==== 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 06-AUG-09 3IKJ . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.KUMAR,M.S.S.MANIMEKALI,A.M.BALAKRISHNA,J.JEYAKANTHAN, . 513 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.9 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 . 2 0.4 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 . 43 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 2 2 0 0 1 1 0 0 0 0 1 0 0 1 1 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 . 3 4 2 3 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 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 60 A R 0 0 69 0, 0.0 46,-0.1 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 104.9 37.6 -20.3 15.2 2 61 A P + 0 0 140 0, 0.0 45,-0.1 0, 0.0 47,-0.0 0.825 360.0 164.5 -58.5 -53.9 38.7 -16.8 16.7 3 62 A G - 0 0 59 1,-0.1 9,-0.1 2,-0.0 8,-0.0 0.088 33.6 -91.1 70.2-170.9 38.0 -14.4 13.8 4 63 A E - 0 0 142 7,-0.2 2,-1.9 8,-0.1 -1,-0.1 -0.996 21.4-114.3-144.6 143.4 37.8 -10.6 13.9 5 64 A P + 0 0 118 0, 0.0 2,-0.4 0, 0.0 6,-0.1 -0.510 53.7 169.2 -70.1 81.0 35.0 -7.9 14.4 6 65 A V - 0 0 84 -2,-1.9 4,-0.1 5,-0.3 -2,-0.1 -0.826 30.2-128.6-104.7 145.1 35.2 -6.4 10.9 7 66 A V S S+ 0 0 138 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 -0.099 72.3 61.9 -74.1 167.9 32.8 -3.9 9.3 8 67 A G S S- 0 0 61 1,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.909 112.7 -6.0 115.5-107.6 31.3 -4.5 5.9 9 68 A T S S- 0 0 127 -2,-0.6 4,-0.4 1,-0.4 3,-0.4 -0.634 114.1 -55.7-130.0 74.5 29.0 -7.5 5.6 10 69 A G S S- 0 0 10 33,-1.6 -1,-0.4 -2,-0.3 34,-0.2 -0.215 87.8 -48.5 84.6-177.8 29.1 -9.5 8.8 11 70 A A S S- 0 0 39 34,-0.4 -5,-0.3 -3,-0.1 -7,-0.2 0.828 91.2 -92.8 -54.6 -27.7 32.1 -11.0 10.6 12 71 A S - 0 0 84 -3,-0.4 2,-0.5 -7,-0.1 -2,-0.1 0.626 47.4-138.0 95.2 73.8 33.2 -12.4 7.1 13 72 A L + 0 0 28 -4,-0.4 123,-1.1 122,-0.1 124,-0.7 -0.546 40.8 152.5 -76.1 116.4 31.5 -15.8 7.4 14 73 A S E -A 135 0A 20 -2,-0.5 2,-0.3 121,-0.3 16,-0.2 -0.550 35.1-134.6-136.5-169.2 33.8 -18.5 6.1 15 74 A V E -A 134 0A 0 119,-1.4 119,-1.7 -2,-0.2 2,-0.3 -0.957 22.6-117.9-153.7 156.2 35.0 -22.1 6.1 16 75 A E E -A 133 0A 6 -2,-0.3 2,-0.5 117,-0.2 117,-0.2 -0.787 25.4-159.6-104.5 145.5 38.3 -23.9 6.2 17 76 A L E +A 132 0A 0 115,-2.1 115,-0.9 -2,-0.3 36,-0.0 -0.914 39.0 80.1-133.1 107.9 39.3 -26.1 3.3 18 77 A G S > S- 0 0 0 -2,-0.5 3,-1.1 113,-0.2 113,-0.2 -0.985 72.7 -15.4 179.3-168.3 41.8 -28.8 3.5 19 78 A P T 3 S+ 0 0 0 0, 0.0 92,-0.1 0, 0.0 40,-0.0 -0.010 112.5 27.5 -57.6 143.5 42.8 -32.3 4.5 20 79 A R T 3 S+ 0 0 87 33,-0.1 62,-0.0 4,-0.0 0, 0.0 0.384 79.2 112.0 88.6 1.3 40.5 -34.3 7.0 21 80 A L X + 0 0 0 -3,-1.1 3,-1.3 2,-0.1 -4,-0.0 0.916 62.0 85.9 -64.2 -41.9 37.2 -32.6 6.2 22 81 A L T 3 S+ 0 0 0 1,-0.3 211,-0.2 208,-0.1 208,-0.2 -0.171 90.3 27.3 -53.7 154.7 36.1 -35.9 4.7 23 82 A T T 3 S+ 0 0 55 209,-2.2 -1,-0.3 206,-1.5 2,-0.2 0.473 104.1 122.2 62.9 12.5 34.6 -38.4 7.2 24 83 A S < - 0 0 7 -3,-1.3 210,-2.3 208,-0.4 2,-0.4 -0.684 56.3-143.6-116.1 156.6 33.6 -35.3 9.2 25 84 A I E +b 234 0B 44 -2,-0.2 8,-0.5 208,-0.2 2,-0.2 -0.986 25.6 173.2-130.4 122.5 30.3 -33.9 10.5 26 85 A Y E -b 235 0B 4 208,-2.5 210,-2.5 -2,-0.4 2,-0.2 -0.692 21.7-128.2-128.3 169.7 29.7 -30.2 10.6 27 86 A D E -b 236 0B 4 2,-0.5 210,-0.1 4,-0.3 6,-0.0 -0.579 57.0 -66.8-120.2-175.3 26.9 -27.8 11.4 28 87 A G S S+ 0 0 0 208,-0.6 224,-0.4 -2,-0.2 225,-0.1 0.794 135.2 32.4 -44.8 -36.4 25.4 -24.8 9.5 29 88 A I S S- 0 0 6 2,-0.1 -2,-0.5 223,-0.1 -14,-0.1 0.038 114.2 -86.5 -94.8-159.7 28.8 -23.4 10.2 30 89 A Q S S+ 0 0 0 -4,-0.2 -14,-0.1 -16,-0.2 -2,-0.1 -0.198 76.3 118.5-124.3 54.3 32.0 -25.5 10.4 31 90 A R - 0 0 1 4,-0.1 -4,-0.3 1,-0.1 4,-0.2 -0.859 62.8-102.0-114.0 146.0 32.4 -26.9 13.9 32 91 A P - 0 0 37 0, 0.0 3,-0.3 0, 0.0 -6,-0.2 -0.108 66.5 -39.8 -63.9 165.1 32.4 -30.6 15.1 33 92 A L S S+ 0 0 111 -8,-0.5 -7,-0.1 1,-0.2 -6,-0.0 0.215 117.8 2.6 -34.1 133.0 29.5 -32.4 16.7 34 93 A E S S+ 0 0 190 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.866 85.2 152.4 61.1 43.6 27.1 -30.8 19.3 35 94 A V - 0 0 38 -3,-0.3 -1,-0.2 -4,-0.2 -4,-0.1 -0.905 50.1 -97.2-112.1 131.1 28.6 -27.3 19.3 36 95 A I - 0 0 104 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.076 40.7-131.1 -38.8 143.9 26.8 -24.0 20.2 37 96 A R - 0 0 20 10,-0.1 207,-0.1 12,-0.0 -1,-0.1 -0.907 9.4-130.2-118.3 132.9 25.4 -22.0 17.2 38 97 A E - 0 0 15 -2,-0.4 207,-0.3 1,-0.1 9,-0.2 -0.275 24.3-108.4 -72.9 153.5 25.7 -18.2 16.3 39 98 A K B -K 46 0C 153 7,-0.6 7,-0.7 205,-0.1 -1,-0.1 -0.256 28.6-145.1 -76.7 163.4 23.0 -15.7 15.3 40 99 A T + 0 0 41 5,-0.2 2,-0.2 -2,-0.0 -1,-0.1 -0.121 22.4 157.2-112.9-152.9 22.4 -14.1 11.8 41 100 A G - 0 0 31 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.508 55.8 -98.7 140.6 153.0 21.2 -10.8 10.2 42 101 A D S S+ 0 0 140 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.973 124.3 41.9 -62.5 -45.4 21.5 -9.0 6.9 43 102 A F S S- 0 0 124 1,-0.1 -33,-1.6 -34,-0.1 2,-0.3 0.835 122.1 -23.2 -65.9 -43.3 24.3 -7.0 8.6 44 103 A I - 0 0 79 -35,-0.2 2,-0.3 -34,-0.2 -1,-0.1 -0.982 43.8-135.8-165.1 170.6 26.4 -9.5 10.7 45 104 A A - 0 0 25 -2,-0.3 2,-0.5 -3,-0.1 -34,-0.4 -0.998 12.2-147.7-144.8 145.6 26.8 -12.7 12.6 46 105 A R B -K 39 0C 178 -7,-0.7 -7,-0.6 -2,-0.3 2,-0.4 -0.951 17.9-173.3-117.5 125.1 28.4 -13.7 16.0 47 106 A G - 0 0 40 -2,-0.5 2,-0.5 -9,-0.2 -10,-0.1 -0.905 22.4-175.0-136.1 117.1 30.1 -17.0 16.6 48 107 A V + 0 0 83 -2,-0.4 2,-0.1 1,-0.0 -10,-0.1 -0.869 42.8 148.5 -89.6 124.5 31.6 -18.8 19.7 49 108 A T - 0 0 46 -2,-0.5 -13,-0.1 -48,-0.1 -12,-0.0 -0.322 44.5-118.6-138.1-168.1 33.2 -22.1 18.3 50 109 A A - 0 0 30 -2,-0.1 2,-0.3 -15,-0.1 -20,-0.1 -0.742 56.7 -63.9-134.4-169.3 35.8 -24.9 18.2 51 110 A P - 0 0 76 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.669 32.1-155.2 -84.8 143.6 38.3 -25.9 15.4 52 111 A A S S+ 0 0 0 -2,-0.3 -21,-0.0 1,-0.2 -37,-0.0 0.764 82.8 25.6 -83.6 -30.5 37.1 -27.1 11.9 53 112 A L S S- 0 0 1 -36,-0.0 2,-0.3 -21,-0.0 -1,-0.2 -0.999 94.9-103.0-131.7 136.3 40.2 -29.2 10.9 54 113 A P > - 0 0 19 0, 0.0 3,-0.5 0, 0.0 57,-0.4 -0.444 24.7-166.2 -62.7 123.5 42.6 -30.8 13.4 55 114 A R T 3 S+ 0 0 58 -2,-0.3 57,-0.3 1,-0.2 55,-0.0 0.537 88.0 59.5 -80.1 -5.9 45.9 -28.7 13.7 56 115 A D T 3 S+ 0 0 135 54,-0.1 2,-0.3 55,-0.1 -1,-0.2 0.505 80.5 101.2-106.8 -11.9 47.4 -31.6 15.4 57 116 A K < - 0 0 90 -3,-0.5 2,-0.6 1,-0.0 54,-0.3 -0.622 67.1-131.8 -82.9 139.7 47.0 -34.3 12.7 58 117 A K - 0 0 141 -2,-0.3 2,-0.4 52,-0.1 52,-0.2 -0.797 22.7-167.2-100.8 120.8 50.0 -35.2 10.5 59 118 A W E -L 109 0D 12 50,-3.0 50,-1.7 -2,-0.6 2,-1.1 -0.804 23.7-122.8-112.0 140.0 49.5 -35.4 6.7 60 119 A H E -L 108 0D 68 -2,-0.4 2,-0.3 21,-0.3 48,-0.2 -0.658 30.8-159.2 -85.7 101.0 51.8 -36.8 4.0 61 120 A F E -L 107 0D 0 46,-2.9 46,-0.8 -2,-1.1 19,-0.2 -0.549 10.4-171.0 -77.5 132.3 52.6 -34.0 1.5 62 121 A I E -M 79 0E 43 17,-1.9 17,-2.8 -2,-0.3 2,-0.1 -0.980 20.8-138.9-120.5 113.9 53.7 -34.9 -1.9 63 122 A P E +M 78 0E 37 0, 0.0 15,-0.3 0, 0.0 14,-0.1 -0.432 23.2 179.0 -73.2 154.1 54.9 -31.8 -3.8 64 123 A K + 0 0 113 13,-3.9 2,-0.3 -2,-0.1 14,-0.2 0.233 63.1 61.7-133.8 5.7 53.9 -31.5 -7.4 65 124 A A - 0 0 17 12,-1.2 2,-0.3 4,-0.0 12,-0.1 -0.901 68.8-140.5-131.2 158.2 55.4 -28.1 -8.1 66 125 A K > - 0 0 139 -2,-0.3 3,-3.1 4,-0.1 34,-0.3 -0.876 30.3 -87.9-128.4 161.2 59.0 -26.8 -8.1 67 126 A V T 3 S+ 0 0 95 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.434 119.7 31.4 -58.0 124.7 61.1 -23.7 -7.1 68 127 A G T 3 S+ 0 0 37 32,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.078 88.7 129.2 109.7 -20.9 61.0 -21.6 -10.2 69 128 A D < - 0 0 51 -3,-3.1 31,-2.1 31,-0.2 -1,-0.3 -0.434 56.1-130.2 -74.8 138.9 57.5 -22.7 -11.4 70 129 A K E -O 99 0F 148 29,-0.2 2,-0.3 -2,-0.1 29,-0.2 -0.707 33.5-174.9 -80.7 141.4 54.9 -20.0 -12.4 71 130 A V E -O 98 0F 9 27,-2.5 27,-2.3 -2,-0.3 2,-0.3 -0.960 17.5-170.4-139.4 157.1 51.5 -20.5 -10.7 72 131 A V > - 0 0 48 -2,-0.3 3,-1.8 25,-0.2 20,-0.3 -0.816 50.0 -64.9-133.1 171.1 48.0 -19.1 -10.6 73 132 A G T 3 S+ 0 0 10 -2,-0.3 231,-0.1 1,-0.2 3,-0.1 -0.293 122.9 28.6 -59.2 145.3 45.1 -19.7 -8.4 74 133 A G T 3 S+ 0 0 7 18,-3.3 -1,-0.2 1,-0.3 228,-0.0 0.092 86.7 137.1 88.2 -21.0 43.7 -23.3 -8.6 75 134 A D < - 0 0 16 -3,-1.8 17,-2.7 16,-0.1 2,-0.7 -0.302 55.9-127.1 -62.3 145.7 47.2 -24.6 -9.6 76 135 A I E + N 0 91E 35 15,-0.2 15,-0.3 1,-0.1 -1,-0.1 -0.829 31.2 173.9-104.6 118.6 47.9 -27.8 -7.8 77 136 A I E - 0 0 3 13,-2.5 -13,-3.9 -2,-0.7 -12,-1.2 0.631 62.7 -20.1-108.2 -12.6 51.2 -27.7 -6.0 78 137 A G E -MN 63 90E 0 12,-1.1 12,-3.2 -15,-0.3 2,-0.3 -0.979 58.0-106.8-171.1-172.7 50.9 -31.0 -4.3 79 138 A E E -MN 62 89E 34 -17,-2.8 -17,-1.9 -2,-0.3 10,-0.2 -0.934 10.6-168.9-127.5 147.1 48.9 -34.0 -3.0 80 139 A V E - N 0 88E 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.927 25.4-135.4-133.7 103.7 47.8 -35.4 0.4 81 140 A P E + N 0 87E 67 0, 0.0 -21,-0.3 0, 0.0 6,-0.2 -0.482 35.1 174.3 -52.7 106.5 46.3 -39.0 0.5 82 141 A E + 0 0 19 4,-1.7 2,-0.2 -2,-0.6 5,-0.2 0.951 56.5 0.6 -93.1 -59.9 43.4 -38.1 2.8 83 142 A T S S- 0 0 24 3,-1.4 -1,-0.1 147,-0.2 5,-0.1 -0.558 85.4 -96.3-109.5-174.1 41.1 -41.1 3.1 84 143 A S S S+ 0 0 65 -2,-0.2 3,-0.1 1,-0.1 147,-0.1 0.591 124.8 40.2 -75.3 -14.4 41.7 -44.5 1.4 85 144 A I S S+ 0 0 40 145,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.895 110.2 53.2 -95.2 -51.8 39.4 -43.3 -1.4 86 145 A I - 0 0 6 144,-0.7 -4,-1.7 -5,-0.0 -3,-1.4 -0.754 59.8-149.9-103.4 123.8 40.2 -39.6 -2.0 87 146 A V E -N 81 0E 49 -2,-0.5 2,-0.4 -6,-0.2 -3,-0.0 -0.755 25.1-136.6 -76.4 127.8 43.5 -37.9 -2.8 88 147 A H E -N 80 0E 0 -8,-2.8 -8,-2.4 -2,-0.5 2,-0.6 -0.774 15.3-143.7 -86.1 128.1 43.3 -34.3 -1.5 89 148 A K E -N 79 0E 50 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.877 7.0-139.9 -98.0 119.8 44.7 -31.9 -4.1 90 149 A I E -N 78 0E 3 -12,-3.2 -13,-2.5 -2,-0.6 -12,-1.1 -0.694 29.1-173.2 -82.1 117.8 46.7 -28.9 -2.6 91 150 A M E -N 76 0E 10 -2,-0.6 -15,-0.2 -15,-0.3 -16,-0.1 -0.881 31.6-110.9-117.2 139.8 45.8 -25.8 -4.6 92 151 A V - 0 0 1 -17,-2.7 -18,-3.3 -2,-0.4 3,-0.1 -0.481 50.7-109.9 -56.8 129.7 47.0 -22.2 -4.7 93 152 A P > - 0 0 29 0, 0.0 3,-1.7 0, 0.0 -18,-0.1 -0.252 41.9 -85.6 -59.2 147.3 44.1 -20.1 -3.3 94 153 A P T 3 S+ 0 0 24 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.306 113.9 28.9 -59.1 142.2 42.2 -17.9 -5.7 95 154 A G T 3 S+ 0 0 83 1,-0.3 2,-0.5 -3,-0.1 -3,-0.0 0.223 94.8 109.4 90.8 -11.7 43.7 -14.5 -6.3 96 155 A I < + 0 0 25 -3,-1.7 2,-0.3 24,-0.0 -1,-0.3 -0.843 38.2 154.6 -99.3 130.8 47.3 -15.6 -5.6 97 156 A E + 0 0 105 -2,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.995 19.0 78.0-150.7 150.0 49.7 -15.8 -8.5 98 157 A G E S-O 71 0F 3 -27,-2.3 -27,-2.5 -2,-0.3 2,-0.3 -0.997 71.8 -25.9 154.1-150.2 53.4 -15.7 -9.0 99 158 A E E -OP 70 119F 71 20,-2.4 20,-2.5 -2,-0.3 2,-1.1 -0.796 48.5-122.3-108.9 144.2 56.6 -17.7 -8.6 100 159 A I E + P 0 118F 1 -31,-2.1 -32,-2.8 -2,-0.3 18,-0.2 -0.768 36.4 167.1 -87.1 109.9 57.2 -20.5 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