==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-12 4FGQ . COMPND 2 MOLECULE: PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR D.CHATTERJEE,C.D.BOYD,G.A.O'TOOLE,H.SONDERMANN . 366 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 2 0.5 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 2 1 1 2 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 0 0 2 0 2 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 0 0 0 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 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 56 A A 0 0 99 0, 0.0 157,-0.0 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 115.8 -7.1 -8.1 6.4 2 57 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 180,-0.1 -0.095 360.0-154.0 -55.1 142.2 -8.7 -7.3 3.0 3 58 A L - 0 0 134 178,-0.2 2,-0.4 91,-0.0 88,-0.1 -0.887 12.6-145.4-120.9 147.1 -12.4 -8.1 2.6 4 59 A I - 0 0 21 -2,-0.3 2,-0.3 87,-0.3 3,-0.1 -0.909 26.7-177.6-102.1 139.2 -14.6 -8.9 -0.3 5 60 A S > - 0 0 33 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.998 37.0-131.2-140.2 145.6 -18.2 -7.6 0.1 6 61 A V H > S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.861 111.2 54.7 -59.6 -34.2 -21.3 -7.9 -2.0 7 62 A E H > S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.917 108.9 45.2 -68.9 -42.2 -21.7 -4.1 -1.6 8 63 A K H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 114.0 52.1 -65.8 -37.8 -18.2 -3.3 -2.9 9 64 A I H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 104.8 53.6 -65.8 -43.4 -18.8 -5.8 -5.8 10 65 A Q H X S+ 0 0 99 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.829 110.5 48.3 -61.9 -31.8 -22.1 -4.3 -6.8 11 66 A K H < S+ 0 0 158 -4,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.830 109.1 52.3 -78.8 -33.4 -20.5 -0.9 -7.1 12 67 A L H >X S+ 0 0 45 -4,-1.7 3,-1.6 1,-0.2 4,-0.6 0.926 104.0 59.3 -63.0 -43.9 -17.6 -2.3 -9.1 13 68 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.886 101.1 53.6 -52.7 -45.1 -20.1 -3.9 -11.5 14 69 A Q T 3< S+ 0 0 118 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.626 101.5 59.5 -70.4 -12.7 -21.6 -0.5 -12.4 15 70 A S T <4 S+ 0 0 69 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.596 105.9 56.1 -89.5 -11.9 -18.2 0.9 -13.4 16 71 A Y S << S- 0 0 70 -3,-1.4 2,-0.3 -4,-0.6 60,-0.0 -0.578 73.6-145.2-110.1 176.9 -17.7 -1.8 -16.0 17 72 A Q >> + 0 0 133 -2,-0.2 4,-1.5 4,-0.0 3,-1.1 -0.821 50.5 3.8-135.3 173.8 -19.9 -2.8 -19.0 18 73 A G H 3> S- 0 0 49 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.132 124.5 -10.6 54.4-136.5 -20.9 -5.8 -21.1 19 74 A D H 3> S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.790 134.2 60.2 -69.6 -28.0 -19.7 -9.2 -19.9 20 75 A T H <> S+ 0 0 34 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.939 105.9 47.4 -65.6 -45.4 -17.3 -7.7 -17.4 21 76 A R H X S+ 0 0 81 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.928 111.3 52.6 -57.4 -45.6 -20.2 -6.0 -15.6 22 77 A K H X S+ 0 0 138 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.825 105.7 54.1 -59.8 -35.5 -22.1 -9.3 -15.7 23 78 A R H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.901 108.5 48.2 -67.7 -41.7 -19.2 -11.2 -14.2 24 79 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.947 112.8 48.1 -61.5 -47.6 -19.1 -8.8 -11.2 25 80 A T H X S+ 0 0 54 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 111.6 50.5 -60.7 -39.8 -22.9 -9.1 -10.7 26 81 A A H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.872 109.4 50.8 -65.6 -38.6 -22.6 -12.9 -10.9 27 82 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 112.3 46.9 -63.8 -46.7 -19.8 -12.9 -8.3 28 83 A G H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.908 112.1 49.8 -62.3 -43.7 -21.9 -10.8 -5.9 29 84 A N H X S+ 0 0 90 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.886 108.6 54.4 -63.6 -37.6 -24.9 -12.9 -6.5 30 85 A L H X S+ 0 0 18 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.947 109.5 46.6 -58.3 -50.8 -22.8 -16.0 -5.8 31 86 A I H >X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 3,-0.6 0.941 113.9 47.7 -60.3 -46.9 -21.6 -14.7 -2.4 32 87 A D H 3< S+ 0 0 71 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.893 111.8 50.9 -58.7 -40.7 -25.2 -13.6 -1.4 33 88 A S H 3< S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 109.5 50.0 -73.0 -22.7 -26.6 -17.0 -2.4 34 89 A L H X< S+ 0 0 2 -4,-1.4 3,-1.4 -3,-0.6 -1,-0.2 0.575 78.0 113.0 -98.6 -11.2 -24.0 -19.0 -0.4 35 90 A K T 3< S+ 0 0 81 -4,-1.0 62,-0.1 -3,-0.5 61,-0.1 -0.406 89.3 10.0 -58.5 135.1 -24.3 -17.3 2.9 36 91 A K T 3 S+ 0 0 205 60,-0.6 -1,-0.3 1,-0.2 61,-0.1 0.768 100.1 127.1 63.8 30.2 -25.8 -19.6 5.5 37 92 A K S < S- 0 0 97 -3,-1.4 -1,-0.2 59,-0.2 5,-0.1 -0.738 73.5 -75.7-108.3 161.4 -25.5 -22.7 3.3 38 93 A P > - 0 0 85 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.258 41.5-121.8 -57.2 143.6 -23.9 -26.0 4.2 39 94 A V H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.878 112.3 55.6 -55.7 -40.4 -20.0 -25.8 4.1 40 95 A K H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 109.7 46.3 -60.8 -40.7 -19.8 -28.6 1.6 41 96 A I H > S+ 0 0 49 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.885 110.5 53.1 -67.8 -39.8 -22.2 -26.6 -0.8 42 97 A Q H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.940 112.1 45.2 -61.3 -46.5 -20.2 -23.4 -0.2 43 98 A L H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.939 115.3 47.4 -60.7 -47.9 -17.0 -25.2 -1.2 44 99 A E H X S+ 0 0 76 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.911 114.7 43.8 -63.1 -43.9 -18.5 -26.9 -4.2 45 100 A K H X S+ 0 0 107 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.861 113.9 48.2 -78.4 -33.6 -20.2 -23.9 -5.7 46 101 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.939 115.1 48.9 -66.1 -42.3 -17.3 -21.4 -5.2 47 102 A N H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.959 115.7 40.9 -59.1 -52.5 -15.1 -24.1 -6.8 48 103 A S H X S+ 0 0 76 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.851 111.3 57.1 -69.3 -35.0 -17.4 -24.7 -9.8 49 104 A F H >< S+ 0 0 32 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.957 114.6 36.9 -59.8 -51.5 -18.2 -21.1 -10.3 50 105 A F H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.790 103.4 70.9 -76.3 -23.1 -14.6 -20.1 -10.7 51 106 A N H 3< S+ 0 0 34 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.665 88.8 66.0 -68.7 -12.1 -13.6 -23.2 -12.6 52 107 A Q T << S+ 0 0 135 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 0.503 84.7 97.1 -80.1 -11.2 -15.5 -21.9 -15.6 53 108 A F S < S- 0 0 21 -3,-1.9 2,-0.3 1,-0.1 26,-0.2 -0.207 91.0 -74.2 -79.2 171.8 -13.2 -18.9 -16.1 54 109 A N E -a 79 0A 111 24,-2.5 26,-2.1 1,-0.1 2,-0.6 -0.510 43.4-144.2 -68.1 126.2 -10.2 -18.6 -18.5 55 110 A Y E -a 80 0A 74 -2,-0.3 2,-0.3 24,-0.2 26,-0.2 -0.838 18.6-160.8 -96.8 118.0 -7.2 -20.6 -17.4 56 111 A E + 0 0 76 24,-3.1 26,-0.4 -2,-0.6 2,-0.3 -0.713 13.2 176.4-101.9 146.7 -3.9 -18.9 -18.2 57 112 A T - 0 0 72 -2,-0.3 7,-0.2 24,-0.1 6,-0.1 -0.972 41.8 -95.6-138.4 155.5 -0.4 -20.3 -18.5 58 113 A D > - 0 0 40 5,-3.3 4,-2.3 -2,-0.3 5,-0.1 -0.570 31.6-138.8 -66.9 128.9 2.9 -18.8 -19.5 59 114 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.679 99.1 43.2 -65.2 -17.1 3.4 -19.6 -23.2 60 115 A I T 4 S+ 0 0 21 3,-0.1 298,-0.0 288,-0.0 -2,-0.0 0.851 127.1 23.6 -99.0 -42.7 7.1 -20.4 -22.6 61 116 A T T 4 S- 0 0 27 2,-0.1 3,-0.1 3,-0.1 -1,-0.0 0.724 89.0-134.3 -94.5 -26.1 7.1 -22.5 -19.3 62 117 A G S < S+ 0 0 29 -4,-2.3 2,-0.1 1,-0.3 53,-0.0 0.529 75.9 97.0 79.3 6.5 3.6 -23.8 -19.5 63 118 A A S S- 0 0 15 1,-0.2 -5,-3.3 -5,-0.1 -1,-0.3 -0.263 82.0 -49.1-113.7-161.8 3.3 -22.8 -15.8 64 119 A S - 0 0 26 52,-0.3 -1,-0.2 -7,-0.2 2,-0.2 -0.234 53.3-110.5 -74.8 161.4 2.0 -19.8 -13.7 65 120 A D - 0 0 74 2,-0.2 -1,-0.1 -9,-0.1 18,-0.1 -0.536 23.2-121.3 -83.8 154.7 2.8 -16.2 -14.4 66 121 A D S S+ 0 0 60 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.827 91.6 82.5 -65.4 -31.4 5.0 -14.2 -11.9 67 122 A Y S S- 0 0 99 1,-0.0 2,-0.5 106,-0.0 -2,-0.2 -0.604 71.6-146.3 -81.6 131.0 2.2 -11.7 -11.2 68 123 A W - 0 0 9 -2,-0.3 2,-0.3 105,-0.1 -2,-0.1 -0.861 16.9-139.5 -97.1 124.4 -0.4 -12.7 -8.6 69 124 A K - 0 0 14 -2,-0.5 18,-0.1 12,-0.1 19,-0.1 -0.640 6.2-132.2 -86.9 135.5 -3.9 -11.3 -9.4 70 125 A S > - 0 0 9 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.391 37.2-100.9 -67.8 160.2 -6.3 -9.8 -6.8 71 126 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.888 125.0 52.3 -50.9 -44.1 -9.9 -11.1 -7.1 72 127 A V H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 108.9 49.5 -61.6 -40.7 -11.0 -7.9 -8.8 73 128 A E H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 6,-0.3 0.885 108.6 53.5 -65.1 -38.6 -8.2 -8.3 -11.4 74 129 A F H X>S+ 0 0 1 -4,-2.2 5,-1.7 2,-0.2 4,-1.4 0.933 111.4 46.0 -58.8 -48.0 -9.2 -11.9 -12.0 75 130 A I H <5S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 3,-0.2 0.928 112.8 48.8 -63.5 -45.7 -12.8 -10.8 -12.7 76 131 A V H <5S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.923 116.2 43.3 -59.0 -43.7 -11.7 -7.9 -15.0 77 132 A D H <5S- 0 0 84 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.686 108.2-124.6 -77.7 -19.0 -9.4 -10.2 -17.0 78 133 A G T <5S- 0 0 8 -4,-1.4 -24,-2.5 -3,-0.2 2,-0.3 0.666 77.0 -12.4 79.8 19.7 -12.0 -13.1 -17.1 79 134 A G E < -a 54 0A 0 -5,-1.7 2,-0.3 -6,-0.3 -2,-0.2 -0.979 60.2-161.2 152.2-161.1 -9.5 -15.5 -15.5 80 135 A G E -a 55 0A 0 -26,-2.1 -24,-3.1 -2,-0.3 2,-0.1 -0.954 39.5 -50.5 171.6-167.5 -5.9 -16.1 -14.6 81 136 A D > - 0 0 2 -2,-0.3 4,-2.2 -26,-0.2 5,-0.2 -0.239 65.2 -84.5 -89.9-176.8 -3.4 -18.8 -13.8 82 137 A C H > S+ 0 0 4 -26,-0.4 4,-1.8 1,-0.2 5,-0.1 0.841 130.2 51.6 -59.0 -33.5 -3.8 -21.6 -11.2 83 138 A E H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 108.6 51.1 -69.0 -42.5 -2.6 -19.4 -8.4 84 139 A D H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.874 108.1 52.3 -63.5 -38.2 -5.1 -16.7 -9.4 85 140 A F H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.920 110.6 48.0 -61.8 -44.3 -8.0 -19.3 -9.3 86 141 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.894 110.2 53.2 -65.5 -37.5 -6.9 -20.4 -5.8 87 142 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.933 110.7 43.5 -64.9 -47.8 -6.7 -16.8 -4.6 88 143 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.887 112.9 53.1 -69.7 -34.2 -10.2 -15.7 -5.7 89 144 A K H X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.921 109.6 50.6 -61.4 -43.4 -11.7 -19.0 -4.4 90 145 A Y H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.963 112.8 42.9 -58.5 -56.2 -10.1 -18.3 -1.1 91 146 A F H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -87,-0.3 0.874 114.5 51.5 -63.3 -33.9 -11.4 -14.7 -0.7 92 147 A T H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.920 108.8 50.0 -70.9 -40.8 -14.8 -15.7 -1.9 93 148 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.7 0.891 110.0 50.7 -64.0 -39.4 -15.1 -18.5 0.6 94 149 A V H ><5S+ 0 0 46 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.930 108.5 54.7 -61.2 -41.6 -14.1 -16.2 3.4 95 150 A A H 3<5S+ 0 0 24 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.798 106.6 49.1 -62.4 -31.4 -16.8 -13.8 2.2 96 151 A V H 3<5S- 0 0 7 -4,-1.4 -60,-0.6 -3,-0.2 -1,-0.3 0.568 129.3 -91.5 -89.7 -7.1 -19.5 -16.4 2.4 97 152 A G T <<5S+ 0 0 53 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.456 75.2 141.2 116.7 1.4 -18.5 -17.4 5.9 98 153 A V < - 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