==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 20-FEB-07 2OXO . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED PHAGE; . AUTHOR H.B.KAMADURAI,R.JAIN,M.P.FOSTER . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 78.5 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 . 2 2.2 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 0 0 0 0 0 0 1 0 1 0 1 0 0 1 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 . 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 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 74 A M 0 0 78 0, 0.0 42,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 113.5 30.2 -12.9 20.5 2 75 A T B > -A 42 0A 35 40,-0.3 4,-2.5 41,-0.1 5,-0.2 -0.571 360.0-106.6 -96.4 160.7 29.7 -9.5 19.0 3 76 A L H > S+ 0 0 1 38,-2.8 4,-2.9 2,-0.2 5,-0.2 0.914 115.5 46.7 -52.2 -55.1 27.3 -8.6 16.3 4 77 A H H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 114.3 49.6 -63.2 -38.2 29.7 -8.1 13.3 5 78 A S H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 112.0 49.0 -58.5 -40.9 31.5 -11.4 14.2 6 79 A W H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 107.0 54.2 -69.4 -40.7 28.1 -13.1 14.4 7 80 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.909 104.7 56.1 -56.0 -42.6 27.0 -11.7 11.0 8 81 A D H X S+ 0 0 74 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.945 112.5 41.4 -52.0 -51.2 30.3 -13.2 9.6 9 82 A R H X S+ 0 0 118 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.822 110.9 56.6 -65.4 -34.1 29.1 -16.6 10.9 10 83 A Y H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.851 99.0 60.0 -70.9 -33.4 25.5 -16.0 9.8 11 84 A E H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.865 106.1 49.8 -58.6 -34.7 26.6 -15.5 6.2 12 85 A K H X S+ 0 0 80 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.866 107.7 51.3 -74.8 -34.4 28.1 -19.0 6.3 13 86 A I H X S+ 0 0 43 -4,-1.5 4,-0.8 2,-0.2 3,-0.3 0.930 110.9 49.8 -63.9 -44.6 24.9 -20.5 7.7 14 87 A L H >X S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 4,-0.6 0.936 106.5 55.5 -62.5 -42.6 23.0 -18.7 4.8 15 88 A A H 3< S+ 0 0 71 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.844 109.8 46.8 -56.4 -34.4 25.5 -20.2 2.3 16 89 A S H 3< S+ 0 0 110 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.534 93.4 79.2 -86.4 -11.7 24.7 -23.7 3.5 17 90 A R H << S- 0 0 96 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.795 99.3-122.7 -66.5 -31.6 20.9 -23.3 3.5 18 91 A G < + 0 0 72 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.1 0.900 46.1 172.6 87.4 44.1 20.6 -23.8 -0.2 19 92 A I - 0 0 49 -5,-0.5 -1,-0.2 1,-0.1 5,-0.1 -0.675 40.4 -93.4 -90.7 139.7 18.9 -20.5 -1.1 20 93 A K > - 0 0 91 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.101 38.7-114.6 -45.5 144.6 18.3 -19.4 -4.7 21 94 A Q H > S+ 0 0 177 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.902 113.5 48.2 -55.1 -49.5 21.1 -17.1 -6.0 22 95 A K H > S+ 0 0 183 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 113.1 49.5 -59.3 -42.8 18.9 -13.9 -6.3 23 96 A T H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.929 108.8 51.1 -61.6 -47.2 17.6 -14.4 -2.8 24 97 A L H X S+ 0 0 45 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.887 107.6 53.2 -59.3 -41.5 21.0 -14.9 -1.2 25 98 A I H X S+ 0 0 116 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 110.2 48.0 -57.3 -46.7 22.4 -11.7 -2.9 26 99 A N H X S+ 0 0 78 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.933 111.7 49.9 -58.3 -47.8 19.4 -9.8 -1.4 27 100 A Y H X S+ 0 0 88 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.919 110.3 50.0 -56.9 -46.9 20.1 -11.4 2.1 28 101 A M H X S+ 0 0 62 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.884 108.6 52.7 -62.7 -40.6 23.8 -10.5 1.9 29 102 A S H X S+ 0 0 57 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 108.9 49.8 -60.0 -40.2 23.0 -6.9 1.0 30 103 A K H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.833 106.9 54.3 -71.6 -31.9 20.7 -6.6 4.0 31 104 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.919 107.6 51.4 -61.9 -39.7 23.4 -8.1 6.3 32 105 A K H X S+ 0 0 104 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.919 107.4 52.4 -63.0 -40.9 25.7 -5.3 4.9 33 106 A A H X S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.877 109.2 50.3 -60.2 -41.4 22.9 -2.8 5.9 34 107 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.946 109.3 50.1 -62.8 -47.6 22.9 -4.2 9.4 35 108 A R H < S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.895 115.6 43.6 -55.5 -45.5 26.7 -3.9 9.8 36 109 A R H < S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.817 118.4 45.7 -64.8 -35.2 26.5 -0.3 8.6 37 110 A G H < S+ 0 0 37 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.707 113.3 42.0 -86.8 -25.9 23.5 0.3 10.8 38 111 A L S < S- 0 0 6 -4,-2.4 -1,-0.1 -5,-0.1 8,-0.0 -0.958 82.9-107.2-129.2 150.4 24.5 -1.3 14.2 39 112 A P - 0 0 56 0, 0.0 2,-2.0 0, 0.0 -36,-0.2 -0.128 34.1-105.1 -74.1 163.8 27.8 -1.4 16.2 40 113 A D S S+ 0 0 83 -37,-0.2 -38,-0.1 -38,-0.1 3,-0.1 -0.401 73.0 145.0 -81.9 63.6 30.1 -4.4 16.6 41 114 A A - 0 0 20 -2,-2.0 -38,-2.8 1,-0.1 5,-0.1 -0.656 61.2 -79.4-108.1 155.7 28.8 -4.9 20.1 42 115 A P B > -A 2 0A 59 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.268 50.4-114.1 -46.3 134.8 28.2 -8.0 22.3 43 116 A L G > S+ 0 0 6 -42,-2.4 3,-1.2 1,-0.3 -41,-0.1 0.811 115.3 53.2 -44.8 -45.2 24.8 -9.5 21.1 44 117 A E G 3 S+ 0 0 147 1,-0.2 -1,-0.3 42,-0.2 -42,-0.1 0.684 102.1 61.5 -66.8 -19.0 23.1 -8.7 24.5 45 118 A D G < S+ 0 0 92 -3,-2.2 2,-0.5 2,-0.1 -1,-0.2 0.532 75.9 102.8 -85.0 -13.1 24.2 -5.1 24.3 46 119 A I < - 0 0 4 -3,-1.2 2,-0.3 -4,-0.5 45,-0.0 -0.628 67.1-149.2 -69.4 121.2 22.3 -4.4 21.0 47 120 A T > - 0 0 62 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.675 26.1-120.6-100.2 155.6 19.2 -2.5 22.1 48 121 A T H > S+ 0 0 87 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.855 116.3 55.6 -37.0 -48.4 15.6 -2.1 21.0 49 122 A K H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 107.4 45.4 -65.6 -44.6 16.4 1.6 20.6 50 123 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.855 113.5 50.7 -65.5 -40.8 19.3 1.1 18.3 51 124 A I H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 111.7 48.3 -60.7 -48.1 17.4 -1.4 16.2 52 125 A A H X S+ 0 0 37 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.889 108.6 53.7 -61.5 -42.5 14.5 1.0 15.9 53 126 A A H X S+ 0 0 67 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.909 111.1 45.4 -60.8 -45.7 16.8 3.9 14.9 54 127 A M H X S+ 0 0 17 -4,-2.1 4,-0.8 2,-0.2 3,-0.2 0.944 116.8 44.3 -58.7 -50.7 18.3 1.9 12.1 55 128 A L H >X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 3,-1.0 0.933 109.0 57.1 -61.8 -44.7 14.9 0.6 10.8 56 129 A N H 3X S+ 0 0 74 -4,-3.1 4,-3.0 1,-0.3 5,-0.2 0.787 96.2 63.9 -58.6 -33.9 13.2 4.1 11.1 57 130 A G H 3X S+ 0 0 36 -4,-1.3 4,-0.7 -3,-0.2 -1,-0.3 0.883 110.3 39.5 -54.7 -39.3 15.9 5.7 8.8 58 131 A Y H X<>S+ 0 0 66 -3,-1.0 5,-2.5 -4,-0.8 3,-0.6 0.934 116.4 49.6 -74.6 -50.3 14.5 3.4 6.1 59 132 A I H ><5S+ 0 0 91 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.896 107.0 55.4 -55.1 -43.3 10.8 3.8 7.1 60 133 A D H 3<5S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.1 48.2 -63.7 -31.7 11.0 7.6 7.2 61 134 A E T <<5S- 0 0 131 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.413 122.2-102.6 -88.6 -6.3 12.3 7.7 3.6 62 135 A G T < 5S+ 0 0 62 -3,-1.6 2,-1.5 -4,-0.4 3,-0.2 0.577 75.1 140.9 91.8 11.5 9.6 5.4 2.2 63 136 A K >< + 0 0 102 -5,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.488 15.4 153.1 -87.7 70.6 11.9 2.4 2.1 64 137 A A H > + 0 0 73 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.873 67.3 47.6 -72.9 -52.4 9.2 -0.2 3.2 65 138 A A H > S+ 0 0 80 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 114.5 50.2 -51.3 -43.3 10.4 -3.4 1.6 66 139 A S H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.953 109.6 47.9 -66.2 -49.9 14.0 -2.7 2.9 67 140 A A H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.889 113.1 50.3 -57.6 -39.0 12.9 -2.0 6.5 68 141 A K H X S+ 0 0 166 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.933 115.1 41.9 -63.0 -47.6 10.8 -5.2 6.5 69 142 A L H X S+ 0 0 30 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.860 112.5 52.5 -73.8 -39.8 13.6 -7.4 5.2 70 143 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.945 112.9 46.4 -59.7 -46.6 16.4 -5.8 7.3 71 144 A R H X S+ 0 0 85 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.909 113.9 47.4 -58.2 -47.6 14.2 -6.5 10.4 72 145 A S H X S+ 0 0 76 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.872 112.5 49.8 -66.2 -39.4 13.4 -10.1 9.2 73 146 A T H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.924 111.6 47.5 -65.3 -44.9 17.1 -10.8 8.5 74 147 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.892 110.8 52.6 -62.2 -44.2 18.3 -9.5 11.8 75 148 A S H X S+ 0 0 11 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.942 110.7 46.5 -52.5 -55.6 15.6 -11.5 13.6 76 149 A D H X S+ 0 0 36 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.921 110.8 53.1 -58.7 -43.9 16.6 -14.7 11.9 77 150 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 109.6 48.7 -52.7 -47.7 20.4 -13.9 12.7 78 151 A F H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.911 109.0 53.6 -59.9 -42.0 19.4 -13.5 16.3 79 152 A R H X S+ 0 0 143 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.868 109.2 48.8 -59.2 -40.9 17.5 -16.9 16.2 80 153 A E H X S+ 0 0 48 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.879 108.5 52.9 -66.5 -39.5 20.6 -18.6 14.8 81 154 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 6,-0.6 0.857 108.2 51.5 -63.9 -36.2 22.7 -17.1 17.6 82 155 A I H ><5S+ 0 0 59 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.963 108.2 51.2 -59.3 -51.1 20.2 -18.5 20.1 83 156 A A H 3<5S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.830 111.5 48.4 -55.8 -34.7 20.6 -22.0 18.5 84 157 A E T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.423 118.5-112.6 -87.8 0.2 24.4 -21.6 18.8 85 158 A G T < 5S+ 0 0 60 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.595 82.2 117.5 86.8 17.1 24.1 -20.5 22.5 86 159 A H S - 0 0 27 -2,-0.3 3,-0.8 1,-0.1 -15,-0.1 -0.866 19.5-173.6-107.0 111.0 15.4 -12.4 20.4 91 164 A H T 3 S+ 0 0 91 -2,-0.6 -1,-0.1 2,-0.3 -16,-0.1 0.646 76.9 77.8 -82.7 -11.8 15.4 -8.6 20.7 92 165 A V T 3 0 0 18 1,-0.3 -1,-0.2 -18,-0.1 -17,-0.1 0.805 360.0 360.0 -64.8 -28.8 14.2 -7.8 17.2 93 166 A A < 0 0 113 -3,-0.8 -1,-0.3 -18,-0.1 -2,-0.3 0.658 360.0 360.0 -78.3 360.0 11.0 -8.9 19.0