==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA RECOMBINATION 12-MAY-98 2BB8 . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.T.CLUBB,K.M.CONNOLLY,J.M.WOJCIAK . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 45.1 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 . 10 14.1 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 . 3 4.2 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 14.1 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+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 1 0 0 0 0 0 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 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A E 0 0 247 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.2 -15.2 12.7 11.5 2 4 A K - 0 0 154 1,-0.1 2,-0.2 8,-0.0 8,-0.0 -0.485 360.0-110.4 -82.7 154.6 -12.6 10.0 10.6 3 5 A R + 0 0 199 8,-0.2 8,-0.4 -2,-0.1 2,-0.3 -0.565 34.9 178.6 -87.3 152.0 -12.6 8.7 7.0 4 6 A R - 0 0 161 -2,-0.2 6,-0.2 6,-0.2 13,-0.1 -0.964 26.1-114.0-144.6 159.2 -13.6 5.2 5.9 5 7 A D - 0 0 12 4,-1.3 3,-0.3 -2,-0.3 -1,-0.0 -0.100 55.0 -75.4 -83.3-170.7 -13.9 3.4 2.5 6 8 A N S S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.1 13,-0.0 0.496 135.3 50.3 -65.6 1.9 -17.1 2.3 0.8 7 9 A R S S- 0 0 180 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.746 116.9-104.5-109.0 -36.6 -17.0 -0.5 3.4 8 10 A G + 0 0 37 1,-0.3 2,-0.3 -3,-0.3 -2,-0.1 0.450 69.2 142.8 120.2 9.0 -16.5 1.3 6.8 9 11 A R - 0 0 73 1,-0.1 -4,-1.3 0, 0.0 2,-1.1 -0.633 53.9-125.4 -82.2 136.2 -12.8 0.4 7.3 10 12 A I - 0 0 82 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.658 30.8-165.3 -83.1 101.0 -10.8 3.2 8.9 11 13 A L - 0 0 23 -2,-1.1 -8,-0.2 -8,-0.4 3,-0.1 -0.535 13.5-126.2 -85.7 152.2 -7.8 3.8 6.4 12 14 A K > - 0 0 132 1,-0.2 3,-0.7 -2,-0.2 -1,-0.1 -0.246 44.3 -51.6 -91.1-178.2 -4.8 5.8 7.5 13 15 A T T 3 S+ 0 0 137 1,-0.2 2,-1.5 -2,-0.1 -1,-0.2 -0.110 123.5 15.1 -50.1 147.0 -3.0 8.8 6.1 14 16 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.2 11,-0.1 13,-0.0 -0.147 98.8 111.1 79.3 -46.4 -2.0 8.5 2.4 15 17 A E < + 0 0 21 -2,-1.5 2,-0.3 -3,-0.7 10,-0.2 -0.258 45.0 172.4 -58.9 148.3 -4.3 5.5 1.8 16 18 A S E -A 24 0A 62 8,-1.7 8,-1.5 -3,-0.1 2,-0.4 -0.994 26.9-127.3-156.6 153.4 -7.2 6.4 -0.4 17 19 A Q E -A 23 0A 39 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.862 17.8-147.7-109.3 141.0 -10.1 4.5 -2.2 18 20 A R > - 0 0 96 4,-1.6 3,-0.7 -2,-0.4 6,-0.0 -0.466 31.9-106.2 -95.9 172.3 -11.0 4.7 -5.9 19 21 A K T 3 S+ 0 0 185 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.776 122.4 58.3 -70.2 -22.3 -14.5 4.5 -7.5 20 22 A D T 3 S- 0 0 92 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.718 116.3-117.3 -80.3 -16.6 -13.5 1.0 -8.7 21 23 A G S < S+ 0 0 18 -3,-0.7 -2,-0.1 1,-0.4 -15,-0.1 0.010 71.8 130.3 106.2 -29.2 -12.8 -0.0 -5.1 22 24 A R - 0 0 87 -5,-0.1 -4,-1.6 1,-0.1 -1,-0.4 -0.320 56.5-126.9 -59.6 139.2 -9.1 -0.8 -5.4 23 25 A Y E -AB 17 39A 9 16,-2.9 16,-1.2 -6,-0.2 2,-0.3 -0.281 21.2-157.0 -81.4 172.1 -7.1 1.0 -2.7 24 26 A L E +AB 16 38A 34 -8,-1.5 -8,-1.7 14,-0.2 2,-0.3 -0.961 12.4 175.7-153.3 134.3 -4.2 3.3 -3.3 25 27 A Y E - B 0 37A 45 12,-1.5 12,-2.2 -2,-0.3 2,-0.4 -0.883 17.2-141.9-134.0 165.0 -1.2 4.4 -1.1 26 28 A K E + B 0 36A 90 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.990 22.3 165.6-132.3 139.1 1.9 6.5 -1.8 27 29 A Y E - B 0 35A 22 8,-1.0 8,-2.0 -2,-0.4 2,-0.4 -0.934 34.6-107.3-144.4 167.6 5.5 6.1 -0.5 28 30 A I E - B 0 34A 92 -2,-0.3 2,-0.0 6,-0.2 5,-0.0 -0.808 29.1-143.4-101.8 139.5 9.0 7.5 -1.3 29 31 A D > - 0 0 19 4,-1.7 3,-1.2 -2,-0.4 37,-0.1 -0.226 37.3 -90.2 -88.1-176.4 11.6 5.3 -3.0 30 32 A S T 3 S+ 0 0 48 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.586 127.5 57.3 -71.5 -7.5 15.4 5.3 -2.3 31 33 A F T 3 S- 0 0 159 2,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.538 113.7-116.3-100.7 -6.7 15.8 8.0 -5.0 32 34 A G S < S+ 0 0 51 -3,-1.2 -2,-0.1 1,-0.3 -4,-0.0 0.481 71.9 133.7 87.7 0.1 13.4 10.4 -3.3 33 35 A E - 0 0 90 1,-0.1 -4,-1.7 -5,-0.0 -1,-0.3 -0.584 61.8-107.5 -84.5 148.6 10.9 10.2 -6.2 34 36 A P E -B 28 0A 75 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.550 40.4-179.8 -76.7 134.6 7.1 9.8 -5.4 35 37 A Q E -B 27 0A 38 -8,-2.0 -8,-1.0 -2,-0.3 2,-0.3 -0.802 14.0-148.6-126.8 170.7 5.5 6.3 -6.2 36 38 A F E -B 26 0A 112 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.998 5.1-156.3-141.5 144.3 2.1 4.8 -5.8 37 39 A V E -B 25 0A 15 -12,-2.2 -12,-1.5 -2,-0.3 2,-0.3 -0.882 6.1-156.4-120.6 152.9 0.9 1.3 -5.1 38 40 A Y E +B 24 0A 96 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.930 18.6 157.5-126.9 152.3 -2.5 -0.3 -6.0 39 41 A S E -B 23 0A 3 -16,-1.2 -16,-2.9 -2,-0.3 19,-0.1 -0.919 43.6-135.5-171.4 144.5 -4.3 -3.3 -4.4 40 42 A W S S+ 0 0 73 -2,-0.3 2,-0.3 -18,-0.2 7,-0.2 0.201 92.6 64.8 -88.9 18.1 -7.8 -4.8 -4.1 41 43 A K - 0 0 18 15,-0.2 17,-0.9 1,-0.1 3,-0.1 -0.998 54.7-168.7-140.9 145.2 -7.1 -5.4 -0.4 42 44 A L S S+ 0 0 7 -2,-0.3 17,-1.1 1,-0.2 2,-0.3 0.834 83.2 21.3 -98.4 -43.7 -6.4 -3.2 2.6 43 45 A V S > S- 0 0 53 14,-0.1 3,-1.3 15,-0.1 -1,-0.2 -0.768 84.9-109.2-119.3 165.9 -5.2 -5.9 5.1 44 46 A A T 3 S+ 0 0 56 -2,-0.3 11,-0.1 1,-0.2 -1,-0.0 0.648 116.1 61.8 -70.4 -12.3 -3.9 -9.4 4.4 45 47 A T T 3 S+ 0 0 126 2,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.553 84.3 98.4 -91.0 -6.4 -7.1 -10.9 5.8 46 48 A D < - 0 0 21 -3,-1.3 2,-0.3 1,-0.0 -5,-0.1 0.043 66.8-135.8 -67.5-173.0 -9.3 -9.2 3.1 47 49 A R - 0 0 187 -7,-0.2 -2,-0.1 7,-0.0 7,-0.0 -0.958 9.0-129.8-149.5 127.2 -10.5 -11.1 -0.0 48 50 A V - 0 0 3 -2,-0.3 3,-0.1 1,-0.1 -7,-0.1 -0.536 35.9-103.3 -77.8 146.1 -10.5 -9.9 -3.6 49 51 A P > - 0 0 69 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.320 51.9 -81.6 -64.9 147.4 -13.8 -10.4 -5.6 50 52 A A T 3 S+ 0 0 93 1,-0.2 3,-0.1 -2,-0.0 2,-0.0 -0.038 120.5 40.1 -44.8 152.6 -13.9 -13.3 -8.1 51 53 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.098 100.3 88.4 93.5 -38.0 -12.2 -12.4 -11.4 52 54 A K S < S- 0 0 97 -3,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.725 76.7-131.3 -93.1 141.4 -9.4 -10.5 -9.5 53 55 A R - 0 0 220 -2,-0.3 -13,-0.2 1,-0.2 -1,-0.1 -0.338 35.9 -77.4 -84.2 174.9 -6.3 -12.5 -8.5 54 56 A D - 0 0 130 -2,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.161 54.1-177.2 -61.7 164.5 -4.7 -12.5 -5.0 55 57 A C - 0 0 50 -3,-0.1 2,-0.6 -11,-0.1 -16,-0.1 -0.987 33.3 -95.2-160.1 159.1 -2.6 -9.5 -4.2 56 58 A I - 0 0 80 -2,-0.3 -15,-0.2 1,-0.1 5,-0.1 -0.702 45.1-118.6 -84.8 124.3 -0.4 -8.3 -1.4 57 59 A S > - 0 0 1 -2,-0.6 4,-1.9 1,-0.1 -15,-0.2 -0.129 23.9-115.0 -54.2 157.2 -2.3 -6.0 1.0 58 60 A L H > S+ 0 0 0 -17,-0.9 4,-3.8 2,-0.2 5,-0.3 0.976 112.7 58.8 -61.0 -55.3 -0.9 -2.4 1.2 59 61 A R H > S+ 0 0 88 -17,-1.1 4,-1.7 1,-0.3 -1,-0.2 0.901 112.0 41.7 -41.7 -49.2 0.2 -2.7 4.9 60 62 A E H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.882 117.1 48.9 -69.9 -35.2 2.4 -5.7 4.0 61 63 A K H X S+ 0 0 48 -4,-1.9 4,-3.6 -3,-0.2 3,-0.4 0.969 106.9 54.2 -69.1 -51.3 3.6 -3.9 0.8 62 64 A I H X S+ 0 0 29 -4,-3.8 4,-2.3 1,-0.3 5,-0.5 0.941 109.2 48.5 -48.2 -52.6 4.4 -0.6 2.5 63 65 A A H X S+ 0 0 53 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.3 0.883 116.8 44.0 -58.4 -36.4 6.7 -2.5 5.1 64 66 A E H X S+ 0 0 104 -4,-1.3 4,-2.6 -3,-0.4 5,-0.4 0.901 114.2 47.1 -77.6 -42.0 8.3 -4.3 2.2 65 67 A L H X S+ 0 0 38 -4,-3.6 4,-2.2 2,-0.2 5,-0.4 0.949 117.5 40.7 -68.8 -45.4 8.8 -1.4 -0.2 66 68 A Q H X S+ 0 0 101 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.916 124.2 40.6 -67.5 -39.8 10.2 1.1 2.3 67 69 A K H < S+ 0 0 159 -4,-1.1 -2,-0.2 -5,-0.5 -1,-0.2 0.782 123.4 37.5 -79.5 -29.0 12.3 -1.7 3.9 68 70 A D H < S+ 0 0 131 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.784 117.0 48.9 -95.3 -28.8 13.4 -3.4 0.6 69 71 A I H < S+ 0 0 54 -4,-2.2 2,-0.9 -5,-0.4 -3,-0.2 0.836 108.3 61.1 -76.9 -31.2 13.8 -0.3 -1.6 70 72 A H < 0 0 118 -4,-0.9 -1,-0.2 -5,-0.4 -41,-0.0 -0.773 360.0 360.0-100.7 99.2 15.9 1.3 1.2 71 73 A D 0 0 196 -2,-0.9 -1,-0.3 -3,-0.1 -2,-0.1 0.896 360.0 360.0 52.2 360.0 19.1 -0.7 1.9