==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 14-SEP-09 3JTZ . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR A.SZWAGIERCZAK,U.ANTONENKA,G.M.POPOWICZ,T.SITAR,T.A.HOLAK,A. . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 62.3 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 . 21 27.3 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 . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 5 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 23.4 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 1 0 0 0 0 0 0 0 0 1 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 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 105 0, 0.0 2,-0.2 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 157.7 9.7 19.8 21.8 2 3 A L - 0 0 12 17,-0.1 2,-0.3 58,-0.1 3,-0.1 -0.635 360.0-170.7-100.6 159.7 10.3 16.1 22.2 3 4 A T > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.929 38.5-113.6-132.1 161.9 8.3 13.2 23.3 4 5 A D H > S+ 0 0 61 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.904 118.8 53.3 -60.9 -38.9 9.6 9.8 24.0 5 6 A A H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 108.3 49.5 -63.3 -43.2 7.7 8.4 20.9 6 7 A K H > S+ 0 0 113 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.916 112.3 49.0 -60.0 -43.0 9.3 11.1 18.7 7 8 A I H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.948 110.8 48.6 -60.9 -49.6 12.7 10.1 20.1 8 9 A R H 3< S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.5 57.7 -66.5 -22.6 12.2 6.4 19.5 9 10 A T H 3< S+ 0 0 117 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.771 88.0 97.1 -77.2 -26.8 11.0 7.0 16.0 10 11 A L << - 0 0 51 -4,-1.1 -3,-0.0 -3,-0.8 3,-0.0 -0.254 60.6-162.0 -56.5 145.7 14.3 8.8 15.2 11 12 A K - 0 0 81 18,-0.1 18,-0.1 0, 0.0 -2,-0.1 -0.992 27.3-100.5-131.7 144.3 16.9 6.6 13.6 12 13 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 18,-0.1 -0.335 47.0-169.8 -52.4 141.2 20.6 7.0 13.2 13 14 A S - 0 0 52 2,-0.4 20,-0.1 16,-0.2 4,-0.1 -0.330 42.0 -80.2-119.4-158.4 21.4 8.4 9.7 14 15 A D S S+ 0 0 155 -2,-0.1 18,-0.0 1,-0.1 16,-0.0 0.461 114.2 41.2 -92.1 3.1 24.5 8.9 7.8 15 16 A K S S- 0 0 147 14,-0.1 -2,-0.4 16,-0.0 -1,-0.1 -0.997 92.8-100.6-145.1 145.1 25.3 12.1 9.6 16 17 A P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.337 46.3 177.8 -61.6 146.9 25.1 13.2 13.3 17 18 A F E -A 29 0A 56 12,-2.1 12,-3.2 -4,-0.1 2,-0.4 -0.977 21.3-137.2-148.0 161.1 22.1 15.3 14.1 18 19 A K E -A 28 0A 124 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.916 5.5-160.2-118.4 141.8 20.5 17.0 17.0 19 20 A V E -A 27 0A 30 8,-2.1 8,-2.6 -2,-0.4 2,-0.3 -0.996 21.4-139.0-121.5 128.7 16.8 17.2 18.0 20 21 A S E -A 26 0A 74 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.598 22.9-177.5 -90.7 141.2 15.9 19.9 20.4 21 22 A D - 0 0 7 4,-2.9 2,-0.3 -2,-0.3 -1,-0.2 0.771 58.9 -78.9 -89.6 -79.9 13.5 19.7 23.3 22 23 A S S > S+ 0 0 43 3,-0.3 3,-1.8 -21,-0.1 -1,-0.2 -0.938 99.1 35.6-171.2 164.8 13.7 23.4 24.5 23 24 A H T 3 S- 0 0 119 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 0.837 130.7 -45.6 53.9 43.7 15.8 25.8 26.5 24 25 A G T 3 S+ 0 0 16 1,-0.2 16,-2.4 15,-0.1 2,-0.4 0.279 104.9 126.0 90.2 -10.9 19.2 24.4 25.4 25 26 A L E < + B 0 39A 0 -3,-1.8 -4,-2.9 14,-0.2 2,-0.3 -0.693 29.8 158.2 -87.1 131.6 18.4 20.7 25.8 26 27 A Y E -AB 20 38A 15 12,-2.6 12,-2.7 -2,-0.4 2,-0.5 -0.979 37.7-128.1-147.1 160.8 19.0 18.4 22.8 27 28 A L E -AB 19 37A 0 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.6 -0.957 20.9-149.2-108.2 125.6 19.6 14.8 21.9 28 29 A L E -AB 18 36A 16 8,-3.1 8,-2.3 -2,-0.5 2,-0.5 -0.865 11.9-166.4 -97.0 121.7 22.6 14.1 19.7 29 30 A V E -AB 17 35A 0 -12,-3.2 -12,-2.1 -2,-0.6 6,-0.2 -0.946 6.1-164.2-113.6 118.6 22.0 11.0 17.5 30 31 A K > - 0 0 101 4,-2.4 3,-2.3 -2,-0.5 -15,-0.0 -0.687 31.7-113.5-104.7 156.1 25.1 9.6 15.8 31 32 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 0.829 114.9 60.0 -55.9 -34.6 25.3 7.2 12.8 32 33 A G T 3 S- 0 0 86 1,-0.1 -18,-0.0 -18,-0.0 -3,-0.0 0.499 125.4 -98.5 -74.2 -4.2 26.8 4.5 15.0 33 34 A G S < S+ 0 0 33 -3,-2.3 -1,-0.1 1,-0.3 2,-0.0 0.270 72.4 145.3 110.3 -12.8 23.7 4.5 17.2 34 35 A S - 0 0 58 -5,-0.1 -4,-2.4 20,-0.0 2,-0.4 -0.344 25.2-171.9 -58.3 135.4 24.7 6.7 20.1 35 36 A R E +B 29 0A 70 20,-0.3 20,-2.7 -6,-0.2 2,-0.4 -0.961 16.3 170.0-128.2 112.9 21.9 8.9 21.5 36 37 A H E -BC 28 54A 45 -8,-2.3 -8,-3.1 -2,-0.4 2,-0.3 -0.978 29.2-128.1-133.7 139.7 23.2 11.3 24.1 37 38 A W E +BC 27 53A 0 16,-2.9 15,-2.9 -2,-0.4 16,-0.8 -0.621 28.4 176.7 -85.0 138.9 21.7 14.3 25.9 38 39 A Y E -BC 26 51A 37 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.5 -0.978 20.0-151.5-136.2 151.6 23.4 17.7 26.0 39 40 A L E -BC 25 50A 2 11,-2.4 11,-2.3 -2,-0.3 2,-0.3 -0.989 15.2-153.1-120.4 123.2 22.6 21.1 27.4 40 41 A K E + C 0 49A 95 -16,-2.4 2,-0.3 -2,-0.5 9,-0.2 -0.689 16.3 178.7 -93.8 148.5 24.0 24.1 25.6 41 42 A Y E - C 0 48A 68 7,-2.4 7,-2.5 -2,-0.3 2,-0.4 -0.986 17.4-144.3-148.8 151.8 24.7 27.3 27.5 42 43 A R E + C 0 47A 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.978 15.7 177.3-127.1 128.0 26.1 30.7 26.6 43 44 A I E > S- C 0 46A 96 3,-2.7 3,-1.9 -2,-0.4 -2,-0.0 -0.992 71.3 -20.9-133.5 127.0 28.2 32.9 28.8 44 45 A S T 3 S- 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.878 128.7 -45.0 37.4 56.1 29.7 36.2 27.7 45 46 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.429 117.6 105.6 81.5 -0.7 29.5 35.4 24.0 46 47 A K E < -C 43 0A 153 -3,-1.9 -3,-2.7 2,-0.0 2,-0.5 -0.935 53.3-156.0-114.3 134.8 30.8 31.9 24.2 47 48 A E E +C 42 0A 122 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.921 19.7 162.5-112.0 132.6 28.7 28.8 23.9 48 49 A S E -C 41 0A 64 -7,-2.5 -7,-2.4 -2,-0.5 2,-0.3 -0.748 21.2-141.7-130.6-179.2 29.6 25.4 25.4 49 50 A R E -C 40 0A 119 -9,-0.2 2,-0.4 -2,-0.2 -9,-0.2 -0.987 1.5-147.7-142.9 155.3 27.6 22.3 26.1 50 51 A I E -C 39 0A 68 -11,-2.3 -11,-2.4 -2,-0.3 2,-0.3 -0.989 21.9-121.2-127.5 141.3 27.6 19.7 28.8 51 52 A A E -C 38 0A 59 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.542 21.1-174.5 -72.9 136.4 26.7 16.1 28.5 52 53 A L E - 0 0 13 -15,-2.9 -14,-0.2 1,-0.3 2,-0.1 0.447 52.6 -82.3-112.5 -5.9 23.8 14.9 30.6 53 54 A G E -C 37 0A 17 -16,-0.8 -16,-2.9 2,-0.0 -1,-0.3 -0.438 51.1 -57.2 127.7 165.8 23.9 11.2 29.8 54 55 A A E > -C 36 0A 45 -18,-0.2 4,-2.8 -2,-0.1 -18,-0.3 -0.539 60.1 -97.9 -79.5 141.0 23.0 8.5 27.4 55 56 A Y T 4 S+ 0 0 10 -20,-2.7 -20,-0.3 1,-0.3 4,-0.1 -0.841 101.1 21.0 -91.5 140.1 19.4 7.8 26.3 56 57 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -20,-0.0 -0.984 118.9 60.7 -93.5 3.0 17.5 5.8 27.3 57 58 A A T 4 S+ 0 0 87 1,-0.2 2,-0.6 2,-0.1 -2,-0.2 0.908 114.9 43.3 -53.2 -41.9 19.4 5.3 30.6 58 59 A I S < S- 0 0 43 -4,-2.8 -1,-0.2 4,-0.0 -6,-0.0 -0.950 97.3-147.7-101.1 113.8 18.6 9.0 31.1 59 60 A S > - 0 0 37 -2,-0.6 4,-2.6 -4,-0.1 5,-0.2 -0.248 26.0-104.5 -75.6 168.5 15.0 9.4 30.1 60 61 A L H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 124.1 51.9 -56.9 -44.1 13.5 12.5 28.5 61 62 A S H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 110.5 48.1 -61.2 -43.8 11.9 13.3 31.8 62 63 A D H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 109.9 51.1 -60.8 -46.4 15.2 13.0 33.6 63 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.891 108.7 53.2 -60.3 -39.9 17.1 15.1 31.1 64 65 A R H X S+ 0 0 71 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.900 108.8 48.2 -62.3 -40.5 14.4 17.8 31.5 65 66 A Q H X S+ 0 0 139 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 110.1 51.7 -68.6 -39.6 14.9 17.8 35.3 66 67 A Q H X S+ 0 0 70 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.943 110.6 49.9 -59.4 -44.2 18.6 18.1 34.9 67 68 A R H X S+ 0 0 18 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.919 108.3 52.2 -58.6 -46.3 18.0 21.0 32.6 68 69 A E H X S+ 0 0 52 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.912 111.1 47.2 -61.6 -38.8 15.7 22.7 35.1 69 70 A G H X S+ 0 0 38 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.960 112.8 48.6 -63.3 -50.2 18.3 22.4 37.8 70 71 A I H X S+ 0 0 38 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.895 106.5 56.5 -59.1 -40.2 21.1 23.7 35.5 71 72 A R H X S+ 0 0 94 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.885 105.3 52.2 -61.1 -34.7 19.0 26.7 34.4 72 73 A K H < S+ 0 0 146 -4,-1.4 4,-0.3 -3,-0.4 -1,-0.2 0.869 112.6 45.3 -68.7 -34.4 18.6 27.7 38.1 73 74 A M H >< S+ 0 0 122 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.902 110.4 52.1 -74.4 -42.0 22.3 27.6 38.5 74 75 A L H 3< S+ 0 0 64 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.823 91.1 77.7 -61.8 -32.1 23.0 29.5 35.3 75 76 A A T 3< S+ 0 0 61 -4,-1.7 2,-0.9 1,-0.3 -1,-0.3 0.748 70.3 99.6 -50.7 -25.3 20.6 32.2 36.5 76 77 A L < 0 0 137 -3,-1.5 -1,-0.3 -4,-0.3 -4,-0.0 -0.744 360.0 360.0 -96.0 83.1 23.6 33.2 38.6 77 78 A N 0 0 189 -2,-0.9 -3,-0.1 0, 0.0 -1,-0.0 -0.864 360.0 360.0-126.3 360.0 24.0 35.2 36.5