==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INTEGRASE/DNA 21-JAN-99 1TN9 . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.T.CLUBB,J.M.WOJCIAK,K.M.CONNOLLY . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 52.2 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 . 13 18.8 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 4.3 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 1 0 0 0 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 . 1 0 1 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 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.4 16.8 -9.6 7.4 2 4 A K - 0 0 124 10,-0.0 2,-0.6 11,-0.0 10,-0.1 -0.995 360.0-108.0-153.9 146.9 14.0 -8.0 9.5 3 5 A R - 0 0 102 8,-0.3 8,-2.3 -2,-0.3 2,-0.3 -0.655 39.5-169.8 -80.0 118.0 11.5 -5.2 8.9 4 6 A R B -A 10 0A 142 -2,-0.6 6,-0.2 6,-0.2 13,-0.0 -0.745 17.0-123.4-105.6 155.2 12.5 -2.2 11.0 5 7 A D - 0 0 11 4,-2.5 -1,-0.1 -2,-0.3 12,-0.1 -0.015 46.4 -79.1 -81.8-166.0 10.3 0.9 11.6 6 8 A N S S+ 0 0 79 15,-0.3 -1,-0.1 2,-0.0 16,-0.0 0.359 125.1 24.4 -79.2 10.6 11.4 4.5 10.8 7 9 A R S S- 0 0 214 2,-0.2 -3,-0.0 0, 0.0 3,-0.0 0.288 123.1 -62.9-134.2 -93.9 13.4 4.5 14.0 8 10 A G S S+ 0 0 50 -4,-0.0 2,-0.2 2,-0.0 -2,-0.0 0.265 87.7 116.7-151.5 8.6 14.8 1.3 15.7 9 11 A R - 0 0 98 1,-0.0 -4,-2.5 -5,-0.0 2,-0.5 -0.598 63.8-123.1 -84.7 145.2 11.7 -0.7 16.7 10 12 A I B -A 4 0A 94 -2,-0.2 -6,-0.2 -6,-0.2 2,-0.2 -0.760 22.5-150.7 -90.6 124.8 11.2 -4.2 15.0 11 13 A L - 0 0 4 -8,-2.3 -8,-0.3 -2,-0.5 2,-0.2 -0.555 19.8-114.0 -88.7 157.7 7.8 -4.5 13.1 12 14 A K > - 0 0 139 -2,-0.2 3,-1.7 1,-0.2 -1,-0.1 -0.552 44.1 -81.7 -88.8 157.7 6.2 -8.0 12.8 13 15 A T T 3 S+ 0 0 115 1,-0.2 2,-1.8 -2,-0.2 -1,-0.2 0.045 119.0 36.0 -47.3 168.3 5.8 -9.7 9.4 14 16 A G T 3 S+ 0 0 36 1,-0.2 12,-1.3 -3,-0.1 -1,-0.2 -0.021 109.6 82.8 74.7 -41.2 2.8 -8.5 7.4 15 17 A E E < +B 25 0B 12 -2,-1.8 2,-0.2 -3,-1.7 10,-0.2 -0.510 49.7 131.2 -92.1 164.1 3.5 -5.0 8.8 16 18 A S E -B 24 0B 49 8,-1.4 8,-1.2 -2,-0.2 2,-0.3 -0.849 51.2 -82.4-176.0-147.0 6.0 -2.5 7.5 17 19 A Q E -B 23 0B 52 6,-0.3 6,-0.2 -2,-0.2 5,-0.1 -0.960 27.3-135.6-150.3 129.3 6.1 1.2 6.5 18 20 A R - 0 0 98 4,-1.6 6,-0.1 -2,-0.3 3,-0.1 0.360 46.6 -86.3 -60.0-153.3 5.1 3.0 3.3 19 21 A K S S+ 0 0 169 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.678 126.4 61.0 -94.7 -20.5 7.4 5.7 1.8 20 22 A D S S- 0 0 87 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.524 118.1-109.1 -83.6 -2.9 5.9 8.5 4.0 21 23 A G S S+ 0 0 14 1,-0.3 -15,-0.3 -3,-0.1 -2,-0.1 0.262 78.6 130.7 94.6 -14.1 7.1 6.6 7.1 22 24 A R - 0 0 58 1,-0.1 -4,-1.6 -5,-0.1 -1,-0.3 -0.228 65.2 -99.5 -67.5 164.3 3.5 5.7 8.1 23 25 A Y E -BC 17 39B 21 16,-2.4 16,-1.3 -6,-0.2 2,-0.4 -0.599 37.9-169.4 -87.1 149.0 2.8 2.0 9.0 24 26 A L E -BC 16 38B 19 -8,-1.2 -8,-1.4 -2,-0.2 2,-0.5 -0.996 12.1-165.0-137.7 142.5 1.2 -0.3 6.4 25 27 A Y E -BC 15 37B 52 12,-1.6 12,-0.7 -2,-0.4 2,-0.4 -0.861 11.0-175.2-131.0 97.9 -0.2 -3.9 6.8 26 28 A K E + C 0 36B 104 -12,-1.3 2,-0.3 -2,-0.5 10,-0.2 -0.752 12.7 164.1 -92.2 137.1 -0.7 -5.7 3.5 27 29 A Y E - C 0 35B 48 8,-1.0 8,-0.9 -2,-0.4 2,-0.6 -0.968 42.7-111.9-156.4 138.2 -2.4 -9.2 3.7 28 30 A I E - C 0 34B 119 -2,-0.3 -2,-0.0 6,-0.2 2,-0.0 -0.545 40.5-156.0 -70.2 112.6 -4.0 -11.6 1.3 29 31 A D > - 0 0 22 4,-0.8 3,-0.9 -2,-0.6 4,-0.2 -0.182 35.6 -91.8 -81.1-179.2 -7.7 -11.6 2.3 30 32 A S T 3 S+ 0 0 129 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.318 119.5 72.9 -77.4 13.8 -10.2 -14.5 1.6 31 33 A F T 3 S- 0 0 173 2,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.759 110.9-111.6 -96.4 -30.0 -11.0 -12.7 -1.7 32 34 A G S < S+ 0 0 62 -3,-0.9 -2,-0.1 1,-0.2 -4,-0.1 0.693 86.8 91.3 104.8 27.4 -7.7 -13.5 -3.5 33 35 A E S S- 0 0 120 -4,-0.2 -4,-0.8 -6,-0.1 -1,-0.2 -0.916 81.6-101.8-154.3 124.7 -6.3 -10.0 -3.6 34 36 A P E -C 28 0B 60 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 0.099 34.7-139.6 -39.8 155.9 -3.9 -8.2 -1.1 35 37 A Q E -C 27 0B 66 -8,-0.9 -8,-1.0 -10,-0.0 2,-0.6 -0.986 4.3-141.9-127.9 131.6 -5.6 -5.6 1.3 36 38 A F E +C 26 0B 98 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.812 18.2 179.9 -96.4 122.7 -4.1 -2.2 2.2 37 39 A V E -C 25 0B 18 -12,-0.7 -12,-1.6 -2,-0.6 2,-0.3 -0.971 13.5-158.1-119.6 121.0 -4.6 -1.0 5.8 38 40 A Y E +C 24 0B 94 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.686 22.3 149.3-100.6 156.2 -3.1 2.4 6.7 39 41 A S E -C 23 0B 3 -16,-1.3 -16,-2.4 -2,-0.3 18,-0.1 -0.909 35.0-153.6-175.8 148.8 -2.1 3.8 10.1 40 42 A W S S+ 0 0 51 -2,-0.3 2,-0.5 -18,-0.2 7,-0.2 0.727 83.9 63.9-102.1 -30.4 0.5 6.2 11.5 41 43 A K - 0 0 18 1,-0.2 17,-1.9 14,-0.1 18,-0.4 -0.817 64.2-157.1 -97.1 129.6 0.7 4.8 15.1 42 44 A L S S+ 0 0 17 -2,-0.5 17,-1.1 15,-0.2 2,-0.3 0.882 88.6 15.7 -71.5 -31.5 1.9 1.2 15.5 43 45 A V S > S- 0 0 46 15,-0.1 2,-2.6 16,-0.1 3,-1.2 -0.925 93.6 -99.5-135.8 158.9 -0.0 1.1 18.8 44 46 A A T 3 S+ 0 0 60 -2,-0.3 12,-0.0 1,-0.2 -2,-0.0 -0.248 112.3 62.0 -77.3 58.9 -2.7 3.4 20.2 45 47 A T T 3 S+ 0 0 113 -2,-2.6 -1,-0.2 2,-0.1 -4,-0.0 0.408 82.9 79.6-148.9 -28.1 -0.3 5.3 22.4 46 48 A D S < S- 0 0 51 -3,-1.2 2,-0.2 1,-0.1 -5,-0.1 0.296 75.0-120.3 -67.4-155.0 2.2 7.0 20.0 47 49 A R - 0 0 219 -7,-0.2 -1,-0.1 -3,-0.0 -2,-0.1 -0.598 13.3-122.1-135.2-162.5 1.4 10.2 18.0 48 50 A V - 0 0 41 -2,-0.2 4,-0.2 -7,-0.1 3,-0.1 -0.954 35.0 -91.6-153.8 131.8 1.1 11.3 14.4 49 51 A P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 -9,-0.0 -0.046 56.3 -97.3 -41.0 132.4 2.8 14.1 12.4 50 52 A A T 3 S+ 0 0 103 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.221 112.4 36.5 -53.5 141.9 0.8 17.4 12.5 51 53 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.222 93.4 112.4 97.4 -16.0 -1.4 17.8 9.4 52 54 A K S < S- 0 0 97 -3,-1.9 -1,-0.4 -4,-0.2 2,-0.1 -0.535 72.7-107.3 -88.2 157.4 -2.1 14.0 9.2 53 55 A R - 0 0 222 -2,-0.2 2,-0.2 -3,-0.1 -13,-0.1 -0.380 34.6-110.1 -78.9 162.2 -5.6 12.5 9.9 54 56 A D + 0 0 141 -2,-0.1 2,-0.3 -15,-0.0 -1,-0.1 -0.570 45.2 153.9 -91.1 157.4 -6.4 10.6 13.1 55 57 A A - 0 0 28 -2,-0.2 2,-0.2 0, 0.0 -14,-0.1 -0.960 48.7 -85.7-172.4 157.8 -7.0 6.8 13.2 56 58 A I - 0 0 84 -2,-0.3 5,-0.2 1,-0.1 -15,-0.1 -0.520 62.0 -90.8 -74.3 141.0 -6.7 3.9 15.6 57 59 A S >> - 0 0 0 -2,-0.2 4,-1.9 1,-0.1 3,-1.7 -0.048 38.1-108.6 -45.8 152.1 -3.2 2.4 15.5 58 60 A L H 3> S+ 0 0 0 -17,-1.9 4,-3.6 1,-0.3 5,-0.4 0.914 121.7 63.8 -53.6 -39.6 -2.8 -0.4 12.9 59 61 A R H 3> S+ 0 0 113 -17,-1.1 4,-1.8 -18,-0.4 -1,-0.3 0.851 104.2 47.2 -55.3 -30.2 -2.7 -2.8 15.9 60 62 A E H <> S+ 0 0 85 -3,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.913 113.7 45.9 -79.1 -40.3 -6.3 -1.7 16.6 61 63 A K H >X S+ 0 0 61 -4,-1.9 4,-1.4 -5,-0.2 3,-1.3 0.982 114.9 47.5 -63.9 -52.0 -7.4 -2.1 13.0 62 64 A I H >X S+ 0 0 23 -4,-3.6 4,-2.5 1,-0.3 3,-0.6 0.934 104.2 61.3 -53.4 -47.8 -5.7 -5.5 12.8 63 65 A A H 3X S+ 0 0 9 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.3 0.828 102.4 53.1 -52.3 -29.0 -7.3 -6.6 16.1 64 66 A E H <<>S+ 0 0 70 -3,-1.3 5,-0.5 -4,-1.0 -1,-0.3 0.890 108.5 48.6 -75.2 -36.3 -10.7 -6.1 14.4 65 67 A L H <<5S+ 0 0 71 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.872 117.7 40.5 -70.7 -35.8 -9.6 -8.4 11.5 66 68 A Q H <5S+ 0 0 137 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.878 121.8 42.2 -81.2 -37.7 -8.4 -11.1 13.9 67 69 A K T <5S- 0 0 126 -4,-2.1 2,-0.2 -5,-0.3 -3,-0.2 0.837 122.0 -65.0 -73.2-103.4 -11.3 -10.7 16.4 68 70 A D T 5 0 0 151 -5,-0.2 -3,-0.2 1,-0.1 -2,-0.1 -0.649 360.0 360.0-156.9 93.6 -14.7 -10.3 14.7 69 71 A I < 0 0 158 -5,-0.5 -4,-0.1 -2,-0.2 -1,-0.1 0.880 360.0 360.0 -86.3 360.0 -15.5 -7.2 12.6