==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-10 3LG8 . COMPND 2 MOLECULE: A-TYPE ATP SYNTHASE SUBUNIT E; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.M.BALAKRISHNA,M.S.S.MANIMEKALAI,C.HUNKE,S.GAYEN,J.JEYAKANT . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 28 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 5 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 101 A E 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.4 25.1 -9.8 20.7 2 102 A Q + 0 0 111 1,-0.1 2,-1.2 2,-0.0 3,-0.4 0.211 360.0 110.5 73.8 -13.3 27.2 -7.8 18.2 3 103 A P + 0 0 65 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.475 27.8 131.8 -90.1 57.1 24.7 -9.0 15.4 4 104 A E S > S+ 0 0 95 -2,-1.2 3,-0.6 1,-0.2 4,-0.0 0.830 76.5 44.0 -78.2 -36.7 23.1 -5.6 14.8 5 105 A Y T 3> S+ 0 0 71 -3,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.116 84.5 95.8 -96.3 18.2 23.4 -5.9 11.0 6 106 A K T 34 S+ 0 0 64 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.519 89.2 48.6 -77.3 -10.0 22.2 -9.5 11.2 7 107 A D T <> S+ 0 0 69 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.502 101.4 62.9 -98.8 -15.1 18.8 -7.9 10.4 8 108 A K H > S+ 0 0 50 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.796 95.8 60.0 -74.1 -31.9 20.5 -5.9 7.6 9 109 A L H X S+ 0 0 43 -4,-1.0 4,-2.0 2,-0.2 3,-0.4 0.900 108.4 43.2 -59.4 -42.8 21.2 -9.3 6.0 10 110 A I H > S+ 0 0 64 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.798 111.3 54.7 -71.1 -30.4 17.4 -9.8 5.9 11 111 A K H < S+ 0 0 64 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.591 110.7 48.0 -75.9 -11.5 17.1 -6.2 4.8 12 112 A L H X S+ 0 0 36 -4,-0.7 4,-1.7 -3,-0.4 -2,-0.2 0.787 108.8 49.8 -94.5 -38.6 19.5 -7.2 1.9 13 113 A I H X S+ 0 0 56 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.837 112.5 49.5 -68.3 -33.1 17.7 -10.4 0.9 14 114 A K H X S+ 0 0 59 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.757 108.2 54.0 -74.5 -27.2 14.5 -8.4 0.8 15 115 A D H > S+ 0 0 61 1,-0.2 4,-1.1 -4,-0.2 -2,-0.2 0.840 107.3 50.3 -71.8 -36.4 16.3 -5.7 -1.3 16 116 A G H X S+ 0 0 11 -4,-1.7 4,-0.6 2,-0.2 5,-0.2 0.738 100.0 70.5 -71.4 -24.5 17.3 -8.5 -3.8 17 117 A A H >X>S+ 0 0 36 -4,-0.9 4,-3.5 2,-0.2 3,-1.8 0.985 106.3 31.0 -56.1 -71.0 13.7 -9.6 -3.9 18 118 A I H 3<5S+ 0 0 87 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 118.4 58.5 -58.8 -32.8 12.1 -6.7 -5.9 19 119 A S H 3<5S+ 0 0 85 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.544 117.2 33.6 -76.1 -9.7 15.5 -6.3 -7.6 20 120 A L H <<5S- 0 0 59 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.2 0.718 90.9-144.2-104.8 -40.6 15.2 -9.8 -8.9 21 121 A G T <5 + 0 0 57 -4,-3.5 2,-0.3 -5,-0.2 -3,-0.2 0.889 41.5 177.1 68.4 43.7 11.4 -10.1 -9.3 22 122 A G < - 0 0 23 -5,-0.9 32,-0.4 -6,-0.2 33,-0.3 -0.632 36.9-176.8 -93.1 136.1 11.8 -13.7 -8.1 23 123 A G S S+ 0 0 27 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.907 89.0 6.1 -80.6 -75.6 9.2 -16.3 -7.5 24 124 A E S S+ 0 0 72 33,-0.1 50,-1.1 51,-0.1 2,-0.6 -0.863 74.3 166.5-115.4 95.8 11.4 -19.1 -6.2 25 125 A L - 0 0 12 -2,-0.6 2,-1.5 48,-0.2 48,-0.2 -0.919 31.7-141.8-110.4 105.5 15.0 -18.0 -5.8 26 126 A I - 0 0 32 -2,-0.6 2,-0.5 46,-0.2 46,-0.5 -0.500 24.7-142.5 -67.8 89.7 17.1 -20.5 -3.7 27 127 A V - 0 0 27 -2,-1.5 2,-0.9 44,-0.2 33,-0.6 -0.404 5.8-150.7 -66.6 108.3 19.1 -17.9 -1.8 28 128 A R B -A 70 0A 33 42,-1.2 42,-0.7 -2,-0.5 34,-0.2 -0.719 27.2-149.1 -80.7 105.0 22.7 -19.2 -1.3 29 129 A L - 0 0 20 -2,-0.9 2,-2.2 32,-0.8 6,-0.1 -0.105 26.8 -79.9 -81.3 171.5 23.6 -17.5 2.0 30 130 A N S S- 0 0 12 37,-0.2 -1,-0.1 34,-0.1 5,-0.1 -0.428 85.7 -68.6 -74.1 74.0 26.9 -16.2 3.4 31 131 A K S >> S- 0 0 29 -2,-2.2 4,-2.5 32,-1.2 3,-1.8 0.111 74.2 -57.1 65.4 177.4 28.4 -19.5 4.7 32 132 A R H 3>>S+ 0 0 69 1,-0.3 4,-2.8 2,-0.3 5,-0.6 0.889 130.1 68.7 -56.7 -43.9 27.1 -21.7 7.5 33 133 A D H 345S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.574 118.4 26.3 -55.9 -8.2 27.5 -18.9 10.0 34 134 A M H <>>S+ 0 0 20 -3,-1.8 4,-3.1 3,-0.1 5,-0.8 0.555 113.4 66.1-119.3 -30.0 24.6 -17.5 8.0 35 135 A E H <5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.714 113.6 34.1 -68.1 -24.0 23.1 -20.7 6.7 36 136 A L T <5S+ 0 0 79 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.1 0.627 126.4 45.0 -95.1 -21.9 22.1 -21.7 10.3 37 137 A I T >4> + 0 0 68 -2,-0.8 4,-1.6 -3,-0.2 3,-0.5 0.921 68.6 42.1 -88.0 -51.9 12.1 -19.3 7.5 43 143 A W T 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.554 113.3 58.7 -75.1 -8.5 8.5 -18.4 7.1 44 144 A N T >4 S+ 0 0 72 2,-0.1 3,-0.5 1,-0.1 4,-0.3 0.682 104.4 50.0 -86.8 -25.0 9.5 -14.9 8.3 45 145 A L T <4 S+ 0 0 70 -3,-0.5 4,-0.3 -4,-0.4 3,-0.2 0.878 108.0 52.6 -74.4 -41.9 12.0 -14.7 5.4 46 146 A E T 3X S+ 0 0 25 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.080 86.5 98.5 -84.5 23.9 9.4 -15.7 2.8 47 147 A K T <4 S+ 0 0 65 -3,-0.5 3,-0.5 2,-0.2 4,-0.4 0.996 89.5 24.1 -75.8 -75.1 6.9 -12.9 3.9 48 148 A E T > S+ 0 0 72 -4,-0.3 4,-1.3 -3,-0.2 5,-0.5 0.528 110.4 80.4 -71.2 -6.3 7.2 -9.9 1.6 49 149 A V H > S+ 0 0 13 -4,-0.3 4,-1.0 1,-0.2 5,-0.5 0.962 98.0 35.7 -65.9 -55.7 8.6 -12.2 -1.1 50 150 A E H < S+ 0 0 45 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.565 114.7 68.8 -73.6 -8.4 5.2 -13.6 -2.2 51 151 A N H 4 S+ 0 0 74 -4,-0.4 -2,-0.2 4,-0.1 -3,-0.1 0.989 111.8 15.1 -74.4 -80.6 3.8 -10.1 -1.6 52 152 A A H < S+ 0 0 96 -4,-1.3 -3,-0.1 3,-0.0 -2,-0.1 0.837 135.4 40.5 -67.4 -34.6 5.1 -7.6 -4.1 53 153 A T S < S- 0 0 46 -4,-1.0 -3,-0.2 -5,-0.5 -30,-0.1 0.802 102.0-102.5 -79.5-109.1 6.4 -10.3 -6.4 54 154 A K S S+ 0 0 88 1,-0.5 2,-0.3 -5,-0.5 -4,-0.1 0.371 85.9 25.8-153.0 -47.1 4.4 -13.5 -7.1 55 155 A K S S- 0 0 45 -33,-0.3 -1,-0.5 -6,-0.2 2,-0.2 -0.846 80.7 -91.8-133.0 166.1 5.7 -16.4 -5.1 56 156 A V - 0 0 48 -2,-0.3 2,-0.4 -6,-0.1 -10,-0.1 -0.510 32.0-129.6 -86.4 146.1 7.7 -17.1 -1.9 57 157 A T - 0 0 39 -2,-0.2 2,-0.5 -33,-0.2 -33,-0.1 -0.798 18.3-168.3 -99.9 129.7 11.5 -17.5 -1.7 58 158 A V - 0 0 73 -2,-0.4 2,-0.1 -13,-0.1 -15,-0.0 -0.964 16.7-135.4-122.1 118.5 13.2 -20.5 0.0 59 159 A L + 0 0 62 -2,-0.5 -31,-0.2 -33,-0.2 -33,-0.1 -0.344 33.2 158.3 -69.6 149.1 16.9 -20.5 0.8 60 160 A K + 0 0 73 -33,-0.6 -31,-0.2 1,-0.4 -1,-0.1 0.219 38.7 48.8-133.9-107.2 18.9 -23.7 0.1 61 161 A K - 0 0 67 -35,-0.1 -32,-0.8 1,-0.1 2,-0.4 -0.022 58.4-143.3 -53.6 147.7 22.7 -24.3 -0.5 62 162 A G + 0 0 48 -34,-0.2 -30,-0.2 -3,-0.1 -1,-0.1 -0.581 27.5 171.3-116.2 66.9 25.2 -22.9 2.0 63 163 A E - 0 0 62 -2,-0.4 -32,-1.2 -32,-0.1 2,-0.0 -0.666 40.6-107.2 -80.5 128.8 28.2 -21.9 -0.1 64 164 A P + 0 0 92 0, 0.0 -34,-0.1 0, 0.0 -1,-0.1 -0.283 57.1 144.8 -57.2 130.5 30.9 -20.0 1.8 65 165 A V - 0 0 69 1,-0.2 -35,-0.1 -3,-0.0 4,-0.1 0.144 51.3 -83.3-135.4-117.3 31.0 -16.3 0.8 66 166 A D S S- 0 0 64 2,-0.3 -1,-0.2 -35,-0.0 3,-0.1 0.363 76.0 -51.7-133.9 -88.1 31.7 -13.0 2.5 67 167 A I S S+ 0 0 69 1,-0.3 2,-0.4 -33,-0.0 -37,-0.2 0.582 111.9 56.0-134.2 -38.2 28.9 -11.2 4.5 68 168 A A S S- 0 0 20 -39,-0.1 16,-0.5 -56,-0.0 2,-0.4 -0.859 79.8-118.4-109.3 141.2 25.8 -10.8 2.3 69 169 A G - 0 0 30 -2,-0.4 2,-0.6 14,-0.2 -40,-0.2 -0.630 17.1-138.4 -84.4 123.6 23.9 -13.7 0.6 70 170 A G B -A 28 0A 21 -42,-0.7 -42,-1.2 -2,-0.4 2,-1.2 -0.704 14.7-145.8 -80.4 117.4 23.7 -13.8 -3.2 71 171 A C + 0 0 22 -2,-0.6 9,-1.0 9,-0.3 2,-0.4 -0.689 24.1 177.0 -91.8 90.8 20.2 -14.8 -4.2 72 172 A I B -B 79 0B 41 -2,-1.2 -46,-0.2 -46,-0.5 7,-0.2 -0.798 28.8-114.6 -99.3 135.8 20.5 -16.9 -7.4 73 173 A I - 0 0 33 5,-1.2 -48,-0.2 -2,-0.4 3,-0.1 -0.270 6.8-136.1 -71.5 149.3 17.4 -18.5 -9.0 74 174 A E S S+ 0 0 83 -50,-1.1 2,-1.3 1,-0.3 -1,-0.1 0.944 111.0 49.9 -68.1 -52.2 16.9 -22.3 -9.3 75 175 A T S S- 0 0 83 -51,-0.4 2,-3.4 1,-0.1 3,-0.4 -0.814 102.6-142.5 -80.1 95.5 15.7 -21.9 -12.8 76 176 A A + 0 0 86 -2,-1.3 -2,-0.1 1,-0.2 -1,-0.1 -0.157 60.1 131.0 -70.8 51.2 18.8 -19.7 -13.5 77 177 A D S S+ 0 0 108 -2,-3.4 2,-0.3 1,-0.1 -1,-0.2 0.734 82.1 12.6 -69.2 -23.1 17.1 -17.2 -15.8 78 178 A G - 0 0 42 -3,-0.4 -5,-1.2 2,-0.0 2,-0.2 -0.971 60.4-159.6-149.8 161.6 18.8 -14.6 -13.5 79 179 A L B -B 72 0B 82 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.736 6.9-163.0-150.8 96.0 21.5 -14.2 -10.8 80 180 A K - 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0 0 44 -2,-0.3 2,-0.4 -6,-0.2 -9,-0.1 -0.567 40.0-125.4 -83.6 147.1 58.9 10.4 10.3 164 157 B T - 0 0 27 -2,-0.2 2,-0.4 -33,-0.2 -33,-0.2 -0.796 18.5-157.7-100.8 132.0 55.2 9.3 10.4 165 158 B V - 0 0 77 -2,-0.4 2,-0.3 -12,-0.0 -31,-0.3 -0.897 6.1-164.8-111.4 134.1 52.5 11.4 12.1 166 159 B L + 0 0 61 -2,-0.4 -31,-0.1 -33,-0.2 3,-0.1 -0.862 30.3 132.0-117.2 151.8 49.1 10.0 13.3 167 160 B K + 0 0 101 -33,-0.6 2,-0.1 1,-0.5 -1,-0.1 0.258 55.7 67.5-156.4 -59.5 45.9 11.7 14.4 168 161 B K + 0 0 80 -33,-0.0 -1,-0.5 2,-0.0 -32,-0.5 -0.471 51.9 173.3 -79.1 150.1 42.7 10.3 12.9 169 162 B G - 0 0 34 -34,-0.2 -27,-0.1 -2,-0.1 -34,-0.1 -0.639 9.4-172.3-164.8 98.1 41.4 6.8 13.8 170 163 B E - 0 0 81 -2,-0.2 -32,-1.0 1,-0.1 -28,-0.0 -0.613 47.6 -72.3 -90.0 155.2 38.2 5.1 12.9 171 164 B P + 0 0 92 0, 0.0 -34,-0.1 0, 0.0 -1,-0.1 -0.145 65.5 143.6 -52.1 125.3 37.0 1.7 14.4 172 165 B V - 0 0 66 1,-0.2 4,-0.1 -3,-0.1 -35,-0.1 0.226 51.9 -89.9-126.7-110.7 38.9 -1.3 13.2 173 166 B D S S- 0 0 67 2,-0.5 -1,-0.2 -35,-0.1 3,-0.1 0.181 74.3 -42.2-139.0 -95.4 39.9 -4.5 15.2 174 167 B I S S+ 0 0 67 1,-0.2 -37,-0.3 -33,-0.0 2,-0.3 0.752 116.2 46.3-114.8 -52.1 43.1 -4.9 17.2 175 168 B A S S- 0 0 16 -39,-0.1 2,-0.6 -56,-0.0 -2,-0.5 -0.673 80.7-119.9 -97.3 152.9 46.0 -3.5 15.1 176 169 B G - 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