==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-06 2DMA . COMPND 2 MOLECULE: V-TYPE ATP SYNTHASE SUBUNIT E; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMIC . 118 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 1 1 1 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 81 A E > 0 0 200 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.3 23.7 -5.3 31.6 2 82 A I H > + 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.888 360.0 54.2 -66.3 -36.3 20.7 -3.9 29.6 3 83 A I H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 108.8 48.6 -58.5 -44.8 19.7 -2.0 32.8 4 84 A S H > S+ 0 0 55 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.939 111.3 49.6 -62.4 -44.3 23.1 -0.5 33.0 5 85 A S H X S+ 0 0 47 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.857 109.9 49.6 -65.6 -35.6 23.1 0.6 29.4 6 86 A V H >X S+ 0 0 34 -4,-2.2 4,-1.7 1,-0.2 3,-0.6 0.867 106.7 57.3 -71.0 -32.3 19.7 2.2 29.6 7 87 A L H 3X S+ 0 0 17 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.740 98.1 61.0 -68.6 -21.8 20.8 4.1 32.7 8 88 A E H 3X S+ 0 0 93 -4,-0.9 4,-1.9 -3,-0.3 -1,-0.2 0.820 103.7 49.8 -72.3 -30.1 23.7 5.5 30.6 9 89 A E H X S+ 0 0 123 -4,-1.9 3,-0.5 1,-0.2 4,-0.5 0.927 109.6 48.0 -63.1 -43.1 23.1 11.5 29.2 13 93 A R H >X S+ 0 0 157 -4,-2.3 4,-0.9 1,-0.2 3,-0.7 0.845 108.2 54.5 -66.6 -33.3 19.7 13.2 29.5 14 94 A L H 3< S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.723 92.4 76.3 -71.8 -20.9 20.5 14.4 33.0 15 95 A E H << S+ 0 0 160 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.804 111.4 20.5 -60.4 -32.6 23.7 16.0 31.6 16 96 A T H << S+ 0 0 129 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.459 92.0 128.7-115.4 -4.6 21.8 18.9 30.1 17 97 A X < - 0 0 44 -4,-0.9 -3,-0.0 1,-0.1 2,-0.0 -0.258 57.6-123.4 -59.0 132.9 18.6 18.8 32.1 18 98 A S > - 0 0 64 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.306 20.8-113.6 -72.1 160.4 17.6 22.1 33.6 19 99 A E H > S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 116.8 54.5 -61.6 -41.8 17.0 22.4 37.4 20 100 A D H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.897 109.8 45.3 -61.2 -41.8 13.3 23.0 36.8 21 101 A E H >> S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.933 113.6 50.0 -68.4 -42.9 12.9 19.9 34.7 22 102 A Y H 3X S+ 0 0 23 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.893 106.3 56.5 -61.3 -37.7 14.8 17.8 37.2 23 103 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.800 99.1 59.4 -64.9 -27.8 12.7 19.2 40.0 24 104 A E H S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 5,-0.8 0.879 109.0 52.0 -67.4 -38.1 4.8 9.5 50.1 35 115 A K H <5S+ 0 0 143 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.921 110.3 49.8 -62.5 -43.2 1.4 8.4 48.8 36 116 A E H <5S+ 0 0 153 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.4 43.6 -62.4 -44.9 2.5 4.8 49.1 37 117 A L H <5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.806 93.4-152.5 -71.0 -30.4 3.7 5.2 52.7 38 118 A N T <5 + 0 0 121 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.939 48.6 127.2 55.2 51.9 0.6 7.2 53.5 39 119 A E < - 0 0 78 -5,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.962 58.3-144.5-135.5 150.8 2.4 9.1 56.3 40 120 A K S S+ 0 0 108 -2,-0.3 29,-4.7 1,-0.2 2,-0.6 0.774 87.7 56.9 -86.6 -29.3 2.7 12.9 56.9 41 121 A K E +a 69 0A 118 27,-0.2 46,-1.4 29,-0.1 2,-0.3 -0.913 68.4 159.3-110.6 117.2 6.3 12.8 58.3 42 122 A V E -aB 70 86A 2 27,-2.8 29,-2.0 -2,-0.6 2,-0.4 -0.899 33.0-135.6-133.6 162.2 9.0 11.3 56.1 43 123 A R E -aB 71 85A 52 42,-2.6 42,-2.3 -2,-0.3 2,-0.4 -0.953 23.1-155.1-116.3 135.9 12.8 11.3 55.8 44 124 A V E -aB 72 84A 0 27,-2.2 29,-2.8 -2,-0.4 2,-0.4 -0.901 9.9-172.6-118.4 142.4 14.4 11.6 52.3 45 125 A X E + B 0 83A 6 38,-2.5 38,-2.3 -2,-0.4 2,-0.3 -0.994 25.3 122.3-132.5 139.0 17.8 10.5 51.0 46 126 A S - 0 0 0 28,-0.4 30,-1.8 -2,-0.4 36,-0.1 -0.883 63.9 -46.5-167.7-168.3 19.4 11.2 47.7 47 127 A N > - 0 0 34 34,-0.3 4,-2.3 -2,-0.3 5,-0.3 -0.304 62.5 -99.6 -73.7 165.6 22.6 12.8 46.3 48 128 A E H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 120.8 52.9 -51.1 -49.2 23.7 16.2 47.6 49 129 A K H > S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 110.9 47.0 -55.8 -46.7 22.3 18.2 44.7 50 130 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 111.1 49.0 -65.1 -47.8 18.8 16.7 45.1 51 131 A L H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.877 110.3 54.5 -61.1 -33.5 18.6 17.1 48.9 52 132 A G H X S+ 0 0 34 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.872 108.4 48.0 -66.1 -37.4 19.7 20.7 48.3 53 133 A L H X S+ 0 0 6 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.945 110.5 50.2 -66.6 -50.8 16.8 21.2 45.8 54 134 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.1 47.3 -54.3 -43.3 14.3 19.7 48.2 55 135 A A H >< S+ 0 0 53 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 0.911 113.8 47.6 -65.5 -43.4 15.5 22.0 50.9 56 136 A S H 3< S+ 0 0 102 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.826 121.5 34.3 -68.3 -34.4 15.5 25.1 48.6 57 137 A R T 3X S+ 0 0 39 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 -0.026 71.8 127.7-114.4 32.7 12.0 24.4 47.3 58 138 A I H <> S+ 0 0 43 -3,-0.8 4,-2.7 1,-0.2 5,-0.2 0.833 74.8 56.3 -56.6 -34.0 10.2 22.9 50.3 59 139 A E H > S+ 0 0 139 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.958 107.9 47.0 -62.6 -49.1 7.4 25.5 49.9 60 140 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.889 112.9 51.2 -58.7 -39.9 6.8 24.5 46.3 61 141 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.920 110.1 47.3 -64.9 -45.3 6.8 20.8 47.4 62 142 A K H X S+ 0 0 73 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.858 110.9 52.9 -66.7 -34.1 4.3 21.4 50.2 63 143 A S H < S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.929 117.8 34.6 -66.0 -44.0 2.0 23.3 47.9 64 144 A E H < S+ 0 0 100 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.686 124.6 43.0 -84.6 -17.7 1.8 20.6 45.2 65 145 A L H < S- 0 0 31 -4,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.544 100.8-130.7-107.3 -13.5 2.0 17.6 47.6 66 146 A G < - 0 0 42 -4,-1.4 2,-1.2 -5,-0.2 -1,-0.3 -0.687 61.4 -12.5 98.0-154.3 -0.3 18.6 50.4 67 147 A D S S+ 0 0 119 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.702 85.4 133.5 -92.7 85.5 0.3 18.5 54.1 68 148 A V - 0 0 9 -2,-1.2 2,-0.5 -6,-0.0 -27,-0.2 -0.952 45.0-139.7-133.1 152.9 3.5 16.5 54.5 69 149 A S E -a 41 0A 54 -29,-4.7 -27,-2.8 -2,-0.3 2,-0.4 -0.963 17.6-164.1-116.4 125.3 6.7 17.1 56.6 70 150 A I E -a 42 0A 33 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.913 7.3-172.1-114.3 134.9 10.1 16.3 55.1 71 151 A E E -a 43 0A 95 -29,-2.0 -27,-2.2 -2,-0.4 2,-0.1 -0.985 29.0-119.6-121.9 130.7 13.3 15.9 56.9 72 152 A L E -a 44 0A 79 -2,-0.4 -27,-0.2 -29,-0.2 2,-0.1 -0.448 32.5-168.4 -69.4 141.9 16.6 15.5 55.0 73 153 A G - 0 0 20 -29,-2.8 -27,-0.2 1,-0.2 -1,-0.1 -0.367 38.7 -46.6-113.5-163.5 18.5 12.3 55.6 74 154 A E - 0 0 140 -2,-0.1 -28,-0.4 1,-0.1 -1,-0.2 -0.273 60.6-107.4 -69.7 153.0 22.0 11.2 54.7 75 155 A T - 0 0 86 -30,-0.2 2,-0.3 -3,-0.1 -28,-0.2 -0.585 37.0-164.2 -79.6 142.3 23.3 11.7 51.2 76 156 A V - 0 0 34 -30,-1.8 2,-1.0 -2,-0.2 -28,-0.1 -0.913 29.3-102.4-126.9 154.6 23.6 8.5 49.2 77 157 A D + 0 0 169 -2,-0.3 2,-0.3 -30,-0.1 -30,-0.1 -0.670 66.6 134.3 -79.2 106.2 25.5 7.8 46.0 78 158 A T - 0 0 14 -2,-1.0 3,-0.1 1,-0.1 -2,-0.0 -0.985 63.3-126.8-151.1 158.2 22.8 7.9 43.3 79 159 A X S S- 0 0 44 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.726 82.0 -63.3 -75.7 -25.5 22.2 9.3 39.8 80 160 A G S S+ 0 0 0 -3,-0.0 17,-2.1 -55,-0.0 18,-0.4 -0.935 88.3 86.3 159.9-179.5 19.0 10.9 41.0 81 161 A G E - C 0 96A 0 15,-0.3 2,-0.3 -2,-0.3 15,-0.3 -0.478 66.8 -86.7 91.9-168.8 15.6 10.2 42.4 82 162 A V E - C 0 95A 0 13,-1.5 13,-2.2 -2,-0.2 2,-0.5 -0.988 10.7-145.0-146.5 154.2 14.8 9.7 46.1 83 163 A I E -BC 45 94A 19 -38,-2.3 -38,-2.5 -2,-0.3 2,-0.4 -0.978 28.4-170.2-113.5 125.1 14.6 7.2 48.9 84 164 A V E +BC 44 93A 0 9,-2.4 9,-3.3 -2,-0.5 2,-0.3 -0.977 8.7 171.1-123.2 132.6 11.8 8.0 51.2 85 165 A E E -BC 43 92A 16 -42,-2.3 -42,-2.6 -2,-0.4 7,-0.2 -0.941 39.7 -92.3-137.2 159.2 11.1 6.3 54.6 86 166 A T E > -B 42 0A 1 5,-2.1 3,-2.8 -2,-0.3 -44,-0.2 -0.327 47.8-105.3 -64.6 153.2 8.8 6.8 57.6 87 167 A E T 3 S+ 0 0 89 -46,-1.4 -1,-0.1 1,-0.3 -45,-0.1 0.809 123.5 51.7 -52.0 -32.5 10.4 9.0 60.3 88 168 A D T 3 S- 0 0 104 1,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.458 111.0-123.3 -84.8 -0.2 11.0 6.0 62.5 89 169 A G S < S+ 0 0 35 -3,-2.8 -2,-0.1 2,-0.2 3,-0.1 0.513 75.6 124.0 73.1 5.7 12.7 4.2 59.6 90 170 A R S S+ 0 0 152 1,-0.2 2,-0.4 -5,-0.0 -1,-0.1 0.898 72.4 34.4 -65.7 -42.0 10.4 1.2 59.7 91 171 A I - 0 0 71 2,-0.0 -5,-2.1 -54,-0.0 2,-0.4 -0.960 69.7-174.7-120.4 133.7 9.3 1.4 56.0 92 172 A R E -C 85 0A 138 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.987 10.5-160.8-131.5 135.8 11.4 2.5 53.1 93 173 A I E -C 84 0A 28 -9,-3.3 -9,-2.4 -2,-0.4 2,-0.9 -0.961 12.6-147.1-116.1 126.1 10.6 3.1 49.5 94 174 A D E +C 83 0A 66 -2,-0.5 -11,-0.2 -11,-0.2 -2,-0.0 -0.801 30.6 157.8 -97.1 101.2 13.4 3.2 46.9 95 175 A N E +C 82 0A 1 -13,-2.2 -13,-1.5 -2,-0.9 2,-0.2 -0.151 25.7 133.3-113.6 37.3 12.6 5.6 44.1 96 176 A T E > S-C 81 0A 8 -15,-0.3 4,-2.7 1,-0.1 -15,-0.3 -0.535 70.4-112.7 -80.7 154.8 16.2 6.3 42.9 97 177 A F H > S+ 0 0 30 -17,-2.1 4,-2.3 1,-0.2 5,-0.2 0.855 117.1 56.4 -57.4 -34.0 16.6 6.1 39.1 98 178 A E H > S+ 0 0 57 -18,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.944 111.1 40.7 -64.3 -47.8 18.8 3.0 39.6 99 179 A A H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.901 115.4 51.8 -67.5 -41.0 16.1 1.0 41.4 100 180 A R H X S+ 0 0 42 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.881 106.2 53.4 -64.9 -38.4 13.3 2.3 39.2 101 181 A X H < S+ 0 0 24 -4,-2.3 4,-0.4 -5,-0.2 3,-0.4 0.911 107.7 52.0 -63.1 -40.6 15.1 1.3 36.0 102 182 A E H >< S+ 0 0 128 -4,-1.5 3,-1.3 1,-0.2 4,-0.3 0.932 109.6 49.1 -59.5 -45.8 15.5 -2.3 37.4 103 183 A R H 3< S+ 0 0 135 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.704 110.5 50.9 -68.0 -21.1 11.8 -2.4 38.1 104 184 A F T >X S+ 0 0 83 -4,-1.3 3,-1.6 -3,-0.4 4,-1.1 0.381 76.8 106.2 -96.6 2.5 11.0 -1.2 34.6 105 185 A E H X> S+ 0 0 61 -3,-1.3 4,-2.1 -4,-0.4 3,-0.6 0.874 70.7 64.0 -47.2 -45.0 13.2 -3.8 33.0 106 186 A G H 3> S+ 0 0 46 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.3 0.845 98.2 55.1 -50.4 -37.5 10.1 -5.7 31.9 107 187 A E H <> S+ 0 0 124 -3,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.888 106.3 49.6 -65.6 -39.4 9.1 -2.8 29.6 108 188 A I H