-0.2 2,-0.3 -0.432 66.1-163.6 -82.9 161.8 25.0 -17.2 15.7 10 34 A L - 0 0 19 269,-0.1 2,-0.9 -2,-0.1 12,-0.8 -0.997 27.7-112.7-151.3 142.4 22.6 -14.2 15.1 11 35 A G B -A 21 0A 22 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.654 48.3-126.9 -77.4 105.4 21.4 -11.9 12.3 12 36 A L - 0 0 15 8,-3.4 8,-0.1 -2,-0.9 -1,-0.1 -0.350 7.3-142.3 -73.7 125.6 22.7 -8.5 13.4 13 37 A I + 0 0 142 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.888 38.4 177.6 -37.6 -75.5 20.6 -5.3 13.8 14 38 A G - 0 0 27 1,-0.1 4,-0.1 2,-0.1 -1,-0.1 -0.861 35.8-103.8 114.9-140.0 23.1 -2.7 12.6 15 39 A E S S- 0 0 137 2,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.128 101.9 -14.9-154.5 -59.2 22.9 1.1 12.0 16 40 A I S S+ 0 0 144 1,-0.1 2,-0.5 17,-0.0 -2,-0.1 0.304 129.8 75.4-121.9 -9.8 22.6 1.9 8.3 17 41 A I - 0 0 42 1,-0.1 -2,-0.4 14,-0.1 -1,-0.1 -0.928 68.0-157.6-113.7 123.9 23.8 -1.7 7.4 18 42 A R + 0 0 146 -2,-0.5 2,-0.5 -4,-0.1 -1,-0.1 0.946 59.1 37.6 -75.7 -60.6 21.3 -4.6 7.8 19 43 A L + 0 0 80 -8,-0.0 12,-0.8 -5,-0.0 2,-0.3 -0.854 53.3 142.1-111.6 129.4 22.8 -8.1 8.2 20 44 A E - 0 0 9 -2,-0.5 -8,-3.4 10,-0.2 2,-0.4 -0.948 39.2-116.9-145.3 165.4 25.9 -9.4 9.9 21 45 A G B -AB 11 28A 9 7,-1.4 7,-3.7 -2,-0.3 -10,-0.2 -0.861 23.0-174.6-113.6 145.2 26.7 -12.5 11.9 22 46 A D - 0 0 18 -12,-0.8 -13,-0.2 -2,-0.4 -1,-0.2 0.806 13.9-177.4 -97.1 -95.4 27.7 -12.9 15.6 23 47 A K S S- 0 0 69 -15,-0.7 3,-0.2 1,-0.3 -14,-0.2 0.581 84.5 -12.7 69.8 118.0 28.8 -15.9 17.6 24 48 A A S S- 0 0 54 -16,-0.4 -1,-0.3 1,-0.2 -17,-0.1 -0.415 120.0 -54.3 61.2-129.2 29.3 -14.6 21.2 25 49 A V S S+ 0 0 91 -2,-0.2 2,-0.5 -3,-0.1 18,-0.3 0.565 115.2 97.0-114.8 -24.0 29.3 -10.8 21.3 26 50 A I - 0 0 109 -3,-0.2 2,-0.3 15,-0.1 15,-0.1 -0.562 66.8-151.3 -68.3 115.4 32.1 -10.5 18.6 27 51 A Q - 0 0 15 -2,-0.5 2,-0.3 -3,-0.0 -5,-0.3 -0.673 5.3-147.5 -98.7 140.4 30.5 -9.8 15.2 28 52 A V B -B 21 0A 35 -7,-3.7 -7,-1.4 -2,-0.3 19,-0.2 -0.741 28.4 -99.3-103.3 160.4 31.8 -10.7 11.7 29 53 A Y B +c 47 0B 38 17,-3.0 19,-0.9 -2,-0.3 3,-0.1 -0.343 47.1 148.1 -81.0 147.0 31.2 -8.8 8.5 30 54 A E S S+ 0 0 90 1,-0.4 2,-0.6 -11,-0.2 -1,-0.2 0.243 89.7 32.0-120.9 -64.2 28.8 -9.0 5.6 31 55 A E S S- 0 0 46 -12,-0.8 -1,-0.4 1,-0.0 2,-0.2 -0.823 101.6-111.5 -87.0 120.0 28.5 -5.3 4.9 32 56 A T - 0 0 120 -2,-0.6 13,-0.1 -3,-0.1 -1,-0.0 -0.327 46.7-174.3 -53.5 116.1 31.8 -3.5 5.7 33 57 A A - 0 0 35 11,-0.2 -1,-0.1 -2,-0.2 10,-0.0 0.977 31.5-118.9 -87.4 -88.2 30.8 -1.4 8.8 34 58 A G - 0 0 59 0, 0.0 9,-0.1 0, 0.0 -2,-0.0 0.439 58.3 -96.1 122.4 71.6 32.8 1.3 10.7 35 59 A V S S+ 0 0 46 7,-0.1 7,-0.1 1,-0.1 8,-0.1 0.648 88.1 24.1 -42.1 168.9 32.9 -0.3 14.2 36 60 A R + 0 0 183 5,-0.9 6,-0.1 1,-0.1 -1,-0.1 0.957 54.5 158.0 35.1 76.5 30.8 0.1 17.5 37 61 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.349 67.1 -28.2 -93.5 5.5 27.4 1.4 16.2 38 62 A G S > S+ 0 0 35 3,-0.3 3,-1.4 1,-0.1 -23,-0.0 -0.968 108.5 21.5 177.4-165.8 25.6 0.2 19.4 39 63 A E T 3 S- 0 0 139 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.046 115.5 -54.7 -28.1 123.4 25.3 -2.2 22.4 40 64 A P T 3 S+ 0 0 102 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.420 85.9 150.2 -26.9 70.9 28.9 -3.6 22.8 41 65 A V < + 0 0 31 -3,-1.4 -5,-0.9 1,-0.1 -3,-0.3 -0.888 18.0 177.7-104.1 99.5 29.2 -4.8 19.2 42 66 A V - 0 0 64 -2,-0.7 -1,-0.1 -17,-0.3 -16,-0.1 0.668 20.2-165.5 -83.9 -22.4 33.0 -4.6 18.6 43 67 A G - 0 0 20 -18,-0.3 2,-0.3 -8,-0.1 -15,-0.1 0.272 5.3-139.1 65.1 175.4 33.1 -6.0 15.0 44 68 A T - 0 0 74 2,-0.1 -11,-0.2 -17,-0.1 -15,-0.1 -0.966 27.4-101.2-161.8 174.9 36.0 -7.2 12.9 45 69 A G S S+ 0 0 79 -2,-0.3 2,-0.4 -17,-0.1 -17,-0.1 0.016 86.0 102.6 -92.7 29.7 37.6 -7.3 9.3 46 70 A A - 0 0 42 -19,-0.2 -17,-3.0 3,-0.0 2,-0.1 -0.907 59.1-143.5-127.2 137.0 36.3 -10.8 8.6 47 71 A S B -c 29 0B 50 -2,-0.4 2,-0.8 -19,-0.2 -17,-0.2 -0.496 45.2 -88.1 -86.4 159.0 33.5 -12.3 6.7 48 72 A L S S+ 0 0 28 -19,-0.9 123,-1.2 -2,-0.1 124,-0.4 -0.618 71.5 170.9 -59.3 107.2 31.6 -15.4 7.7 49 73 A S E -D 170 0C 39 -2,-0.8 2,-0.3 121,-0.3 119,-0.0 -0.330 33.0-135.1-116.2-165.9 34.0 -17.9 6.2 50 74 A V E -D 169 0C 0 119,-0.9 119,-1.7 -2,-0.1 2,-0.3 -0.969 21.6-123.2-146.9 146.5 34.7 -21.6 6.0 51 75 A E E -D 168 0C 27 -2,-0.3 2,-0.5 117,-0.2 117,-0.2 -0.767 25.1-164.3 -93.7 144.1 38.1 -23.4 6.2 52 76 A L E +D 167 0C 0 115,-2.5 115,-1.5 -2,-0.3 36,-0.0 -0.946 40.5 78.6-137.0 107.5 39.0 -25.5 3.3 53 77 A G S > S- 0 0 0 -2,-0.5 3,-1.1 113,-0.3 113,-0.2 -0.958 85.3 -22.7 176.3-177.5 41.7 -28.1 3.5 54 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 111,-0.1 -0.353 115.0 55.1 -50.0 116.8 42.6 -31.5 4.8 55 79 A G T 3 S+ 0 0 5 -2,-0.1 4,-0.1 33,-0.1 -3,-0.0 0.135 76.7 94.5 141.0 -15.2 40.2 -32.3 7.6 56 80 A L X + 0 0 0 -3,-1.1 3,-1.7 2,-0.1 235,-0.0 0.905 62.3 85.2 -77.9 -46.9 36.8 -31.8 5.9 57 81 A L T 3 S+ 0 0 3 1,-0.3 211,-0.2 211,-0.1 208,-0.1 -0.294 99.5 15.7 -58.2 142.8 36.0 -35.4 4.8 58 82 A T T 3 S+ 0 0 70 209,-2.4 -1,-0.3 206,-0.9 210,-0.2 0.264 100.9 128.4 71.4 -6.8 34.3 -37.6 7.4 59 83 A S < - 0 0 24 -3,-1.7 210,-2.3 208,-0.3 2,-0.4 -0.391 48.0-152.6 -78.6 155.0 33.5 -34.4 9.4 60 84 A I E +e 269 0D 40 208,-0.2 8,-1.3 -3,-0.1 2,-0.3 -0.994 23.6 170.5-122.7 135.1 30.1 -33.4 10.8 61 85 A Y E -eF 270 67D 2 208,-2.4 210,-3.5 -2,-0.4 2,-0.1 -0.914 33.5-117.7-133.2 160.8 29.4 -29.7 11.2 62 86 A D > - 0 0 0 4,-2.2 3,-1.9 -2,-0.3 210,-0.1 -0.347 61.7 -74.5 -77.3-178.7 26.6 -27.3 12.0 63 87 A G T 3 S+ 0 0 0 208,-0.5 224,-0.5 1,-0.3 225,-0.1 0.424 132.8 45.3 -62.0 -8.0 25.7 -24.7 9.3 64 88 A I T 3 S- 0 0 23 2,-0.1 -1,-0.3 223,-0.1 -15,-0.1 -0.119 124.3 -95.5-125.5 34.5 28.7 -22.5 9.9 65 89 A Q S < S+ 0 0 12 -3,-1.9 -2,-0.1 1,-0.2 -14,-0.1 0.810 70.3 151.4 62.2 34.1 31.2 -25.3 10.1 66 90 A R - 0 0 16 -4,-0.1 -4,-2.2 18,-0.1 -1,-0.2 -0.874 51.5-108.6 -89.6 130.6 31.4 -25.9 13.9 67 91 A P B -F 61 0D 32 0, 0.0 16,-1.7 0, 0.0 -6,-0.2 -0.196 45.1 -92.6 -56.6 145.4 32.3 -29.5 14.8 68 92 A L E -O 82 0E 41 -8,-1.3 2,-0.7 14,-0.2 14,-0.2 -0.356 25.1-147.9 -82.6 141.2 29.5 -31.5 16.3 69 93 A E E -O 81 0E 64 12,-1.1 12,-1.1 1,-0.2 -1,-0.1 -0.894 14.5-153.3-107.0 108.0 28.8 -31.7 20.0 70 94 A V + 0 0 59 -2,-0.7 9,-0.4 10,-0.2 -1,-0.2 0.882 18.5 176.7 -49.6 -75.8 27.3 -35.2 20.7 71 95 A I - 0 0 87 7,-0.1 8,-2.8 9,-0.1 3,-0.2 0.930 31.8-103.9 62.2 111.5 25.1 -35.0 23.9 72 96 A R B -P 78 0F 209 6,-0.2 6,-0.3 1,-0.2 -1,-0.1 -0.358 61.6 -34.3 -82.9 132.6 23.2 -38.1 25.0 73 97 A E S S+ 0 0 115 4,-2.5 -1,-0.2 -2,-0.2 5,-0.1 0.803 73.4 124.7 37.0 87.7 19.5 -39.1 24.7 74 98 A K S S+ 0 0 164 -3,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.516 80.0 31.5-124.0 -69.0 17.0 -36.2 25.1 75 99 A T S S- 0 0 72 3,-0.1 4,-0.1 166,-0.1 167,-0.1 0.831 145.2 -51.0 -60.2 -38.5 14.6 -36.1 22.0 76 100 A G S S- 0 0 27 165,-0.0 166,-0.1 166,-0.0 3,-0.1 0.209 117.5 -20.7-166.3 -38.9 14.9 -39.9 21.7 77 101 A D S S+ 0 0 73 1,-0.3 -4,-2.5 164,-0.3 2,-0.3 0.435 121.5 17.6-154.0 -32.2 18.5 -41.0 21.6 78 102 A F B -P 72 0F 68 -6,-0.3 2,-0.4 -5,-0.1 -1,-0.3 -0.982 48.6-170.5-155.3 137.1 20.9 -38.1 20.7 79 103 A I - 0 0 41 -8,-2.8 2,-0.3 -9,-0.4 163,-0.0 -0.973 15.4-166.3-136.2 125.8 20.8 -34.3 20.5 80 104 A A + 0 0 4 -2,-0.4 2,-0.3 -12,-0.0 195,-0.2 -0.840 11.4 176.8-121.1 147.3 23.6 -32.2 18.9 81 105 A R E -O 69 0E 125 -12,-1.1 -12,-1.1 -2,-0.3 2,-0.4 -0.985 40.3 -93.1-144.7 146.2 24.7 -28.5 18.8 82 106 A G E -O 68 0E 4 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.499 35.4-159.1 -68.6 118.2 27.6 -26.6 17.3 83 107 A V - 0 0 48 -16,-1.7 2,-0.8 -2,-0.4 -21,-0.1 -0.854 25.8-114.3 -96.6 131.3 30.6 -26.2 19.6 84 108 A T + 0 0 77 -2,-0.4 -18,-0.1 -18,-0.1 3,-0.0 -0.498 66.9 118.1 -74.1 104.8 33.0 -23.4 18.8 85 109 A A S S- 0 0 50 -2,-0.8 -2,-0.0 -18,-0.0 0, 0.0 -0.945 72.0 -55.8-156.8 163.2 36.3 -25.1 17.9 86 110 A P - 0 0 74 0, 0.0 4,-0.1 0, 0.0 -21,-0.0 -0.228 39.6-146.6 -48.8 133.4 38.7 -25.4 14.9 87 111 A A S S+ 0 0 9 1,-0.2 -22,-0.0 -21,-0.1 -21,-0.0 0.880 90.5 41.0 -70.0 -44.7 36.9 -26.8 11.8 88 112 A L S S- 0 0 0 -21,-0.0 -1,-0.2 -29,-0.0 -33,-0.1 -0.934 104.5-105.0-106.4 131.6 40.0 -28.6 10.6 89 113 A P - 0 0 46 0, 0.0 57,-0.5 0, 0.0 3,-0.1 -0.297 24.1-160.8 -59.7 129.3 42.0 -30.4 13.3 90 114 A R S S+ 0 0 62 1,-0.2 57,-0.3 55,-0.1 -3,-0.0 0.680 86.6 53.3 -83.8 -16.6 45.3 -28.6 14.1 91 115 A D S S+ 0 0 138 54,-0.1 2,-0.2 55,-0.1 -1,-0.2 0.588 84.0 98.8 -97.8 -17.3 47.0 -31.6 15.7 92 116 A K - 0 0 95 -3,-0.1 54,-0.5 1,-0.0 2,-0.5 -0.532 66.4-135.6 -77.4 143.9 46.6 -34.1 12.9 93 117 A K - 0 0 144 -2,-0.2 2,-0.3 52,-0.1 52,-0.2 -0.888 18.5-161.0-102.1 129.2 49.5 -34.8 10.6 94 118 A W E -Q 144 0G 10 50,-2.8 50,-2.2 -2,-0.5 2,-0.8 -0.793 23.2-118.6-110.8 144.1 48.9 -35.0 6.8 95 119 A H E -Q 143 0G 62 21,-0.4 2,-0.5 -2,-0.3 48,-0.2 -0.742 33.5-162.8 -83.5 113.6 51.1 -36.5 4.2 96 120 A F E -Q 142 0G 0 46,-3.1 46,-1.6 -2,-0.8 19,-0.2 -0.868 7.5-169.4 -96.6 127.5 51.9 -33.6 1.8 97 121 A I E -R 114 0H 41 17,-2.8 17,-1.8 -2,-0.5 43,-0.1 -0.938 21.5-131.7-116.6 110.7 53.3 -34.5 -1.7 98 122 A P E +R 113 0H 39 0, 0.0 15,-0.3 0, 0.0 3,-0.1 -0.201 24.4 179.2 -63.9 154.8 54.7 -31.5 -3.6 99 123 A K + 0 0 118 13,-2.4 2,-0.3 26,-0.1 14,-0.2 0.290 62.7 50.9-138.8 2.8 53.5 -31.0 -7.2 100 124 A A - 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