==== 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 PROTEIN BINDING 15-OCT-09 3K9I . COMPND 2 MOLECULE: BH0479 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 73.6 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 . 0 0.0 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 . 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 . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 1 0 1 1 0 0 0 0 0 2 1 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 54 A A 0 0 85 0, 0.0 3,-0.4 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 129.8 7.5 62.5 4.4 2 55 A Q + 0 0 177 1,-0.2 4,-0.4 2,-0.1 28,-0.0 -0.123 360.0 111.5 -88.1 32.2 8.5 63.3 8.1 3 56 A A > + 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.468 40.0 88.0 -96.6 -8.7 4.8 62.4 8.5 4 57 A V H > S+ 0 0 23 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.959 92.1 45.0 -61.3 -52.2 5.2 59.2 10.4 5 58 A P H > S+ 0 0 56 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.874 111.5 56.0 -55.9 -36.4 5.3 60.8 13.8 6 59 A Y H > S+ 0 0 153 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.951 113.8 37.8 -60.6 -52.7 2.3 63.0 12.8 7 60 A Y H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.845 115.3 55.4 -68.1 -37.4 0.2 60.1 11.9 8 61 A E H X S+ 0 0 101 -4,-3.0 4,-3.0 -5,-0.2 3,-0.4 0.993 111.7 41.9 -57.9 -62.9 1.5 58.0 14.9 9 62 A K H < S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.8 55.5 -50.2 -46.2 0.6 60.7 17.5 10 63 A A H < S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.902 112.4 41.9 -53.2 -47.6 -2.7 61.2 15.7 11 64 A I H < S+ 0 0 38 -4,-2.4 2,-2.6 -3,-0.4 -2,-0.2 0.909 101.5 69.6 -68.1 -48.4 -3.6 57.5 16.0 12 65 A A S < S+ 0 0 82 -4,-3.0 2,-0.2 -5,-0.2 -1,-0.2 -0.446 100.0 62.9 -65.9 68.3 -2.3 57.3 19.6 13 66 A S S S- 0 0 76 -2,-2.6 0, 0.0 2,-0.1 0, 0.0 -0.839 109.7 -61.2 172.6 148.6 -5.3 59.5 20.6 14 67 A G + 0 0 77 -2,-0.2 2,-0.3 1,-0.0 -2,-0.0 -0.198 69.6 158.9 -46.6 128.7 -9.1 59.1 20.5 15 68 A L + 0 0 43 -4,-0.0 2,-0.1 4,-0.0 -2,-0.1 -0.926 13.9 178.2-162.6 143.2 -10.0 58.7 16.8 16 69 A Q >> - 0 0 138 -2,-0.3 4,-3.6 4,-0.0 5,-0.8 -0.257 42.3 -20.3-129.9-157.6 -12.9 57.2 14.8 17 70 A G H >5S+ 0 0 42 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.713 127.3 0.4 -19.4-102.4 -14.6 56.4 11.4 18 71 A K H >5S+ 0 0 144 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.968 131.5 63.1 -54.6 -55.2 -13.2 58.6 8.6 19 72 A D H >5S+ 0 0 82 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.822 112.9 28.8 -41.1 -59.5 -10.8 60.3 11.0 20 73 A L H >X5S+ 0 0 15 -4,-3.6 4,-2.3 2,-0.2 3,-0.6 0.858 114.1 61.9 -78.0 -41.5 -8.7 57.2 12.1 21 74 A A H 3XS+ 0 0 17 -4,-2.8 5,-2.8 2,-0.2 4,-0.4 0.903 113.9 49.8 -60.0 -42.1 5.8 53.9 5.1 32 85 A R H ><5S+ 0 0 54 -4,-2.8 3,-2.2 -5,-0.2 -2,-0.2 0.974 112.3 46.1 -66.2 -49.9 5.4 52.4 1.6 33 86 A T H 3<5S+ 0 0 101 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.4 59.1 -64.6 -28.0 6.7 55.4 -0.1 34 87 A L T 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.569 121.0-111.5 -70.0 -9.5 9.6 55.5 2.4 35 88 A G T < 5S+ 0 0 37 -3,-2.2 2,-1.2 -4,-0.4 3,-0.2 0.550 82.2 127.8 88.8 8.7 10.4 51.9 1.2 36 89 A E >< + 0 0 86 -5,-2.8 4,-3.0 1,-0.2 5,-0.2 -0.582 25.3 162.2 -98.3 68.0 9.4 50.4 4.5 37 90 A Y H > + 0 0 87 -2,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.874 70.0 49.9 -63.0 -42.8 7.1 47.9 2.9 38 91 A R H > S+ 0 0 203 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.936 113.5 46.6 -62.3 -44.0 6.8 45.5 5.9 39 92 A K H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.934 113.5 50.0 -62.1 -43.4 6.0 48.5 8.2 40 93 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.886 109.7 51.4 -58.1 -42.7 3.5 49.7 5.5 41 94 A E H X S+ 0 0 45 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.922 108.6 50.1 -64.3 -45.5 1.9 46.2 5.4 42 95 A A H X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.983 114.5 44.1 -55.4 -59.7 1.5 46.0 9.2 43 96 A V H X S+ 0 0 21 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.869 116.9 44.3 -53.9 -47.0 -0.2 49.4 9.4 44 97 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.885 109.0 55.6 -73.3 -41.5 -2.5 48.9 6.4 45 98 A A H X S+ 0 0 32 -4,-2.8 4,-3.2 -5,-0.2 -1,-0.2 0.943 108.2 52.4 -48.3 -47.2 -3.5 45.4 7.4 46 99 A N H X S+ 0 0 63 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.863 109.1 48.2 -60.1 -40.6 -4.6 46.9 10.7 47 100 A G H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.940 112.4 47.2 -64.6 -48.1 -6.7 49.5 8.9 48 101 A V H < S+ 0 0 34 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.914 111.9 52.4 -63.3 -39.3 -8.4 47.0 6.6 49 102 A K H < S+ 0 0 160 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.948 118.1 36.7 -58.4 -49.0 -9.0 44.8 9.7 50 103 A Q H < S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.740 129.6 30.0 -77.3 -28.7 -10.6 47.8 11.6 51 104 A F >< + 0 0 40 -4,-2.9 3,-2.2 -5,-0.1 -1,-0.3 -0.567 67.8 168.8-130.5 67.2 -12.4 49.4 8.7 52 105 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.727 76.7 54.7 -57.2 -23.8 -13.2 46.5 6.4 53 106 A N T 3 S+ 0 0 143 -3,-0.1 2,-1.1 1,-0.1 -5,-0.1 0.332 78.7 104.4 -89.3 2.7 -15.6 48.6 4.2 54 107 A H <> - 0 0 49 -3,-2.2 4,-1.1 1,-0.2 3,-0.5 -0.718 50.3-172.8 -91.2 94.6 -13.0 51.4 3.5 55 108 A Q H > S+ 0 0 51 -2,-1.1 4,-2.5 1,-0.2 3,-0.2 0.839 77.0 62.0 -64.2 -36.4 -12.0 50.6 -0.1 56 109 A A H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 101.9 53.5 -54.2 -45.7 -9.1 53.1 -0.4 57 110 A L H > S+ 0 0 0 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.874 107.5 51.0 -57.5 -38.4 -7.3 51.2 2.4 58 111 A R H X S+ 0 0 34 -4,-1.1 4,-2.9 -3,-0.2 -1,-0.2 0.940 108.0 52.5 -65.9 -43.7 -7.6 48.0 0.4 59 112 A V H X S+ 0 0 42 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.961 112.4 45.0 -54.3 -51.5 -6.2 49.8 -2.7 60 113 A F H X S+ 0 0 48 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.899 110.2 53.2 -62.7 -40.2 -3.2 50.9 -0.7 61 114 A Y H X S+ 0 0 29 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.930 107.4 54.2 -55.6 -46.4 -2.7 47.5 0.9 62 115 A A H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.924 104.9 53.2 -52.6 -44.2 -2.8 46.1 -2.7 63 116 A X H X S+ 0 0 69 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.914 111.6 45.9 -62.7 -40.0 0.1 48.6 -3.6 64 117 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.899 106.4 57.1 -64.5 -45.6 2.1 47.2 -0.7 65 118 A L H X>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 4,-0.6 0.926 107.2 51.5 -55.5 -42.0 1.4 43.7 -1.5 66 119 A Y H ><5S+ 0 0 143 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.945 108.7 49.0 -54.7 -52.0 2.9 44.5 -4.9 67 120 A N H 3<5S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.859 109.9 52.1 -61.7 -36.8 6.1 46.0 -3.4 68 121 A L H 3<5S- 0 0 50 -4,-2.6 -1,-0.3 -31,-0.1 -2,-0.2 0.540 118.5-113.5 -75.2 -8.4 6.4 42.9 -1.2 69 122 A G T <<5S+ 0 0 32 -3,-1.5 2,-1.2 -4,-0.6 3,-0.2 0.707 76.7 133.3 84.5 19.8 6.2 40.7 -4.3 70 123 A R >< + 0 0 95 -5,-2.8 4,-2.0 1,-0.2 -1,-0.2 -0.617 24.6 158.1 -96.9 66.6 2.8 39.1 -3.2 71 124 A Y H > + 0 0 137 -2,-1.2 4,-3.0 1,-0.2 5,-0.3 0.923 62.4 53.0 -66.5 -46.6 1.6 39.7 -6.7 72 125 A E H > S+ 0 0 82 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.955 111.5 46.0 -55.2 -50.6 -1.2 37.2 -6.7 73 126 A Q H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 113.9 49.4 -62.4 -35.3 -2.8 38.6 -3.6 74 127 A G H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.950 112.5 45.1 -69.9 -49.8 -2.5 42.2 -4.7 75 128 A V H X S+ 0 0 64 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.893 111.7 55.0 -58.5 -39.2 -4.0 41.6 -8.1 76 129 A E H X S+ 0 0 47 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.965 109.8 46.8 -57.6 -47.6 -6.8 39.5 -6.5 77 130 A L H X S+ 0 0 22 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.877 111.4 49.2 -67.5 -36.5 -7.6 42.4 -4.2 78 131 A L H X S+ 0 0 72 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.926 111.8 49.5 -71.9 -38.7 -7.6 45.0 -7.0 79 132 A L H X S+ 0 0 44 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.897 110.4 50.6 -63.5 -39.9 -9.9 42.8 -9.1 80 133 A K H X S+ 0 0 51 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.933 110.7 49.6 -65.2 -38.8 -12.2 42.3 -6.1 81 134 A I H X S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 112.0 47.6 -64.4 -44.2 -12.3 46.1 -5.6 82 135 A I H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.950 113.7 48.1 -58.4 -53.0 -13.1 46.8 -9.3 83 136 A A H < S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.6 42.9 -56.5 -40.1 -15.8 44.1 -9.2 84 137 A E H < S+ 0 0 92 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.760 128.5 23.0 -85.0 -19.5 -17.4 45.5 -6.1 85 138 A T H < S+ 0 0 79 -4,-1.9 2,-0.3 -3,-0.3 -2,-0.2 0.408 81.8 124.8-129.0 2.4 -17.2 49.2 -6.8 86 139 A S < - 0 0 28 -4,-2.0 6,-0.1 -5,-0.2 -4,-0.0 -0.549 40.5-160.7 -80.9 129.3 -17.0 50.0 -10.6 87 140 A D + 0 0 157 -2,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.853 58.3 113.2 -53.9 -48.1 -19.5 52.3 -12.3 88 141 A D > - 0 0 70 1,-0.1 4,-2.6 3,-0.1 5,-0.2 -0.054 62.4-146.4 -53.4 124.7 -18.8 50.9 -15.7 89 142 A E H > S+ 0 0 171 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.887 100.0 52.5 -46.7 -49.9 -21.6 48.9 -17.5 90 143 A T H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.920 110.3 47.0 -59.5 -45.9 -19.1 46.6 -19.2 91 144 A I H >4 S+ 0 0 47 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.940 111.4 50.4 -66.5 -44.7 -17.3 45.7 -15.9 92 145 A Q H >< S+ 0 0 115 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.887 104.9 58.4 -59.1 -37.1 -20.6 45.1 -14.1 93 146 A S H 3< S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.877 116.0 35.4 -57.2 -34.7 -21.6 42.8 -17.0 94 147 A Y T S+ 0 0 73 -3,-1.0 4,-2.8 -4,-0.5 5,-0.3 0.860 77.3 47.1 -44.4 -50.2 -18.6 41.2 -12.4 96 149 A Q H > S+ 0 0 142 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.918 112.6 49.7 -65.4 -40.8 -19.2 37.5 -11.7 97 150 A A H > S+ 0 0 35 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.921 112.3 48.0 -58.3 -46.1 -16.4 36.5 -14.1 98 151 A I H X S+ 0 0 32 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.971 112.9 47.0 -63.5 -52.9 -14.0 38.9 -12.4 99 152 A L H < S+ 0 0 40 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.817 114.7 49.6 -54.7 -34.0 -14.8 37.8 -8.9 100 153 A F H < S+ 0 0 98 -4,-1.9 3,-0.5 -5,-0.3 -1,-0.2 0.899 113.3 42.1 -74.4 -44.4 -14.5 34.2 -10.0 101 154 A Y H >< S+ 0 0 108 -4,-2.7 3,-2.3 1,-0.2 4,-0.3 0.787 94.9 86.5 -74.3 -25.6 -11.1 34.5 -11.7 102 155 A A T 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.760 99.1 29.9 -48.9 -38.6 -9.7 36.8 -8.9 103 156 A D T 3 S+ 0 0 74 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.215 123.1 52.2-108.6 19.4 -8.5 34.0 -6.6 104 157 A K X + 0 0 74 -3,-2.3 3,-2.7 3,-0.1 -2,-0.2 0.081 62.4 128.9-136.2 18.7 -7.8 31.5 -9.4 105 158 A L T 3 S+ 0 0 76 -3,-0.3 -3,-0.1 -4,-0.3 -2,-0.1 0.812 75.6 52.0 -56.0 -36.6 -5.6 33.5 -11.8 106 159 A D T 3 S+ 0 0 124 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.442 92.4 101.1 -74.8 -4.2 -2.9 30.8 -12.0 107 160 A E < - 0 0 145 -3,-2.7 2,-0.3 -6,-0.2 -3,-0.1 -0.573 48.9-176.1 -88.9 154.9 -5.5 28.1 -12.9 108 161 A T - 0 0 134 -2,-0.2 2,-0.2 0, 0.0 -2,-0.0 -0.983 24.7-112.9-145.3 147.8 -6.2 26.8 -16.5 109 162 A W 0 0 216 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.560 360.0 360.0 -81.6 149.5 -8.7 24.4 -18.2 110 163 A K 0 0 159 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.733 360.0 360.0 -94.0 360.0 -7.5 21.0 -19.8