==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 29-JUN-09 2KKV . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.L.MILLS,Y.WU,D.K.SUKUMARAN,R.L.BELOTE,C.CICCOSANTI,M.JIANG . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 59.5 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 . 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 . 6 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 2 0 0 0 0 0 1 0 0 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 . 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 1 A M 0 0 177 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.9 -23.4 -0.0 -2.4 2 2 A E + 0 0 182 1,-0.1 2,-1.1 2,-0.1 0, 0.0 0.940 360.0 64.1 -61.2 -51.0 -26.3 1.4 -0.4 3 3 A N S S- 0 0 142 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 -0.668 89.3-140.5 -79.1 102.8 -24.1 2.5 2.5 4 4 A S + 0 0 120 -2,-1.1 2,-0.2 2,-0.0 -2,-0.1 -0.497 58.8 59.1 -70.2 119.9 -21.9 5.1 1.0 5 5 A G + 0 0 44 -2,-0.4 -2,-0.0 -4,-0.1 0, 0.0 -0.814 53.4 77.4 148.2 172.7 -18.4 4.9 2.3 6 6 A A + 0 0 64 -2,-0.2 5,-0.2 1,-0.1 -2,-0.0 0.811 53.9 134.8 63.2 33.7 -15.3 2.8 2.6 7 7 A Y + 0 0 112 4,-0.1 -1,-0.1 3,-0.1 5,-0.0 0.354 42.4 115.4 -88.9 5.6 -14.4 3.4 -1.0 8 8 A T S >> S- 0 0 38 1,-0.1 4,-1.3 3,-0.1 3,-0.6 0.052 90.4 -84.5 -74.5-179.3 -10.8 4.0 0.2 9 9 A F H 3> S+ 0 0 23 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.733 120.8 68.8 -57.7 -25.8 -7.6 2.2 -0.5 10 10 A E H 3> S+ 0 0 104 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.954 101.9 39.4 -59.4 -54.9 -8.5 -0.2 2.3 11 11 A T H <> S+ 0 0 32 -3,-0.6 4,-1.9 1,-0.2 3,-0.4 0.814 106.1 64.6 -73.1 -30.7 -11.4 -1.9 0.7 12 12 A I H X S+ 0 0 30 -4,-1.3 4,-1.1 1,-0.3 -1,-0.2 0.863 100.5 53.5 -60.9 -34.3 -9.8 -2.1 -2.7 13 13 A A H X S+ 0 0 17 -4,-1.2 4,-1.0 -3,-0.5 -1,-0.3 0.830 108.4 50.1 -67.6 -31.9 -7.2 -4.4 -1.2 14 14 A R H X S+ 0 0 133 -4,-0.8 4,-2.4 -3,-0.4 -2,-0.2 0.852 99.6 67.7 -72.9 -34.6 -10.0 -6.6 0.1 15 15 A E H < S+ 0 0 85 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.911 111.0 29.4 -56.6 -54.1 -11.7 -6.8 -3.3 16 16 A W H >< S+ 0 0 71 -4,-1.1 3,-0.9 1,-0.2 -1,-0.2 0.760 117.2 62.6 -77.2 -25.0 -9.1 -8.8 -5.1 17 17 A H H >< S+ 0 0 47 -4,-1.0 3,-2.8 -5,-0.2 4,-0.4 0.844 87.5 69.3 -67.0 -34.0 -8.1 -10.5 -1.8 18 18 A E T 3< S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.626 88.1 65.5 -67.8 -10.6 -11.5 -12.2 -1.3 19 19 A S T < S- 0 0 47 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.505 116.8-117.8 -81.7 -4.5 -10.8 -14.4 -4.3 20 20 A N < + 0 0 103 -3,-2.8 -2,-0.1 -4,-0.1 -3,-0.1 0.961 53.8 160.4 63.1 92.9 -8.0 -15.8 -2.1 21 21 A K + 0 0 159 -4,-0.4 2,-0.3 1,-0.3 -4,-0.1 0.702 68.1 12.4-104.6 -35.1 -4.6 -15.2 -3.6 22 22 A R S S- 0 0 147 -5,-0.2 -1,-0.3 1,-0.0 3,-0.2 -0.895 74.1-120.2-141.3 169.0 -2.5 -15.6 -0.5 23 23 A W S S+ 0 0 175 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.169 75.2 67.9-102.1-172.1 -2.8 -16.9 3.1 24 24 A S >> + 0 0 33 1,-0.1 4,-0.9 -2,-0.1 3,-0.6 0.686 56.4 137.1 71.9 22.9 -2.4 -15.5 6.6 25 25 A E H 3> + 0 0 91 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.787 59.5 69.1 -69.4 -27.2 -5.5 -13.3 6.1 26 26 A D H >4 S+ 0 0 129 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.870 101.7 45.0 -57.9 -39.3 -6.7 -14.2 9.6 27 27 A H H X> S+ 0 0 105 -3,-0.6 4,-2.1 1,-0.2 3,-1.1 0.795 96.8 75.0 -76.1 -28.5 -3.9 -12.2 11.2 28 28 A R H 3X S+ 0 0 114 -4,-0.9 4,-1.9 1,-0.3 -1,-0.2 0.708 78.1 75.2 -62.7 -23.6 -4.3 -9.2 8.9 29 29 A S H << S+ 0 0 105 -4,-0.6 -1,-0.3 -3,-0.6 4,-0.2 0.925 112.2 24.6 -55.1 -47.6 -7.4 -8.1 10.8 30 30 A R H X> S+ 0 0 204 -3,-1.1 3,-1.6 -4,-0.3 4,-0.5 0.880 117.7 61.8 -82.6 -42.1 -5.2 -6.8 13.6 31 31 A V H 3X S+ 0 0 33 -4,-2.1 4,-2.8 1,-0.3 3,-0.3 0.728 83.8 83.2 -57.9 -22.2 -2.0 -6.3 11.6 32 32 A L H 3X S+ 0 0 78 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.866 85.8 55.5 -50.6 -41.8 -3.9 -3.7 9.5 33 33 A R H <> S+ 0 0 213 -3,-1.6 4,-1.4 -4,-0.2 -1,-0.2 0.929 112.4 40.7 -58.1 -48.8 -3.2 -1.1 12.2 34 34 A Y H X S+ 0 0 147 -4,-0.5 4,-1.4 -3,-0.3 -1,-0.2 0.867 117.3 50.8 -68.0 -36.8 0.6 -1.6 12.0 35 35 A L H >X S+ 0 0 40 -4,-2.8 4,-2.8 2,-0.2 3,-0.6 0.982 108.3 47.7 -67.1 -58.1 0.4 -2.0 8.2 36 36 A E H 3X S+ 0 0 41 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.847 112.0 52.1 -53.8 -39.5 -1.6 1.2 7.4 37 37 A L H 3< S+ 0 0 117 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.881 118.2 34.7 -66.1 -38.9 0.7 3.3 9.6 38 38 A Y H << S+ 0 0 120 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.697 116.4 52.1 -94.7 -22.1 3.9 2.1 8.0 39 39 A I H < S+ 0 0 8 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.814 122.0 32.3 -82.7 -30.7 2.8 1.7 4.4 40 40 A F S < S+ 0 0 42 -4,-1.7 -1,-0.3 -5,-0.4 4,-0.2 -0.615 78.1 135.8-122.3 71.1 1.4 5.3 4.4 41 41 A P S S+ 0 0 67 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.954 86.2 12.0 -81.6 -55.4 3.8 7.2 6.7 42 42 A H S S+ 0 0 158 14,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.438 134.6 50.0-101.9 -2.4 4.5 10.4 4.9 43 43 A I S > S+ 0 0 36 1,-0.1 3,-1.2 13,-0.1 -1,-0.1 0.197 72.7 105.5-121.7 13.2 1.7 9.8 2.3 44 44 A G T 3 + 0 0 53 1,-0.3 -1,-0.1 -4,-0.2 -4,-0.1 0.328 69.3 71.9 -78.9 11.0 -1.2 9.0 4.7 45 45 A S T 3 S+ 0 0 119 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.243 84.5 83.5-107.6 9.9 -2.6 12.5 4.0 46 46 A S S < S- 0 0 62 -3,-1.2 2,-0.2 2,-0.0 5,-0.1 -0.787 74.7-117.8-116.7 157.3 -3.7 11.7 0.4 47 47 A D > - 0 0 54 -2,-0.3 3,-2.0 3,-0.1 -2,-0.1 -0.514 28.7-111.9 -88.8 161.4 -6.8 10.0 -1.1 48 48 A I T 3 S+ 0 0 11 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.783 119.1 57.5 -63.7 -26.7 -6.8 6.8 -3.2 49 49 A R T 3 S+ 0 0 144 1,-0.2 -1,-0.3 43,-0.0 2,-0.1 0.342 105.8 54.7 -87.1 7.7 -7.8 8.8 -6.2 50 50 A Q < + 0 0 118 -3,-2.0 -1,-0.2 2,-0.0 2,-0.2 -0.554 69.7 150.7-141.3 71.9 -4.7 11.0 -5.7 51 51 A L - 0 0 29 -3,-0.3 2,-0.2 -2,-0.1 -3,-0.0 -0.629 29.0-144.7 -95.4 162.1 -1.6 8.8 -5.6 52 52 A K - 0 0 128 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 -0.648 20.3 -87.7-123.4 176.5 1.9 10.0 -6.7 53 53 A T S > S- 0 0 71 -2,-0.2 3,-1.7 1,-0.1 -1,-0.2 0.128 70.6 -59.8 -72.9-165.1 5.0 8.6 -8.4 54 54 A S G > S+ 0 0 41 1,-0.3 3,-0.7 42,-0.3 4,-0.2 0.292 112.7 93.6 -70.5 15.9 7.9 6.9 -6.7 55 55 A H G > S+ 0 0 153 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.813 79.4 60.2 -73.9 -28.4 8.6 10.0 -4.6 56 56 A L G <> S+ 0 0 18 -3,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.601 87.7 75.0 -71.4 -13.7 6.5 8.5 -2.0 57 57 A L H <> S+ 0 0 38 -3,-0.7 4,-1.4 1,-0.2 3,-0.2 0.687 73.5 85.1 -72.8 -17.5 8.9 5.6 -1.8 58 58 A A H X> S+ 0 0 67 -3,-1.2 3,-0.6 1,-0.2 4,-0.6 0.907 90.5 43.5 -53.9 -53.1 11.4 7.8 0.0 59 59 A P H >> S+ 0 0 38 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.812 110.7 57.1 -63.7 -28.2 10.0 7.2 3.6 60 60 A I H 3X S+ 0 0 8 -4,-0.5 4,-1.1 -3,-0.2 3,-0.3 0.778 97.4 62.9 -71.3 -24.8 9.7 3.5 2.7 61 61 A K H S+ 0 0 45 -4,-0.6 5,-1.1 -3,-0.3 3,-0.4 0.808 109.4 62.0 -71.7 -28.7 13.0 0.9 6.8 64 64 A D H ><>S+ 0 0 33 -4,-1.1 3,-1.5 1,-0.2 5,-0.8 0.910 100.1 54.3 -57.2 -42.3 15.0 -0.4 3.8 65 65 A T H 3<5S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.759 93.1 71.0 -66.7 -24.9 18.1 1.2 5.4 66 66 A S T 3<5S- 0 0 89 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.539 119.7-104.3 -72.1 -5.1 17.5 -0.6 8.7 67 67 A G T < 5S+ 0 0 53 -3,-1.5 3,-0.3 -4,-0.2 -3,-0.1 0.369 106.2 99.4 95.6 -3.8 18.5 -3.8 7.0 68 68 A K T >>< + 0 0 131 -5,-1.1 3,-2.5 1,-0.2 4,-0.5 0.017 40.4 137.1 -98.9 26.2 14.9 -5.0 6.8 69 69 A H H 3>< + 0 0 84 -5,-0.8 4,-0.9 1,-0.3 3,-0.5 0.671 56.9 69.9 -51.2 -24.8 14.9 -3.8 3.2 70 70 A D H 3> S+ 0 0 78 -3,-0.3 4,-1.5 1,-0.2 3,-0.4 0.850 91.4 59.7 -64.9 -32.3 13.0 -6.9 2.0 71 71 A V H <> S+ 0 0 59 -3,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.837 94.7 63.7 -65.9 -32.8 9.9 -5.7 3.8 72 72 A A H X S+ 0 0 7 -4,-0.5 4,-3.0 -3,-0.5 -1,-0.2 0.897 103.5 48.0 -57.8 -41.5 9.8 -2.6 1.7 73 73 A Q H X S+ 0 0 50 -4,-0.9 4,-2.0 -3,-0.4 -1,-0.2 0.902 110.0 51.5 -64.1 -44.1 9.3 -4.8 -1.4 74 74 A R H < S+ 0 0 138 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.848 114.6 45.3 -61.0 -34.6 6.5 -6.7 0.4 75 75 A L H >X S+ 0 0 28 -4,-2.3 3,-1.5 2,-0.2 4,-0.7 0.945 110.1 50.9 -73.5 -51.1 5.0 -3.3 1.2 76 76 A Q H 3X S+ 0 0 17 -4,-3.0 4,-2.6 1,-0.3 3,-0.4 0.850 96.1 70.3 -58.7 -38.2 5.3 -1.7 -2.2 77 77 A Q H 3X S+ 0 0 116 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.771 93.4 59.5 -53.3 -28.1 3.7 -4.7 -3.9 78 78 A R H <> S+ 0 0 39 -3,-1.5 4,-2.8 -4,-0.4 5,-0.2 0.972 110.6 37.3 -64.6 -53.9 0.4 -3.7 -2.4 79 79 A V H X S+ 0 0 10 -4,-0.7 4,-2.3 -3,-0.4 -2,-0.2 0.872 117.4 52.4 -70.3 -35.5 0.2 -0.2 -3.9 80 80 A T H X S+ 0 0 36 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.931 115.4 40.5 -64.2 -45.9 1.7 -1.4 -7.2 81 81 A A H >X S+ 0 0 39 -4,-2.2 4,-1.4 -5,-0.3 3,-0.7 0.951 116.7 47.7 -68.7 -50.0 -0.8 -4.2 -7.5 82 82 A I H 3X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 3,-0.3 0.890 106.7 57.7 -60.1 -40.5 -3.9 -2.2 -6.3 83 83 A M H 3X S+ 0 0 7 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.3 0.816 101.8 56.9 -62.1 -29.1 -3.0 0.7 -8.6 84 84 A R H S+ 0 0 3 -4,-2.5 5,-1.7 2,-0.2 6,-0.7 0.877 110.0 42.4 -62.0 -39.8 -7.3 1.1 -10.1 87 87 A V H <5S+ 0 0 36 -4,-2.0 3,-0.3 2,-0.2 -1,-0.2 0.846 112.1 54.3 -74.6 -34.4 -6.3 1.7 -13.7 88 88 A Q H <5S+ 0 0 146 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.796 111.7 44.3 -70.8 -28.1 -8.3 -1.3 -14.8 89 89 A N T <5S- 0 0 106 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.477 106.3-140.5 -89.7 -5.8 -11.3 0.2 -13.1 90 90 A D T 5 + 0 0 109 -3,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.747 63.2 126.9 57.0 31.6 -10.3 3.6 -14.6 91 91 A Y S + 0 0 107 1,-0.1 2,-2.1 -2,-0.1 3,-1.5 0.510 65.5 97.7-114.8 -14.7 2.4 -15.9 -17.7 115 115 A E T 3 + 0 0 124 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.114 66.4 76.2 -75.8 42.6 1.7 -12.6 -16.0 116 116 A H T 3 S+ 0 0 167 -2,-2.1 2,-0.3 1,-0.3 -1,-0.3 0.410 93.9 42.7-127.8 -6.1 -0.1 -11.2 -19.0 117 117 A H < + 0 0 126 -3,-1.5 2,-0.3 2,-0.0 -1,-0.3 -0.943 60.1 152.0-146.6 122.3 -3.5 -13.0 -18.7 118 118 A H + 0 0 150 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.0 -0.918 4.9 144.4-153.0 119.8 -5.4 -13.6 -15.5 119 119 A H + 0 0 166 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.736 23.7 111.9-161.8 107.9 -9.2 -14.1 -15.0 120 120 A H 0 0 168 -2,-0.2 -101,-0.0 0, 0.0 0, 0.0 -0.730 360.0 360.0-176.4 124.9 -10.8 -16.4 -12.5 121 121 A H 0 0 167 -2,-0.2 -2,-0.0 -103,-0.0 -105,-0.0 0.680 360.0 360.0-109.2 360.0 -12.9 -15.7 -9.4