==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 02-MAY-12 4EYY . COMPND 2 MOLECULE: ICMR; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR J.D.FARELLI,J.GUMBART,I.V.AKEY,W.AMYOT,A.D.HEMPSTEAD,J.F.HEA . 247 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 66.4 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 . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 0 0 1 0 0 0 0 1 0 1 1 0 0 1 1 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 . 5 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 R D 0 0 213 0, 0.0 2,-0.4 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 -82.3 -7.2 40.5 -18.3 2 29 R V - 0 0 23 247,-0.1 2,-0.2 106,-0.1 247,-0.1 -0.765 360.0-174.9-102.3 135.2 -3.7 41.6 -17.2 3 30 R T - 0 0 75 -2,-0.4 110,-0.2 1,-0.2 109,-0.2 -0.744 37.1 -73.3-117.4 170.4 -1.6 44.5 -18.7 4 31 R D - 0 0 41 -2,-0.2 2,-0.4 109,-0.2 -1,-0.2 0.012 54.0 -94.7 -55.8 163.3 1.9 45.7 -18.1 5 32 R A - 0 0 0 101,-0.1 60,-0.5 60,-0.1 2,-0.2 -0.691 48.2-178.3 -77.1 136.1 2.9 47.6 -15.0 6 33 R T B > -A 64 0A 38 -2,-0.4 4,-2.6 58,-0.1 5,-0.2 -0.725 47.0 -94.1-121.2 175.2 2.8 51.4 -15.4 7 34 R L H > S+ 0 0 19 56,-2.0 4,-1.9 -2,-0.2 5,-0.2 0.892 128.7 51.1 -52.1 -39.7 3.6 54.4 -13.2 8 35 R G H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 109.8 45.9 -69.0 -42.6 -0.1 54.4 -12.4 9 36 R S H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.846 110.4 55.8 -70.0 -31.0 -0.2 50.7 -11.4 10 37 R V H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-1.4 0.924 112.7 41.5 -65.4 -43.3 3.0 51.1 -9.4 11 38 R Y H <>S+ 0 0 58 -4,-1.9 5,-1.8 3,-0.2 -1,-0.2 0.832 121.3 42.3 -70.9 -31.8 1.4 53.9 -7.4 12 39 R S H <5S+ 0 0 77 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.799 125.7 29.1 -86.1 -32.2 -1.9 52.1 -7.1 13 40 R E H <5S+ 0 0 46 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.420 134.9 18.0-118.6 -4.9 -0.7 48.6 -6.3 14 41 R I T X5S+ 0 0 2 -4,-1.4 4,-2.1 -5,-0.2 -3,-0.2 0.528 124.7 40.8-124.4 -57.7 2.6 49.1 -4.5 15 42 R I H > S+ 0 0 35 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.929 113.5 51.5 -57.0 -42.7 -1.0 49.8 -0.1 18 45 R V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.906 109.9 48.8 -63.8 -38.7 2.5 50.2 1.4 19 46 R K H X S+ 0 0 110 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.957 110.7 50.1 -62.5 -48.1 1.6 53.6 2.7 20 47 R D H X S+ 0 0 109 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.927 110.6 52.1 -51.7 -43.6 -1.7 52.3 4.1 21 48 R C H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.917 105.4 53.0 -60.5 -46.9 0.5 49.6 5.8 22 49 R I H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.934 106.4 54.4 -53.4 -47.9 2.9 52.2 7.3 23 50 R L H X S+ 0 0 128 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.888 111.1 46.5 -51.1 -41.8 -0.2 53.9 8.8 24 51 R T H X S+ 0 0 71 -4,-1.6 4,-1.9 2,-0.2 3,-0.4 0.916 110.6 48.6 -75.5 -42.0 -1.1 50.6 10.4 25 52 R V H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.838 106.3 60.5 -65.1 -29.4 2.3 49.7 11.7 26 53 R A H X S+ 0 0 46 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.840 104.2 49.4 -65.7 -33.8 2.4 53.2 13.2 27 54 R K H < S+ 0 0 137 -4,-1.1 4,-0.5 -3,-0.4 3,-0.3 0.947 108.7 50.8 -68.0 -48.3 -0.6 52.4 15.2 28 55 R A H < S+ 0 0 19 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.719 111.0 52.5 -60.1 -20.2 0.9 49.1 16.4 29 56 R V H >< S+ 0 0 30 -4,-1.1 3,-0.6 1,-0.2 6,-0.3 0.825 98.7 60.6 -84.0 -35.6 3.9 51.3 17.4 30 57 R S T 3< S+ 0 0 74 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.516 98.4 61.0 -70.8 -4.6 1.9 53.8 19.4 31 58 R F T 3 S+ 0 0 150 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 127.4 9.0 -86.9 -33.4 0.9 50.9 21.7 32 59 R N S X S- 0 0 102 -3,-0.6 3,-2.4 -4,-0.5 -1,-0.2 -0.582 82.3-156.1-144.0 72.5 4.4 50.2 22.7 33 60 R P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.207 82.4 30.4 -51.2 146.7 6.7 53.0 21.3 34 61 R G T 3 S+ 0 0 64 1,-0.3 2,-0.5 2,-0.1 3,-0.1 0.382 73.1 147.5 83.3 -6.5 10.2 51.6 21.0 35 62 R G <> - 0 0 16 -3,-2.4 4,-2.0 -6,-0.3 -1,-0.3 -0.570 43.6-147.4 -57.1 115.6 9.1 48.1 20.3 36 63 R K H > S+ 0 0 139 -2,-0.5 4,-3.3 1,-0.2 5,-0.2 0.918 86.5 52.8 -61.8 -50.7 12.1 47.3 18.0 37 64 R D H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 112.1 44.1 -53.9 -50.0 10.5 44.9 15.6 38 65 R N H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 114.6 49.5 -63.4 -43.5 7.5 47.2 14.7 39 66 R T H X S+ 0 0 59 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.906 110.0 52.1 -61.6 -42.8 9.8 50.3 14.4 40 67 R D H X S+ 0 0 49 -4,-3.3 4,-2.2 1,-0.2 3,-0.2 0.915 106.7 54.1 -55.8 -44.7 12.1 48.2 12.2 41 68 R A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.921 105.4 52.0 -61.2 -42.6 9.1 47.4 10.0 42 69 R V H X S+ 0 0 39 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.853 110.2 50.6 -59.5 -31.6 8.2 51.1 9.6 43 70 R E H X S+ 0 0 129 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.879 112.0 45.5 -75.4 -37.4 11.8 51.7 8.4 44 71 R V H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 114.5 47.1 -73.8 -43.5 11.7 48.9 5.9 45 72 R L H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.937 113.5 49.7 -59.3 -44.4 8.3 49.8 4.5 46 73 R T H X S+ 0 0 67 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.900 112.7 45.8 -66.3 -43.3 9.4 53.5 4.3 47 74 R E H X S+ 0 0 67 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.935 109.5 56.2 -60.2 -50.3 12.7 52.7 2.5 48 75 R L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.907 109.9 45.8 -49.2 -45.4 10.8 50.3 0.2 49 76 R N H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.887 109.9 50.5 -73.3 -39.3 8.5 53.1 -0.9 50 77 R T H X S+ 0 0 77 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.864 112.8 48.7 -68.7 -31.4 11.1 55.8 -1.4 51 78 R K H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.907 115.4 43.6 -69.8 -40.8 13.1 53.5 -3.6 52 79 R V H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.867 113.6 50.1 -74.2 -36.4 10.0 52.5 -5.6 53 80 R E H X S+ 0 0 58 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.918 110.2 50.9 -68.8 -39.8 8.7 56.0 -5.9 54 81 R R H <>S+ 0 0 137 -4,-2.0 5,-2.4 -5,-0.2 -2,-0.2 0.925 111.9 48.3 -55.8 -48.0 12.2 57.1 -7.1 55 82 R A H ><5S+ 0 0 9 -4,-2.0 3,-0.7 3,-0.2 -1,-0.2 0.861 110.6 50.8 -63.5 -36.0 12.1 54.3 -9.6 56 83 R A H 3<5S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.887 113.4 43.1 -72.2 -39.8 8.6 55.3 -10.8 57 84 R L T 3<5S- 0 0 37 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.284 111.2-124.9 -88.7 7.0 9.4 58.9 -11.3 58 85 R N T < 5 0 0 107 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.865 360.0 360.0 53.3 47.5 12.7 57.9 -12.9 59 86 R Q < 0 0 131 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.0 -0.658 360.0 360.0 -88.2 360.0 14.9 59.9 -10.7 60 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 1 Q M 0 0 180 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 28.7 5.9 61.3 -15.2 62 2 Q K - 0 0 135 2,-0.1 -55,-0.1 1,-0.1 -4,-0.0 -0.751 360.0-138.2 -85.1 150.3 5.6 59.2 -18.3 63 3 Q D S S+ 0 0 87 -2,-0.3 -56,-2.0 -57,-0.1 -55,-0.2 0.815 75.0 89.1 -84.2 -30.6 3.4 56.2 -17.7 64 4 Q Q B -A 6 0A 136 -58,-0.2 2,-0.4 -57,-0.1 -2,-0.1 -0.447 69.2-141.9 -73.1 139.8 5.4 53.6 -19.6 65 5 Q L - 0 0 8 -60,-0.5 2,-0.1 -2,-0.1 -60,-0.1 -0.872 7.1-137.9-108.6 133.8 8.1 51.8 -17.5 66 6 Q S > - 0 0 38 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.378 28.0-108.3 -83.2 163.1 11.5 50.7 -18.8 67 7 Q D H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 120.5 53.8 -53.6 -43.9 13.1 47.4 -18.0 68 8 Q E H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 108.9 47.6 -64.9 -39.4 15.6 49.1 -15.7 69 9 Q Q H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 111.6 50.8 -62.1 -42.4 12.8 50.8 -13.7 70 10 Q K H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.876 111.7 48.9 -65.8 -36.2 11.0 47.4 -13.5 71 11 Q E H X S+ 0 0 104 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.906 109.1 51.2 -68.7 -42.4 14.2 45.9 -12.3 72 12 Q T H X S+ 0 0 72 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.889 111.6 47.8 -64.5 -39.1 14.8 48.5 -9.7 73 13 Q I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.945 110.3 50.9 -67.6 -49.0 11.3 48.1 -8.3 74 14 Q L H X S+ 0 0 31 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.933 110.3 50.8 -53.2 -47.3 11.6 44.3 -8.2 75 15 Q K H X S+ 0 0 107 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.915 108.1 51.9 -56.1 -45.5 14.9 44.7 -6.3 76 16 Q A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.937 112.3 47.0 -57.8 -44.5 13.3 47.0 -3.8 77 17 Q L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.940 112.9 47.4 -64.2 -47.6 10.6 44.5 -3.2 78 18 Q N H X S+ 0 0 44 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.939 114.2 47.6 -56.3 -48.6 13.0 41.5 -2.9 79 19 Q D H X S+ 0 0 53 -4,-3.0 4,-1.8 1,-0.2 5,-0.3 0.920 112.2 48.8 -62.6 -45.5 15.2 43.4 -0.4 80 20 Q A H X S+ 0 0 3 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.907 115.6 44.0 -61.6 -43.3 12.3 44.6 1.7 81 21 Q I H < S+ 0 0 27 -4,-2.4 5,-0.2 1,-0.2 -2,-0.2 0.871 114.5 49.8 -68.1 -39.0 10.8 41.1 1.9 82 22 Q E H < S+ 0 0 149 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.759 121.3 30.8 -74.0 -26.5 14.2 39.5 2.5 83 23 Q K H < S+ 0 0 87 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.623 91.0 107.1-114.1 -12.5 15.3 41.8 5.4 84 24 Q G S < S- 0 0 12 -4,-1.6 2,-1.4 -5,-0.3 3,-0.3 -0.217 80.3-110.8 -64.9 157.9 12.1 42.8 7.1 85 25 Q P > + 0 0 11 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.197 68.4 138.9 -78.5 44.6 11.1 41.5 10.6 86 26 Q W T 3 + 0 0 19 -2,-1.4 10,-0.3 1,-0.3 11,-0.1 0.535 67.6 48.8 -78.8 -2.8 8.2 39.5 9.0 87 27 Q D T 3 S+ 0 0 102 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.084 91.0 81.4-119.4 28.9 8.9 36.4 11.1 88 28 Q K S < S+ 0 0 116 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.469 99.8 8.3-111.1 -3.9 9.0 38.1 14.4 89 29 Q S > - 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