==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-98 1A5W . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT- . AUTHOR J.LUBKOWSKI,F.YANG,J.ALEXANDRATOS,A.WLODAWER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 1 1 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 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 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 54 A G 0 0 113 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.5 23.6 29.4 54.3 2 55 A L + 0 0 187 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.476 360.0 56.7 -44.7 -15.0 24.5 26.1 52.5 3 56 A G S S- 0 0 45 1,-0.1 2,-0.2 0, 0.0 28,-0.0 -0.485 97.7 -80.2-108.9-173.0 28.0 27.5 52.0 4 57 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.551 51.7 -99.7 -86.3 153.9 30.8 28.8 54.1 5 58 A L - 0 0 120 -2,-0.2 2,-1.3 1,-0.1 26,-0.0 -0.407 38.7-101.7 -68.4 158.6 30.8 32.4 55.4 6 59 A Q + 0 0 36 55,-0.1 57,-2.5 24,-0.1 58,-1.5 -0.695 62.2 152.1 -85.6 88.1 32.9 35.1 53.5 7 60 A I E -a 64 0A 50 -2,-1.3 23,-1.9 56,-0.2 24,-0.4 -0.996 25.7-159.8-124.6 131.2 35.9 35.4 55.8 8 61 A W E -aB 65 29A 0 56,-2.1 58,-2.9 -2,-0.4 2,-0.4 -0.794 9.7-150.8-107.5 156.5 39.4 36.4 54.7 9 62 A Q E -aB 66 28A 18 19,-2.3 19,-2.9 -2,-0.3 2,-0.4 -0.990 22.4-176.3-120.4 131.0 42.8 35.9 56.2 10 63 A T E + B 0 27A 1 56,-1.9 58,-0.3 -2,-0.4 2,-0.3 -0.981 11.2 150.9-128.9 139.6 45.4 38.6 55.3 11 64 A D E - B 0 26A 8 15,-2.3 15,-3.1 -2,-0.4 2,-0.4 -0.898 36.2-115.2-150.4 176.9 49.1 39.0 56.1 12 65 A F E - B 0 25A 29 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.946 25.4-174.0-114.0 143.3 52.3 40.5 54.7 13 66 A T E - B 0 24A 15 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.989 24.1-121.4-137.7 143.6 55.3 38.5 53.6 14 67 A L E + B 0 23A 80 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.752 27.6 176.0 -91.0 128.6 58.7 39.8 52.6 15 68 A E > - 0 0 16 7,-2.9 3,-2.7 -2,-0.4 4,-0.1 -0.775 11.2-170.8-133.8 91.0 60.0 38.9 49.0 16 69 A P G > S+ 0 0 87 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.733 82.2 71.7 -59.0 -20.8 63.4 40.5 48.2 17 70 A R G 3 S+ 0 0 53 1,-0.3 110,-2.7 109,-0.1 108,-0.1 0.664 97.9 51.3 -66.3 -14.3 63.1 39.4 44.6 18 71 A M G X S+ 0 0 0 -3,-2.7 3,-0.7 108,-0.2 -1,-0.3 0.167 95.4 171.2-106.7 12.4 60.3 42.0 44.2 19 72 A A T < + 0 0 25 -3,-1.7 108,-0.1 1,-0.3 22,-0.1 -0.334 54.2 37.8 -61.0 147.7 62.3 44.9 45.6 20 73 A P T 3 S+ 0 0 88 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 -0.966 136.1 32.6 -74.4 -16.6 62.0 47.9 45.9 21 74 A R S < S+ 0 0 120 -3,-0.7 20,-0.2 1,-0.2 19,-0.2 -0.512 79.4 145.5 -99.4 68.8 58.3 47.0 46.5 22 75 A S + 0 0 19 -2,-1.3 -7,-2.9 19,-0.3 2,-0.8 0.411 33.5 100.0 -93.2 1.1 59.1 43.7 48.2 23 76 A W E -BC 14 40A 82 17,-2.5 17,-2.5 -9,-0.2 2,-0.6 -0.818 57.9-160.9 -89.3 111.2 56.3 43.6 50.8 24 77 A L E -BC 13 39A 0 -11,-2.8 -11,-2.3 -2,-0.8 2,-0.5 -0.851 6.0-153.7 -92.8 119.6 53.6 41.3 49.5 25 78 A A E -BC 12 38A 0 13,-2.4 13,-1.7 -2,-0.6 2,-0.4 -0.865 19.3-167.5 -87.2 127.4 50.1 41.6 51.0 26 79 A V E -BC 11 37A 0 -15,-3.1 -15,-2.3 -2,-0.5 2,-0.4 -0.973 11.1-174.5-124.8 130.9 48.4 38.3 50.7 27 80 A T E -BC 10 36A 0 9,-2.3 9,-2.2 -2,-0.4 2,-0.5 -0.992 6.2-163.7-125.0 124.5 44.7 37.6 51.3 28 81 A V E -BC 9 35A 5 -19,-2.9 -19,-2.3 -2,-0.4 2,-0.9 -0.955 14.2-144.7-102.1 131.3 43.1 34.1 51.2 29 82 A D E >> -B 8 0A 9 5,-2.8 4,-3.3 -2,-0.5 3,-1.3 -0.845 10.7-159.8 -90.0 104.8 39.3 33.9 50.9 30 83 A T T 34 S+ 0 0 46 -23,-1.9 -1,-0.2 -2,-0.9 -22,-0.1 0.751 86.9 59.5 -62.0 -19.4 38.6 30.9 53.1 31 84 A A T 34 S+ 0 0 36 -24,-0.4 -1,-0.3 1,-0.1 -25,-0.1 0.731 126.3 13.4 -78.3 -26.0 35.2 30.4 51.3 32 85 A S T <4 S- 0 0 70 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.507 92.5-126.8-123.3 -13.8 36.8 29.9 47.8 33 86 A S < + 0 0 71 -4,-3.3 -3,-0.2 1,-0.3 2,-0.0 0.471 57.4 154.9 67.3 11.2 40.4 29.4 48.6 34 87 A A - 0 0 22 -5,-0.4 -5,-2.8 -6,-0.1 2,-0.4 -0.348 32.8-145.5 -67.8 146.1 41.0 32.3 46.1 35 88 A I E -C 28 0A 16 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.930 14.3-172.5-118.6 130.0 44.2 34.2 46.6 36 89 A V E -C 27 0A 2 -9,-2.2 -9,-2.3 -2,-0.4 2,-0.4 -0.993 9.8-178.2-116.9 133.1 44.7 38.0 46.0 37 90 A V E +C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.985 5.7 179.1-136.2 136.9 48.2 39.5 46.2 38 91 A T E -C 25 0A 21 -13,-1.7 -13,-2.4 -2,-0.4 2,-0.4 -0.966 25.1-120.0-130.1 162.0 49.5 43.1 45.8 39 92 A Q E +C 24 0A 15 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.809 29.1 178.9-108.2 139.5 53.0 44.6 46.1 40 93 A H E -C 23 0A 20 -17,-2.5 -17,-2.5 -2,-0.4 3,-0.1 -0.976 32.3-144.8-142.8 147.5 54.0 47.4 48.5 41 94 A G S S+ 0 0 40 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.3 0.815 89.7 14.7 -79.9 -25.3 57.2 49.3 49.4 42 95 A R S S- 0 0 184 -19,-0.1 2,-1.1 -21,-0.1 -1,-0.2 -0.971 75.6-113.9-149.9 152.5 56.3 49.4 53.1 43 96 A V + 0 0 49 -2,-0.3 2,-0.2 -3,-0.1 29,-0.1 -0.719 59.3 140.7 -92.4 92.4 54.0 47.7 55.6 44 97 A T > - 0 0 44 -2,-1.1 4,-2.0 1,-0.1 5,-0.1 -0.662 67.8-101.9-125.5 173.8 51.7 50.5 56.7 45 98 A S H > S+ 0 0 24 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.932 124.5 51.7 -60.4 -41.8 48.1 51.0 57.6 46 99 A V H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.821 105.2 53.5 -68.3 -36.5 47.6 52.5 54.1 47 100 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 110.1 48.7 -61.0 -45.4 49.3 49.6 52.3 48 101 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.947 113.4 47.4 -59.2 -45.4 46.8 47.2 54.1 49 102 A Q H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.893 111.7 49.1 -62.6 -44.5 43.9 49.4 53.1 50 103 A H H X S+ 0 0 116 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.915 111.2 51.8 -62.1 -38.0 45.1 49.7 49.5 51 104 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.954 111.7 44.9 -64.7 -48.6 45.5 45.9 49.4 52 105 A W H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.816 106.8 59.4 -67.1 -31.0 42.0 45.3 50.7 53 106 A A H X S+ 0 0 46 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.936 111.1 42.7 -60.1 -43.1 40.5 47.9 48.3 54 107 A T H X S+ 0 0 63 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.923 112.5 52.2 -66.9 -46.2 41.9 45.8 45.5 55 108 A A H X S+ 0 0 0 -4,-2.4 4,-3.9 1,-0.2 5,-0.5 0.906 107.5 53.5 -62.1 -36.3 40.8 42.5 47.1 56 109 A I H X S+ 0 0 18 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.883 107.7 49.8 -63.8 -39.0 37.2 43.9 47.4 57 110 A A H < S+ 0 0 90 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.831 120.3 38.1 -67.8 -30.1 37.1 44.7 43.7 58 111 A V H < S+ 0 0 83 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.2 0.885 133.2 18.9 -90.3 -38.1 38.4 41.2 42.9 59 112 A L H < S- 0 0 39 -4,-3.9 -3,-0.2 1,-0.3 -2,-0.2 0.539 101.8-115.6-110.0 -19.4 36.5 39.1 45.5 60 113 A G < - 0 0 31 -4,-1.8 -1,-0.3 -5,-0.5 -2,-0.1 -0.351 53.5 -43.6 99.1 171.0 33.6 41.1 46.7 61 114 A R - 0 0 146 -2,-0.1 -55,-0.1 -4,-0.1 2,-0.1 -0.710 59.9-147.5 -79.1 119.1 33.0 42.5 50.2 62 115 A P - 0 0 2 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.359 15.2-129.9 -79.3 169.4 33.7 39.9 52.9 63 116 A K S S+ 0 0 131 -57,-2.5 25,-2.4 1,-0.3 2,-0.3 0.841 88.1 1.1 -81.8 -37.3 31.8 39.7 56.3 64 117 A A E -ad 7 88A 14 -58,-1.5 -56,-2.1 23,-0.2 2,-0.4 -0.982 58.7-147.5-150.8 155.6 35.0 39.6 58.3 65 118 A I E -ad 8 89A 0 23,-2.0 25,-2.9 -2,-0.3 2,-0.5 -0.995 13.5-152.2-126.3 133.1 38.8 39.7 57.9 66 119 A K E +ad 9 90A 42 -58,-2.9 -56,-1.9 -2,-0.4 2,-0.2 -0.923 28.9 150.2-107.4 123.8 41.2 37.8 60.2 67 120 A T - 0 0 1 23,-1.8 25,-0.4 -2,-0.5 2,-0.2 -0.785 43.5 -98.1-133.3-174.1 44.7 39.2 60.7 68 121 A D - 0 0 69 -58,-0.3 2,-0.2 -2,-0.2 5,-0.1 -0.423 51.6 -82.7 -95.4-169.0 47.2 39.2 63.5 69 122 A N S S+ 0 0 133 -2,-0.2 5,-0.1 4,-0.1 22,-0.0 0.093 74.1 150.6 -87.3 29.8 47.8 42.0 66.0 70 123 A G >> - 0 0 20 -2,-0.2 4,-1.3 1,-0.1 3,-1.1 -0.278 55.4-124.3 -62.8 148.9 50.0 43.9 63.6 71 124 A S H 3> S+ 0 0 94 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.813 112.1 57.6 -62.5 -39.6 50.0 47.7 64.0 72 125 A C H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -23,-0.1 0.754 114.1 41.7 -61.2 -22.5 49.0 48.2 60.3 73 126 A F H <4 S+ 0 0 5 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.636 119.8 41.3 -97.2 -19.9 46.0 46.0 61.2 74 127 A T H < S+ 0 0 56 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.2 0.388 84.3 118.0-114.6 6.4 45.2 47.5 64.6 75 128 A S S X S- 0 0 30 -4,-1.1 4,-2.4 -5,-0.2 5,-0.1 -0.182 75.3-115.7 -68.9 165.5 45.8 51.2 64.0 76 129 A K H > S+ 0 0 150 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 117.4 57.0 -68.6 -36.7 42.9 53.7 64.3 77 130 A S H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 111.1 40.5 -56.7 -52.7 43.3 54.4 60.6 78 131 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 111.9 55.8 -69.9 -34.4 42.7 50.8 59.7 79 132 A R H X S+ 0 0 151 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.923 111.2 45.6 -62.1 -40.7 40.0 50.4 62.3 80 133 A E H X S+ 0 0 92 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.870 108.3 54.9 -71.1 -40.0 38.1 53.3 60.7 81 134 A W H X S+ 0 0 30 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.938 110.7 46.0 -58.9 -46.4 38.6 52.1 57.1 82 135 A L H X>S+ 0 0 3 -4,-2.1 5,-2.8 2,-0.2 4,-0.8 0.871 112.3 51.7 -64.6 -37.9 37.0 48.6 58.0 83 136 A A H ><5S+ 0 0 66 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.908 106.0 54.3 -63.3 -42.3 34.1 50.4 59.9 84 137 A R H 3<5S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.880 114.0 42.0 -60.4 -38.9 33.5 52.6 56.8 85 138 A W H 3<5S- 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.562 111.3-120.1 -82.9 -12.7 33.2 49.4 54.7 86 139 A G T <<5 + 0 0 50 -4,-0.8 2,-0.5 -3,-0.6 -3,-0.2 0.837 61.2 148.1 76.0 31.9 31.1 47.5 57.3 87 140 A I < - 0 0 9 -5,-2.8 -1,-0.2 -6,-0.1 -23,-0.2 -0.891 44.5-132.7-106.9 127.4 33.7 44.7 57.6 88 141 A A E -d 64 0A 57 -25,-2.4 -23,-2.0 -2,-0.5 2,-0.5 -0.446 17.8-144.5 -72.1 145.5 34.2 42.9 60.9 89 142 A H E +d 65 0A 70 -25,-0.2 2,-0.2 -2,-0.1 -23,-0.2 -0.951 25.4 170.9-118.9 128.3 37.8 42.5 62.1 90 143 A T E -d 66 0A 63 -25,-2.9 -23,-1.8 -2,-0.5 2,-0.2 -0.666 17.4-143.7-131.0 178.5 38.8 39.4 63.9 91 144 A T - 0 0 75 -25,-0.2 -23,-0.1 -2,-0.2 8,-0.0 -0.724 38.7 -62.8-138.4 173.7 41.8 37.5 65.2 92 145 A G - 0 0 23 -25,-0.4 -1,-0.1 -2,-0.2 7,-0.1 -0.297 53.6-124.2 -58.9 154.8 43.2 34.0 65.7 93 146 A I - 0 0 116 5,-0.3 -1,-0.1 6,-0.2 2,-0.1 -0.021 22.1-101.6 -89.7-175.1 41.4 31.7 68.1 94 147 A P S S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.189 74.5 91.7 -92.3-161.9 42.5 29.7 71.2 95 148 A G S S- 0 0 65 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 0.930 118.6 -58.1 80.9 48.5 43.5 26.1 71.7 96 149 A N S S+ 0 0 176 1,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.633 99.1 151.2 56.0 17.6 47.2 26.2 71.1 97 150 A S - 0 0 63 -3,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.380 37.6-140.9 -79.9 150.8 46.3 27.6 67.7 98 151 A Q - 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