==== 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 1A5X . 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) . 8164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 69.2 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 . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.8 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 1 0 1 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 0 126 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.5 21.7 28.3 55.2 2 55 A L + 0 0 185 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.818 360.0 79.9-141.5 96.4 24.3 25.8 54.1 3 56 A G S S- 0 0 65 -2,-0.3 2,-0.0 0, 0.0 28,-0.0 -0.860 82.4 -70.5 172.7 158.1 27.6 27.1 52.6 4 57 A P - 0 0 97 0, 0.0 27,-0.1 0, 0.0 -2,-0.1 -0.344 49.1-111.7 -79.2 145.1 30.8 28.5 54.0 5 58 A L - 0 0 113 1,-0.1 2,-1.5 25,-0.1 26,-0.0 -0.366 32.2-106.4 -70.5 152.4 30.9 32.0 55.6 6 59 A Q + 0 0 43 24,-0.1 57,-2.5 25,-0.1 58,-1.4 -0.638 60.6 149.1 -86.1 84.5 32.8 34.8 53.8 7 60 A I E -a 64 0A 49 -2,-1.5 23,-2.1 56,-0.2 24,-0.4 -0.973 27.4-159.7-122.1 128.3 35.9 35.1 56.0 8 61 A W E -aB 65 29A 0 56,-2.2 58,-2.7 -2,-0.4 2,-0.4 -0.757 8.4-149.9-102.4 159.3 39.3 36.2 54.7 9 62 A Q E -aB 66 28A 17 19,-2.3 19,-2.6 -2,-0.3 2,-0.4 -0.999 20.4-172.3-123.1 133.5 42.8 35.7 56.2 10 63 A T E + B 0 27A 0 56,-2.1 58,-0.4 -2,-0.4 2,-0.3 -0.962 11.9 156.0-129.4 143.6 45.3 38.4 55.4 11 64 A D E - B 0 26A 20 15,-1.9 15,-2.7 -2,-0.4 2,-0.4 -0.942 33.3-122.9-156.4 162.0 49.1 38.6 56.1 12 65 A F E - B 0 25A 19 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.946 25.1-174.9-111.7 141.0 52.2 40.3 54.8 13 66 A T E - B 0 24A 23 11,-2.4 11,-2.8 -2,-0.4 2,-0.5 -0.975 23.2-122.9-135.3 144.9 55.3 38.4 53.7 14 67 A L E + B 0 23A 81 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.780 27.5 174.6 -90.4 131.8 58.7 39.6 52.6 15 68 A E > - 0 0 14 7,-2.7 3,-2.2 -2,-0.5 -2,-0.0 -0.838 13.1-168.8-138.7 94.4 60.0 38.7 49.1 16 69 A P G > S+ 0 0 88 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.721 82.4 72.6 -59.3 -22.6 63.3 40.4 48.1 17 70 A R G 3 S+ 0 0 51 1,-0.3 110,-2.6 109,-0.1 108,-0.1 0.720 97.7 51.6 -62.5 -18.4 63.0 39.2 44.5 18 71 A M G X S+ 0 0 0 -3,-2.2 3,-0.7 108,-0.2 -1,-0.3 0.181 95.5 173.4-103.7 12.3 60.2 41.8 44.2 19 72 A A T < + 0 0 27 -3,-1.7 22,-0.1 1,-0.3 108,-0.1 -0.349 55.2 34.1 -64.4 146.9 62.3 44.8 45.6 20 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 -0.974 135.6 34.6 -80.2 -15.1 61.9 47.7 45.9 21 74 A R S < S+ 0 0 117 -3,-0.7 20,-0.2 1,-0.2 19,-0.2 -0.493 78.8 144.3 -96.0 68.6 58.2 46.8 46.5 22 75 A S + 0 0 19 -2,-1.3 -7,-2.7 19,-0.2 2,-0.9 0.446 33.5 98.9 -91.2 -0.2 59.0 43.5 48.2 23 76 A W E -BC 14 40A 79 17,-2.4 17,-2.3 -9,-0.2 2,-0.5 -0.794 57.9-163.3 -89.3 107.0 56.2 43.4 50.8 24 77 A L E -BC 13 39A 0 -11,-2.8 -11,-2.4 -2,-0.9 2,-0.5 -0.843 6.9-154.8 -91.4 123.3 53.5 41.2 49.5 25 78 A A E -BC 12 38A 0 13,-2.5 13,-1.8 -2,-0.5 2,-0.4 -0.880 17.9-168.6 -93.9 130.6 50.1 41.4 51.1 26 79 A V E -BC 11 37A 0 -15,-2.7 -15,-1.9 -2,-0.5 2,-0.4 -0.984 9.9-171.4-127.9 132.3 48.2 38.1 50.6 27 80 A T E -BC 10 36A 0 9,-2.7 9,-2.5 -2,-0.4 2,-0.5 -0.989 4.1-164.5-126.0 125.5 44.6 37.4 51.2 28 81 A V E -BC 9 35A 5 -19,-2.6 -19,-2.3 -2,-0.4 2,-0.8 -0.966 15.0-142.9-107.1 130.3 43.0 34.0 51.2 29 82 A D E >> -B 8 0A 7 5,-2.5 4,-3.0 -2,-0.5 3,-0.6 -0.880 9.7-159.6 -88.2 110.2 39.2 33.7 51.0 30 83 A T T 34 S+ 0 0 48 -23,-2.1 -1,-0.2 -2,-0.8 -22,-0.1 0.755 88.0 59.5 -67.3 -20.5 38.5 30.7 53.2 31 84 A A T 34 S+ 0 0 33 -24,-0.4 -1,-0.2 1,-0.1 -25,-0.1 0.873 127.0 11.7 -74.0 -36.1 35.2 30.2 51.5 32 85 A S T <4 S- 0 0 72 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.498 91.9-125.5-118.2 -6.5 36.6 29.7 48.0 33 86 A S < + 0 0 75 -4,-3.0 -3,-0.2 1,-0.2 2,-0.0 0.561 56.7 155.7 62.3 13.0 40.3 29.3 48.6 34 87 A A - 0 0 20 -5,-0.4 -5,-2.5 -6,-0.1 2,-0.4 -0.383 32.7-144.7 -66.4 146.7 40.9 32.1 46.2 35 88 A I E -C 28 0A 14 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.952 14.8-172.7-117.4 127.7 44.2 34.0 46.6 36 89 A V E -C 27 0A 2 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.4 -0.997 9.2-179.9-116.5 134.0 44.7 37.8 46.1 37 90 A V E +C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.974 8.0 173.0-136.2 137.8 48.2 39.4 46.2 38 91 A T E -C 25 0A 23 -13,-1.8 -13,-2.5 -2,-0.4 2,-0.3 -0.946 25.9-125.0-133.7 159.4 49.4 42.9 45.8 39 92 A Q E -C 24 0A 12 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.848 25.4-178.4-115.0 147.0 52.9 44.4 46.4 40 93 A H E -C 23 0A 24 -17,-2.3 -17,-2.4 -2,-0.3 3,-0.1 -0.966 33.5-135.2-139.4 155.8 54.0 47.3 48.5 41 94 A G S S+ 0 0 38 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.767 92.2 13.1 -81.3 -27.9 57.1 49.3 49.5 42 95 A R S S- 0 0 188 -19,-0.1 2,-1.1 -21,-0.1 -1,-0.2 -0.973 74.9-114.3-145.6 158.0 56.3 49.3 53.2 43 96 A V + 0 0 50 -2,-0.3 2,-0.3 -3,-0.1 29,-0.1 -0.796 60.2 142.8 -97.4 91.0 54.0 47.5 55.7 44 97 A T > - 0 0 61 -2,-1.1 4,-1.9 1,-0.1 5,-0.2 -0.781 66.3-102.9-119.8 173.3 51.8 50.4 56.8 45 98 A S H > S+ 0 0 25 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.937 123.9 51.4 -62.4 -39.6 48.1 50.8 57.7 46 99 A V H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 105.2 54.1 -68.8 -37.8 47.6 52.4 54.4 47 100 A A H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 109.5 48.9 -59.6 -45.8 49.3 49.5 52.5 48 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.921 111.6 49.8 -58.7 -43.6 46.9 47.1 54.2 49 102 A Q H X S+ 0 0 21 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.898 110.1 49.6 -63.2 -44.4 43.9 49.3 53.3 50 103 A H H X S+ 0 0 117 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.910 110.8 51.1 -60.6 -42.2 45.0 49.5 49.6 51 104 A H H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.956 111.4 46.5 -59.5 -50.7 45.4 45.7 49.5 52 105 A W H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.874 106.9 57.4 -65.6 -31.4 41.9 45.2 50.9 53 106 A A H X S+ 0 0 44 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.927 111.4 44.2 -62.1 -41.5 40.3 47.7 48.5 54 107 A T H X S+ 0 0 63 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.924 112.6 50.8 -65.2 -47.1 41.8 45.6 45.7 55 108 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.902 108.7 53.1 -62.3 -36.2 40.7 42.3 47.2 56 109 A I H X S+ 0 0 17 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.893 106.9 51.0 -66.0 -40.0 37.1 43.7 47.7 57 110 A A H < S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.826 119.7 37.7 -64.7 -31.4 37.0 44.7 44.0 58 111 A V H < S+ 0 0 87 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.842 132.6 19.9 -89.1 -37.1 38.1 41.1 43.0 59 112 A L H < S- 0 0 36 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.439 102.5-116.5-110.3 -17.3 36.3 38.9 45.6 60 113 A G < - 0 0 32 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.1 -0.261 53.4 -41.7 101.0-179.9 33.4 41.0 46.9 61 114 A R - 0 0 123 -4,-0.1 2,-0.1 -2,-0.1 -55,-0.1 -0.693 60.4-146.5 -88.0 120.8 32.9 42.3 50.5 62 115 A P - 0 0 0 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.414 14.6-129.4 -78.5 166.7 33.7 39.7 53.2 63 116 A K S S- 0 0 127 -57,-2.5 25,-2.2 1,-0.3 2,-0.3 0.847 87.5 -1.7 -81.2 -34.5 31.9 39.4 56.5 64 117 A A E -ad 7 88A 12 -58,-1.4 -56,-2.2 23,-0.2 2,-0.4 -0.986 59.4-145.4-152.9 157.6 35.1 39.3 58.5 65 118 A I E -ad 8 89A 0 23,-2.2 25,-2.7 -2,-0.3 2,-0.5 -0.996 12.9-152.0-127.9 131.7 38.9 39.4 58.1 66 119 A K E +ad 9 90A 46 -58,-2.7 -56,-2.1 -2,-0.4 2,-0.3 -0.917 27.2 153.1-102.1 131.2 41.3 37.5 60.3 67 120 A T - 0 0 0 23,-1.7 25,-0.4 -2,-0.5 -56,-0.1 -0.838 43.3-103.2-138.5 174.8 44.8 38.9 60.8 68 121 A D - 0 0 63 -58,-0.4 -1,-0.1 -2,-0.3 -58,-0.0 -0.240 52.1 -87.7 -79.3-161.5 47.5 38.7 63.5 69 122 A N + 0 0 117 -2,-0.1 5,-0.1 4,-0.1 22,-0.0 0.019 69.8 149.8-106.0 32.4 48.1 41.7 65.8 70 123 A G >> - 0 0 26 1,-0.1 3,-2.1 3,-0.1 4,-1.2 -0.294 57.7-116.1 -58.7 144.7 50.6 43.5 63.5 71 124 A S H 3> S+ 0 0 94 1,-0.3 4,-1.1 2,-0.2 3,-0.1 0.806 114.1 61.1 -61.3 -34.5 50.3 47.2 64.0 72 125 A C H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 -23,-0.1 0.726 111.1 44.4 -61.7 -17.4 49.2 47.9 60.4 73 126 A F H <4 S+ 0 0 3 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.689 117.6 39.8-100.7 -20.4 46.2 45.7 61.4 74 127 A T H < S+ 0 0 40 -4,-1.2 -2,-0.2 -3,-0.1 -3,-0.1 0.378 85.1 120.6-112.9 5.1 45.3 47.1 64.8 75 128 A S S X S- 0 0 31 -4,-1.1 4,-2.6 -5,-0.2 5,-0.2 -0.206 74.4-115.9 -65.5 159.9 45.9 50.8 64.2 76 129 A K H > S+ 0 0 159 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 116.9 56.3 -61.1 -42.4 43.1 53.3 64.7 77 130 A S H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 111.3 40.3 -54.1 -51.0 43.3 54.1 61.0 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 112.3 55.9 -72.2 -37.0 42.7 50.5 59.9 79 132 A R H X S+ 0 0 148 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.935 112.3 43.9 -57.1 -43.6 40.1 49.9 62.6 80 133 A E H X S+ 0 0 97 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.892 109.7 54.3 -73.1 -37.3 38.2 52.9 61.1 81 134 A W H X S+ 0 0 14 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.946 111.6 45.9 -63.5 -41.7 38.6 51.9 57.5 82 135 A L H X>S+ 0 0 3 -4,-2.5 5,-2.3 1,-0.2 4,-0.9 0.908 112.1 51.5 -68.5 -36.4 37.1 48.4 58.3 83 136 A A H ><5S+ 0 0 66 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.912 105.2 56.1 -65.7 -41.9 34.3 50.1 60.2 84 137 A R H 3<5S+ 0 0 161 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.4 42.5 -57.7 -36.6 33.6 52.3 57.2 85 138 A W H 3<5S- 0 0 95 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.568 110.5-121.0 -85.3 -10.9 33.1 49.1 55.1 86 139 A G T <<5 + 0 0 54 -4,-0.9 2,-0.5 -3,-0.7 -3,-0.2 0.844 62.5 145.4 72.6 32.9 31.1 47.2 57.7 87 140 A I < - 0 0 8 -5,-2.3 -1,-0.3 -6,-0.1 -23,-0.2 -0.911 46.5-130.2-108.4 128.8 33.6 44.4 57.9 88 141 A A E -d 64 0A 56 -25,-2.2 -23,-2.2 -2,-0.5 2,-0.5 -0.446 17.6-148.6 -73.9 149.1 34.3 42.6 61.2 89 142 A H E +d 65 0A 59 -25,-0.2 2,-0.2 -2,-0.1 -23,-0.2 -0.974 26.5 158.5-124.9 128.4 37.9 42.2 62.2 90 143 A T E -d 66 0A 59 -25,-2.7 -23,-1.7 -2,-0.5 2,-0.2 -0.719 20.1-147.8-138.6-174.3 39.0 39.3 64.2 91 144 A T - 0 0 45 -25,-0.2 -23,-0.1 -2,-0.2 -25,-0.0 -0.632 39.7 -43.8-146.1-174.6 42.0 37.2 65.2 92 145 A G - 0 0 52 -25,-0.4 -1,-0.2 -2,-0.2 6,-0.0 -0.222 57.0-111.7 -57.0 157.9 43.3 33.8 66.0 93 146 A I - 0 0 116 1,-0.1 4,-0.4 2,-0.1 6,-0.2 -0.621 30.1-123.2 -94.5 145.3 41.5 31.5 68.5 94 147 A P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.024 74.1 88.0 -73.6-166.5 43.0 30.7 71.9 95 148 A G S S- 0 0 68 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.915 122.3 -56.7 78.0 42.6 43.8 27.3 73.4 96 149 A N S S+ 0 0 152 1,-0.2 2,-0.8 2,-0.0 -1,-0.2 0.697 82.6 168.6 61.6 25.0 47.3 26.9 72.0 97 150 A S - 0 0 55 -4,-0.4 2,-1.3 1,-0.1 -1,-0.2 -0.558 25.1-149.3 -72.1 106.6 46.0 27.4 68.4 98 151 A Q - 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