==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-MAY-09 2KJ5 . COMPND 2 MOLECULE: PHAGE INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOSPIRA MULTIFORMIS ATCC 25196; . AUTHOR J.L.MILLS,A.ELETSKY,A.GHOSH,D.WANG,H.LEE,C.CICCOSANTI,M.JIAN . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 61.2 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 1.7 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 . 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 . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.3 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 1 0 1 0 1 0 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 . 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 1 A M 0 0 184 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 147.8 -2.6 -14.5 13.3 2 2 A A - 0 0 46 1,-0.1 5,-0.1 4,-0.1 0, 0.0 0.068 360.0 -73.9 67.0 170.9 0.1 -16.2 11.3 3 3 A E S S- 0 0 137 3,-0.1 -1,-0.1 1,-0.0 4,-0.0 0.963 99.3 -53.1 -63.1 -53.1 3.1 -18.0 13.0 4 4 A K S S- 0 0 150 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.324 120.7 -13.2-153.4 -46.3 4.7 -14.7 14.0 5 5 A N S S+ 0 0 50 86,-0.1 2,-0.2 85,-0.0 -3,-0.1 0.192 98.5 106.9-150.2 16.0 5.2 -12.3 11.0 6 6 A A + 0 0 22 -5,-0.1 2,-0.2 41,-0.1 -4,-0.1 -0.145 51.0 122.5 -97.4 39.8 4.5 -14.6 8.0 7 7 A Y - 0 0 19 -2,-0.2 41,-0.8 -6,-0.1 2,-0.1 -0.506 62.4-101.9 -98.4 169.2 1.1 -13.1 7.2 8 8 A T B > -A 47 0A 44 39,-0.2 4,-2.7 -2,-0.2 3,-0.4 -0.407 26.5-112.6 -88.5 164.6 -0.1 -11.5 3.9 9 9 A V H > S+ 0 0 19 37,-2.5 4,-1.6 34,-0.4 36,-0.1 0.778 117.8 62.7 -67.8 -24.6 -0.5 -7.8 3.1 10 10 A A H 4 S+ 0 0 35 34,-2.0 4,-0.5 36,-0.4 -1,-0.2 0.886 110.2 38.3 -64.7 -38.6 -4.3 -8.5 3.0 11 11 A Q H >> S+ 0 0 55 -3,-0.4 4,-1.4 33,-0.3 3,-1.2 0.866 110.7 60.3 -77.5 -37.6 -4.1 -9.5 6.7 12 12 A L H 3X S+ 0 0 1 -4,-2.7 4,-3.9 1,-0.3 5,-0.2 0.799 93.1 67.9 -57.2 -30.6 -1.6 -6.7 7.3 13 13 A A H 3X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.868 98.7 49.9 -57.8 -37.9 -4.3 -4.3 6.1 14 14 A D H <> S+ 0 0 109 -3,-1.2 4,-2.0 -4,-0.5 -1,-0.2 0.937 115.1 43.3 -65.5 -46.5 -6.3 -5.2 9.2 15 15 A E H X S+ 0 0 22 -4,-1.4 4,-1.8 2,-0.2 5,-0.3 0.944 114.2 50.5 -60.9 -51.1 -3.3 -4.5 11.4 16 16 A Y H X>S+ 0 0 4 -4,-3.9 4,-2.8 1,-0.2 5,-1.0 0.900 111.4 47.3 -57.4 -46.4 -2.4 -1.4 9.5 17 17 A F H X5S+ 0 0 56 -4,-2.4 4,-0.7 1,-0.2 5,-0.2 0.920 114.6 46.5 -63.3 -42.8 -5.9 0.1 9.8 18 18 A E H <5S+ 0 0 114 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.736 125.4 31.1 -73.3 -22.8 -6.1 -0.7 13.5 19 19 A R H <5S+ 0 0 125 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.884 126.9 31.8-101.3 -53.9 -2.6 0.7 14.1 20 20 A M H >X5S+ 0 0 49 -4,-2.8 4,-1.4 -5,-0.3 3,-0.6 0.816 121.9 48.5 -82.2 -28.7 -1.8 3.6 11.7 21 21 A I T 3< + 0 0 103 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.757 58.6 172.1-136.4 85.0 -10.6 11.2 7.4 28 28 A P H > S+ 0 0 72 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.883 76.4 54.9 -64.8 -42.6 -12.1 7.7 8.0 29 29 A N H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.851 111.7 46.2 -63.4 -34.2 -14.1 7.4 4.8 30 30 A I H > S+ 0 0 54 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.968 116.0 41.6 -71.5 -54.2 -11.0 8.1 2.8 31 31 A V H X S+ 0 0 6 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.843 115.5 51.0 -66.3 -33.7 -8.5 5.8 4.5 32 32 A R H X S+ 0 0 114 -4,-2.6 4,-1.1 -5,-0.2 3,-0.3 0.938 111.0 45.7 -71.2 -46.5 -11.0 3.0 4.8 33 33 A S H X S+ 0 0 60 -4,-1.5 4,-1.7 -5,-0.3 5,-0.2 0.839 106.9 61.0 -67.1 -32.8 -12.1 2.9 1.2 34 34 A R H X>S+ 0 0 67 -4,-1.9 5,-2.5 1,-0.2 4,-2.0 0.910 99.1 58.4 -55.8 -44.3 -8.4 3.1 0.1 35 35 A I H <>S+ 0 0 5 -4,-1.3 5,-1.1 -3,-0.3 -2,-0.2 0.931 112.6 34.2 -54.9 -55.7 -7.7 -0.2 1.9 36 36 A E H <5S+ 0 0 98 -4,-1.1 -1,-0.2 3,-0.2 -2,-0.2 0.751 123.2 46.1 -76.8 -23.9 -10.2 -2.4 0.0 37 37 A K H <5S- 0 0 133 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.971 134.3 -11.1 -86.6 -60.3 -9.8 -0.6 -3.3 38 38 A D T <5S+ 0 0 8 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.732 117.0 74.8-117.6 -32.3 -6.2 0.0 -4.1 39 39 A I T S+ 0 0 92 -4,-0.1 3,-0.7 4,-0.0 -2,-0.1 0.226 127.7 73.3-166.6 -32.7 -3.6 -8.0 -6.4 43 43 A I G > + 0 0 43 1,-0.2 3,-1.5 2,-0.1 -34,-0.4 0.083 63.8 112.7 -80.9 24.5 -0.7 -9.2 -4.3 44 44 A G G 3 S+ 0 0 8 1,-0.3 -34,-2.0 -35,-0.1 -33,-0.3 0.879 73.3 53.9 -66.0 -36.1 -3.0 -9.1 -1.3 45 45 A S G < S+ 0 0 117 -3,-0.7 -1,-0.3 -36,-0.1 2,-0.3 0.153 102.4 83.3 -83.1 20.0 -2.9 -12.8 -1.0 46 46 A L S < S- 0 0 55 -3,-1.5 -37,-2.5 1,-0.1 -36,-0.4 -0.816 82.6-107.4-120.9 161.1 0.9 -12.5 -1.0 47 47 A K B -A 8 0A 67 -39,-0.3 3,-0.4 -2,-0.3 4,-0.4 -0.245 23.5-114.1 -85.3 176.6 3.3 -11.7 1.9 48 48 A V S S+ 0 0 6 -41,-0.8 3,-0.5 1,-0.2 -1,-0.1 0.741 113.0 64.0 -81.1 -24.5 5.2 -8.5 2.7 49 49 A E S S+ 0 0 105 1,-0.2 -1,-0.2 43,-0.1 44,-0.1 0.697 101.4 52.7 -70.1 -19.0 8.5 -10.3 2.1 50 50 A D S S+ 0 0 68 -3,-0.4 2,-1.7 1,-0.1 -1,-0.2 0.640 81.7 93.7 -95.6 -17.6 7.6 -10.8 -1.5 51 51 A V + 0 0 16 -3,-0.5 -1,-0.1 -4,-0.4 -3,-0.0 -0.573 56.8 178.6 -84.3 84.1 6.7 -7.2 -2.4 52 52 A K >> - 0 0 128 -2,-1.7 3,-2.6 1,-0.1 4,-0.8 -0.478 46.8 -95.0 -78.7 158.6 10.0 -5.9 -3.9 53 53 A P H >> S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.791 122.9 64.0 -43.2 -39.5 10.3 -2.3 -5.2 54 54 A R H 3> S+ 0 0 174 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.786 96.9 57.3 -60.9 -27.2 9.6 -3.6 -8.8 55 55 A H H <> S+ 0 0 61 -3,-2.6 4,-2.8 2,-0.2 -1,-0.3 0.875 104.4 51.5 -69.4 -36.4 6.1 -4.6 -7.6 56 56 A I H S+ 0 0 1 -4,-3.4 4,-1.2 1,-0.2 5,-0.6 0.846 110.5 50.1 -65.9 -33.5 -3.4 2.1 -10.3 64 64 A M H <5S+ 0 0 94 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.864 115.9 44.2 -69.6 -33.9 -3.0 4.8 -12.9 65 65 A K H <5S+ 0 0 162 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.945 122.3 34.4 -74.3 -50.5 -4.5 2.5 -15.5 66 66 A R H <5S- 0 0 114 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.568 140.9 -2.9 -85.3 -9.8 -7.4 1.1 -13.4 67 67 A G T <5S- 0 0 37 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.096 100.6 -59.1-140.2-103.5 -7.9 4.4 -11.6 68 68 A A >< - 0 0 32 -5,-0.6 4,-1.3 1,-0.1 -3,-0.1 -0.983 32.6-112.7-157.6 157.8 -6.1 7.7 -11.7 69 69 A P H > S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.783 112.5 64.4 -65.6 -26.2 -2.6 9.3 -11.2 70 70 A S H >> S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.961 105.1 40.8 -62.2 -52.9 -4.1 11.1 -8.2 71 71 A I H 3> S+ 0 0 29 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.776 104.2 70.0 -69.2 -26.8 -4.8 8.0 -6.1 72 72 A A H 3X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.911 105.1 39.8 -54.8 -45.0 -1.5 6.5 -7.3 73 73 A N H X S+ 0 0 9 -4,-3.3 4,-2.2 1,-0.2 3,-0.5 0.930 112.5 52.7 -59.9 -48.3 -1.8 4.9 -2.1 76 76 A L H 3X S+ 0 0 16 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.856 104.2 59.0 -56.4 -36.1 2.0 5.3 -2.2 77 77 A R H 3X S+ 0 0 103 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.892 109.7 41.2 -61.0 -42.4 1.7 7.8 0.6 78 78 A W H S+ 0 0 0 -4,-2.2 5,-3.5 2,-0.2 6,-0.6 0.879 109.9 46.9 -65.6 -38.4 6.6 -3.4 8.9 87 87 A I H ><5S+ 0 0 43 -4,-2.7 3,-0.7 3,-0.2 -2,-0.2 0.879 109.4 51.8 -73.5 -38.1 10.2 -2.6 9.5 88 88 A K H 3<5S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 113.7 45.8 -71.3 -19.0 9.7 -1.8 13.2 89 89 A R T 3<5S- 0 0 109 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.478 115.1-128.2 -91.6 -8.0 8.0 -5.2 13.4 90 90 A H T < 5 + 0 0 110 -3,-0.7 -3,-0.2 2,-0.2 -2,-0.1 0.866 68.5 133.3 57.8 43.0 11.0 -6.5 11.4 91 91 A I S - 0 0 74 -2,-0.2 3,-3.2 1,-0.1 4,-0.2 -0.855 23.2-164.1-103.2 91.5 11.5 0.3 2.2 96 96 A P G > S+ 0 0 10 0, 0.0 3,-0.8 0, 0.0 -40,-0.1 0.709 89.3 61.7 -50.7 -21.0 10.4 -1.1 -1.2 97 97 A A G > S+ 0 0 4 1,-0.2 3,-2.0 2,-0.1 -17,-0.1 0.615 80.6 83.4 -80.8 -11.6 9.1 2.4 -2.0 98 98 A A G < S+ 0 0 72 -3,-3.2 -1,-0.2 1,-0.3 -18,-0.0 0.534 72.8 75.3 -71.9 -5.7 12.6 3.9 -1.6 99 99 A A G < S+ 0 0 65 -3,-0.8 -1,-0.3 -4,-0.2 2,-0.2 0.566 105.9 36.9 -77.0 -9.1 13.2 2.8 -5.3 100 100 A F S < S- 0 0 54 -3,-2.0 -43,-0.0 -4,-0.0 -3,-0.0 -0.631 106.6 -78.9-128.0-175.5 11.0 5.8 -6.1 101 101 A D + 0 0 140 -2,-0.2 -3,-0.1 1,-0.1 -2,-0.1 -0.826 40.6 177.3 -94.2 106.7 10.5 9.3 -4.8 102 102 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.511 21.0-165.0 -86.6 -5.7 8.2 9.0 -1.7 103 103 A G - 0 0 51 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.238 19.6-107.4 56.3-141.4 8.3 12.7 -0.9 104 104 A D + 0 0 134 1,-0.0 0, 0.0 3,-0.0 0, 0.0 -0.135 55.9 136.0-144.7-115.6 7.1 13.7 2.5 105 105 A A + 0 0 63 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.976 62.3 53.9 56.2 84.0 3.8 15.4 3.5 106 106 A G + 0 0 41 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.338 51.9 106.3 128.8 106.1 2.3 13.7 6.5 107 107 A G - 0 0 54 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.246 42.5-167.6-160.1 -53.8 3.7 12.9 10.0 108 108 A K - 0 0 144 2,-0.0 2,-0.2 0, 0.0 -84,-0.0 -0.103 23.9 -91.1 72.3-175.0 2.4 15.1 12.8 109 109 A L - 0 0 167 1,-0.1 2,-0.2 0, 0.0 -2,-0.0 -0.557 25.9-111.1-125.4-174.3 3.8 15.3 16.3 110 110 A E - 0 0 100 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.534 4.7-160.2-110.8 179.6 3.5 13.9 19.8 111 111 A H S S- 0 0 188 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.472 79.1 -51.8-131.1 -26.1 2.3 15.2 23.1 112 112 A H S S- 0 0 175 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.029 110.1 -25.3-176.7 -56.1 4.0 12.8 25.5 113 113 A H - 0 0 143 3,-0.0 2,-0.2 0, 0.0 -3,-0.0 -0.627 61.4-113.5-178.8 114.2 3.2 9.2 24.4 114 114 A H - 0 0 93 -2,-0.2 -91,-0.0 1,-0.2 -4,-0.0 -0.404 25.3-151.5 -53.3 118.2 0.3 7.8 22.4 115 115 A H 0 0 177 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.774 360.0 360.0 -70.3 -26.1 -1.5 5.7 24.9 116 116 A H 0 0 178 -94,-0.1 -1,-0.1 -93,-0.0 -3,-0.0 -0.983 360.0 360.0-154.6 360.0 -2.8 3.3 22.2