==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 30-JUN-10 3NRW . COMPND 2 MOLECULE: PHAGE INTEGRASE/SITE-SPECIFIC RECOMBINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOARCULA MARISMORTUI; . AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI,D.WA . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 72.1 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 2 0 0 0 0 0 0 0 2 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 4 A R 0 0 251 0, 0.0 91,-0.1 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 -55.7 -3.9 21.9 15.4 2 5 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 88,-0.0 -0.330 360.0-165.4 -70.1 153.4 -2.7 25.0 17.2 3 6 A S - 0 0 73 45,-0.1 2,-0.4 44,-0.0 90,-0.1 -0.997 7.7-178.0-142.4 133.9 0.6 26.6 16.3 4 7 A L - 0 0 26 -2,-0.4 44,-2.9 88,-0.3 45,-0.3 -0.996 22.7-129.3-135.3 140.3 2.7 29.2 18.2 5 8 A S > - 0 0 24 -2,-0.4 4,-3.0 42,-0.2 5,-0.3 -0.314 39.4-100.6 -76.1 165.3 6.0 30.9 17.3 6 9 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.950 124.5 46.8 -54.3 -49.1 8.8 30.9 19.9 7 10 A R H > S+ 0 0 143 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 113.9 47.0 -60.0 -46.0 7.9 34.5 21.0 8 11 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 114.1 47.6 -61.6 -45.0 4.2 33.8 21.2 9 12 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.852 111.8 51.0 -63.8 -36.6 4.7 30.6 23.1 10 13 A R H X S+ 0 0 30 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.957 112.3 45.2 -66.6 -50.5 7.2 32.4 25.5 11 14 A D H X S+ 0 0 72 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.893 112.4 52.5 -59.9 -41.2 4.7 35.2 26.1 12 15 A R H X S+ 0 0 128 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.914 109.4 48.8 -61.8 -43.7 1.8 32.7 26.6 13 16 A Y H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.926 110.2 50.0 -63.3 -46.6 3.8 30.8 29.2 14 17 A L H X S+ 0 0 4 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.906 112.3 47.5 -61.2 -41.1 4.8 33.8 31.2 15 18 A A H < S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.896 111.2 52.8 -65.1 -40.1 1.2 35.0 31.4 16 19 A H H < S+ 0 0 63 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.836 112.6 42.9 -63.5 -36.0 0.1 31.5 32.4 17 20 A R H >X S+ 0 0 73 -4,-2.1 3,-1.2 1,-0.2 4,-0.7 0.597 88.8 92.4 -85.6 -12.5 2.7 31.4 35.2 18 21 A Q T 3< S+ 0 0 102 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.187 84.4 56.2 -67.7 20.9 1.7 35.0 36.2 19 22 A T T 34 S+ 0 0 111 -3,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.625 116.1 24.1-123.6 -28.8 -0.8 33.4 38.5 20 23 A D T <4 S+ 0 0 94 -3,-1.2 2,-0.3 -4,-0.2 -2,-0.2 0.054 109.2 76.6-128.3 25.1 1.2 31.1 40.8 21 24 A A S < S- 0 0 21 -4,-0.7 5,-0.0 3,-0.0 2,-0.0 -0.993 76.7-113.1-139.0 144.8 4.7 32.6 40.7 22 25 A A > - 0 0 65 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.274 37.0-105.9 -69.5 160.8 6.3 35.7 42.2 23 26 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.851 121.1 54.3 -55.3 -39.7 7.4 38.6 40.0 24 27 A A H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 105.9 51.6 -65.8 -36.4 11.0 37.6 40.4 25 28 A S H > S+ 0 0 49 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.915 108.6 51.3 -66.9 -41.6 10.3 34.1 39.2 26 29 A I H X S+ 0 0 11 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.918 110.3 49.1 -60.8 -44.4 8.6 35.4 36.1 27 30 A K H X S+ 0 0 118 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.924 110.9 50.2 -61.7 -42.9 11.6 37.6 35.3 28 31 A S H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.924 111.2 48.1 -60.9 -44.6 13.9 34.6 35.8 29 32 A F H X S+ 0 0 22 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.920 112.7 50.5 -60.3 -43.8 11.7 32.5 33.4 30 33 A R H X S+ 0 0 106 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.944 111.1 46.7 -60.2 -49.9 11.8 35.5 31.0 31 34 A Y H X S+ 0 0 127 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.913 114.4 47.9 -60.8 -43.0 15.6 35.8 31.1 32 35 A R H >X S+ 0 0 80 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.935 114.9 43.5 -64.1 -46.6 16.1 32.1 30.7 33 36 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.681 96.8 76.3 -74.8 -17.4 13.7 31.7 27.8 34 37 A K H 3X S+ 0 0 125 -4,-1.6 4,-2.2 1,-0.2 5,-0.3 0.900 93.5 53.4 -59.4 -38.3 15.0 34.9 26.1 35 38 A H H S+ 0 0 0 -4,-3.4 5,-2.7 1,-0.2 3,-0.2 0.923 112.8 49.7 -61.4 -44.7 15.2 29.6 17.7 41 44 A E H ><5S+ 0 0 92 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.909 110.8 49.8 -62.3 -41.3 14.3 32.7 15.7 42 45 A E H 3<5S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.9 53.0 -67.7 -25.2 17.8 32.9 14.3 43 46 A R T 3<5S- 0 0 114 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.177 119.7-112.2 -93.2 14.2 17.6 29.2 13.3 44 47 A D T < 5 + 0 0 131 -3,-1.5 2,-1.0 1,-0.2 -3,-0.2 0.800 60.6 157.1 59.5 34.5 14.4 29.9 11.5 45 48 A I < + 0 0 8 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.795 9.2 170.6 -90.0 102.2 12.2 27.9 13.9 46 49 A T + 0 0 98 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.587 62.5 35.6 -90.6 -12.7 8.8 29.6 13.2 47 50 A A S > S- 0 0 11 -42,-0.2 3,-1.8 1,-0.1 -42,-0.2 -0.996 71.8-135.1-142.2 135.6 6.6 27.1 15.2 48 51 A X G > S+ 0 0 0 -44,-2.9 3,-2.0 -2,-0.3 -43,-0.1 0.802 102.9 69.3 -61.1 -28.0 7.3 25.4 18.4 49 52 A R G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -45,-0.3 45,-0.2 0.733 85.9 71.1 -62.5 -19.4 6.0 22.1 17.0 50 53 A E G < S+ 0 0 82 -3,-1.8 -1,-0.3 43,-0.1 -2,-0.2 0.661 76.0 109.8 -70.5 -16.9 9.0 22.1 14.7 51 54 A L < + 0 0 2 -3,-2.0 2,-0.3 -4,-0.2 43,-0.2 -0.255 44.5 174.8 -62.0 148.7 11.2 21.3 17.7 52 55 A T > - 0 0 58 1,-0.0 4,-2.6 48,-0.0 5,-0.2 -0.880 49.3 -92.7-144.3 172.8 12.8 17.8 17.9 53 56 A G H > S+ 0 0 26 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.885 126.0 53.0 -58.8 -37.7 15.3 16.0 20.1 54 57 A W H > S+ 0 0 170 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 109.8 45.4 -62.9 -49.7 18.0 17.1 17.7 55 58 A K H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.891 112.5 51.8 -62.9 -38.8 17.1 20.7 17.9 56 59 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.896 110.1 48.9 -64.6 -39.0 16.8 20.6 21.6 57 60 A D H X S+ 0 0 77 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.863 108.6 54.0 -67.6 -36.3 20.3 19.0 21.9 58 61 A E H X S+ 0 0 56 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 109.9 47.8 -62.6 -43.6 21.7 21.7 19.6 59 62 A Y H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.937 110.0 51.2 -63.5 -46.6 20.3 24.4 21.9 60 63 A E H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.927 111.8 47.1 -56.7 -46.0 21.7 22.7 25.0 61 64 A T H X S+ 0 0 55 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.877 109.7 54.3 -63.6 -38.3 25.1 22.5 23.4 62 65 A F H >< S+ 0 0 101 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.963 111.5 44.0 -59.5 -52.1 24.9 26.1 22.3 63 66 A R H >< S+ 0 0 22 -4,-2.7 3,-1.9 1,-0.3 5,-0.4 0.864 107.5 59.3 -63.0 -35.3 24.1 27.3 25.9 64 67 A R H 3< S+ 0 0 146 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.717 100.2 59.7 -65.9 -19.2 26.9 25.0 27.3 65 68 A G T << S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.396 92.4 86.8 -89.3 2.4 29.2 27.0 25.0 66 69 A S S < S- 0 0 40 -3,-1.9 -3,-0.0 -4,-0.1 0, 0.0 -0.199 95.7 -99.8 -89.2-173.3 28.4 30.3 26.8 67 70 A D S S+ 0 0 173 -2,-0.1 2,-0.1 2,-0.0 -3,-0.1 0.276 79.9 125.0 -93.0 10.9 30.0 31.7 29.9 68 71 A V - 0 0 43 -5,-0.4 -2,-0.1 1,-0.1 0, 0.0 -0.382 63.7-114.1 -72.6 147.9 27.1 30.5 32.1 69 72 A S > - 0 0 72 1,-0.1 4,-2.6 -2,-0.1 3,-0.3 -0.414 26.2-111.5 -77.3 156.5 27.8 28.3 35.2 70 73 A P H > S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.894 118.9 53.4 -55.6 -40.9 26.5 24.7 35.3 71 74 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.882 110.6 46.1 -61.8 -40.2 24.0 25.7 38.0 72 75 A T H > S+ 0 0 79 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.892 111.9 51.5 -70.4 -39.2 22.6 28.5 35.9 73 76 A L H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 107.1 53.6 -64.1 -40.7 22.5 26.2 32.9 74 77 A N H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.909 109.0 47.8 -60.5 -44.7 20.6 23.5 34.8 75 78 A G H X S+ 0 0 19 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.805 111.3 52.7 -67.1 -28.7 17.9 26.0 35.9 76 79 A E H X S+ 0 0 5 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.905 110.6 44.9 -72.7 -44.0 17.7 27.2 32.3 77 80 A X H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.852 111.3 54.8 -69.3 -33.3 17.1 23.8 30.9 78 81 A Q H X S+ 0 0 77 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.886 109.1 46.6 -66.5 -40.3 14.6 23.0 33.7 79 82 A T H X S+ 0 0 3 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.901 111.3 52.5 -68.7 -37.9 12.6 26.1 32.8 80 83 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 110.6 49.1 -60.3 -44.3 12.8 25.0 29.1 81 84 A K H X S+ 0 0 46 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.928 111.4 46.9 -60.4 -48.6 11.5 21.6 30.2 82 85 A N H X S+ 0 0 52 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.854 110.2 55.2 -63.5 -34.2 8.6 23.1 32.2 83 86 A W H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.952 108.1 46.9 -63.9 -49.1 7.8 25.4 29.3 84 87 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.828 107.7 57.3 -63.5 -31.7 7.5 22.5 26.8 85 88 A E H X S+ 0 0 101 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.916 108.0 47.9 -64.2 -41.3 5.4 20.5 29.3 86 89 A Y H X S+ 0 0 25 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.945 112.8 47.7 -62.5 -49.0 2.9 23.5 29.3 87 90 A L H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 6,-0.9 0.842 109.6 53.1 -62.7 -34.2 3.0 23.6 25.5 88 91 A A H ><5S+ 0 0 19 -4,-2.4 3,-1.6 4,-0.2 -1,-0.2 0.913 106.7 53.0 -67.6 -40.1 2.4 19.9 25.2 89 92 A R H 3<5S+ 0 0 160 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.3 46.0 -61.7 -37.9 -0.6 20.1 27.5 90 93 A I T 3<5S- 0 0 35 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.156 117.7-111.6 -93.4 20.0 -2.1 22.8 25.3 91 94 A D T < 5S+ 0 0 103 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.696 82.5 122.8 62.9 24.2 -1.4 20.9 22.1 92 95 A V S - 0 0 68 -2,-0.3 3,-1.9 -45,-0.2 -6,-0.1 -0.222 41.9-125.1 -52.3 138.3 4.3 16.9 20.2 95 98 A E T 3 S+ 0 0 159 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.745 108.5 53.1 -60.7 -24.1 3.4 15.2 23.5 96 99 A D T 3 S+ 0 0 70 1,-0.1 -1,-0.3 2,-0.1 4,-0.3 0.287 88.2 84.3 -96.1 12.7 6.7 13.3 23.5 97 100 A L S X S+ 0 0 3 -3,-1.9 3,-2.2 2,-0.2 4,-0.3 0.933 78.2 58.4 -80.7 -47.9 8.9 16.4 23.1 98 101 A P G > S+ 0 0 15 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.840 100.8 59.5 -51.8 -34.1 9.3 17.6 26.7 99 102 A E G 3 S+ 0 0 136 1,-0.3 -2,-0.2 -4,-0.3 -3,-0.1 0.712 94.5 65.3 -67.2 -20.8 10.8 14.2 27.7 100 103 A K G < S+ 0 0 94 -3,-2.2 2,-0.6 -4,-0.3 -1,-0.3 0.470 76.6 106.9 -82.1 -0.3 13.6 14.8 25.2 101 104 A V < - 0 0 8 -3,-1.6 2,-0.7 -4,-0.3 -48,-0.0 -0.707 65.2-144.5 -83.6 118.2 14.9 17.8 27.2 102 105 A H - 0 0 109 -2,-0.6 -2,-0.1 -46,-0.0 -21,-0.0 -0.732 11.1-164.5 -86.6 115.9 18.1 16.9 28.9 103 106 A V 0 0 52 -2,-0.7 -29,-0.1 1,-0.2 -28,-0.0 -0.845 360.0 360.0-104.2 99.9 18.4 18.6 32.3 104 107 A P 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -30,-0.1 0.990 360.0 360.0 -71.2 360.0 22.0 18.4 33.5