==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-98 1A5V . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT-RUP . 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) . 8133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 68.5 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 . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 37.7 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 1 1 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 0 125 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.7 21.4 27.4 50.6 2 55 A L + 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.891 360.0 124.7-106.5 127.3 24.2 26.0 52.8 3 56 A G - 0 0 67 -2,-0.5 2,-0.1 0, 0.0 28,-0.0 -0.884 58.3 -58.7-159.9-172.0 27.8 27.0 52.2 4 57 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 27,-0.1 -0.477 52.4-106.3 -86.2 153.0 30.9 28.6 53.8 5 58 A L - 0 0 125 -2,-0.1 2,-1.4 1,-0.1 26,-0.1 -0.529 34.3-110.0 -71.8 146.2 30.9 32.0 55.4 6 59 A Q + 0 0 40 -2,-0.2 57,-2.3 24,-0.1 58,-1.2 -0.690 61.0 149.9 -80.5 88.3 32.8 34.8 53.5 7 60 A I E -a 64 0A 47 -2,-1.4 23,-2.1 56,-0.2 24,-0.5 -0.990 28.1-158.1-124.2 131.1 35.8 35.2 55.9 8 61 A W E -aB 65 29A 0 56,-2.1 58,-2.9 -2,-0.4 2,-0.4 -0.811 8.3-150.1-105.0 158.7 39.2 36.2 54.6 9 62 A Q E -aB 66 28A 15 19,-2.5 19,-2.8 -2,-0.3 2,-0.4 -0.999 20.0-172.7-123.3 135.1 42.7 35.7 56.1 10 63 A T E + B 0 27A 0 56,-2.0 58,-0.4 -2,-0.4 2,-0.3 -0.947 11.4 156.4-128.9 141.2 45.2 38.4 55.3 11 64 A D E - B 0 26A 15 15,-2.2 15,-2.8 -2,-0.4 2,-0.4 -0.942 32.7-122.6-151.6 166.6 49.0 38.6 56.0 12 65 A F E - B 0 25A 19 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.952 24.7-177.0-112.1 143.5 52.2 40.3 54.7 13 66 A T E - B 0 24A 21 11,-2.0 11,-2.9 -2,-0.4 2,-0.4 -0.990 24.2-122.7-139.1 146.0 55.3 38.3 53.6 14 67 A L E + B 0 23A 79 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.743 26.4 176.3 -94.3 130.3 58.7 39.7 52.5 15 68 A E > - 0 0 18 7,-2.8 3,-2.2 -2,-0.4 -2,-0.0 -0.822 12.3-169.0-135.8 96.3 59.9 38.7 49.0 16 69 A P G > S+ 0 0 86 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.748 82.5 72.6 -61.2 -22.7 63.3 40.3 48.1 17 70 A R G 3 S+ 0 0 51 1,-0.3 110,-2.7 109,-0.2 108,-0.1 0.706 97.8 51.1 -61.3 -17.4 63.0 39.1 44.5 18 71 A M G X S+ 0 0 0 -3,-2.2 3,-0.7 108,-0.2 -1,-0.3 0.179 95.4 173.1-105.9 13.2 60.2 41.8 44.1 19 72 A A T < + 0 0 25 -3,-1.8 108,-0.1 1,-0.3 22,-0.1 -0.364 54.6 36.2 -62.2 148.1 62.2 44.7 45.5 20 73 A P T 3 S+ 0 0 87 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 -0.967 135.6 33.8 -75.5 -18.0 61.9 47.7 45.8 21 74 A R S < S+ 0 0 124 -3,-0.7 20,-0.2 1,-0.2 19,-0.2 -0.499 78.7 146.2 -96.0 72.5 58.2 46.8 46.4 22 75 A S + 0 0 19 -2,-1.3 -7,-2.8 19,-0.2 2,-0.7 0.470 34.8 98.7 -92.9 2.1 59.1 43.5 48.2 23 76 A W E -BC 14 40A 79 17,-2.4 17,-2.6 -9,-0.2 2,-0.6 -0.780 57.6-163.5 -92.1 112.2 56.2 43.4 50.7 24 77 A L E -BC 13 39A 0 -11,-2.9 -11,-2.0 -2,-0.7 2,-0.5 -0.901 7.4-153.1 -99.1 122.8 53.5 41.2 49.4 25 78 A A E -BC 12 38A 0 13,-2.4 13,-1.7 -2,-0.6 2,-0.4 -0.839 17.9-168.4 -90.6 129.3 50.0 41.4 50.9 26 79 A V E -BC 11 37A 0 -15,-2.8 -15,-2.2 -2,-0.5 2,-0.4 -0.975 9.9-173.5-126.3 130.7 48.2 38.1 50.5 27 80 A T E -BC 10 36A 0 9,-2.3 9,-2.3 -2,-0.4 2,-0.5 -0.993 5.6-163.4-123.2 128.2 44.5 37.4 51.2 28 81 A V E -BC 9 35A 4 -19,-2.8 -19,-2.5 -2,-0.4 2,-0.9 -0.967 14.6-143.3-108.1 126.5 43.0 34.0 51.1 29 82 A D E >> -B 8 0A 8 5,-2.5 4,-2.7 -2,-0.5 3,-0.6 -0.836 10.6-158.5 -82.8 110.0 39.2 33.7 50.8 30 83 A T T 34 S+ 0 0 45 -23,-2.1 -1,-0.2 -2,-0.9 -22,-0.1 0.809 87.4 59.4 -66.2 -21.9 38.5 30.7 53.1 31 84 A A T 34 S+ 0 0 33 -24,-0.5 -1,-0.2 1,-0.2 -25,-0.1 0.882 125.9 12.4 -72.8 -38.7 35.1 30.1 51.3 32 85 A S T <4 S- 0 0 76 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.497 92.9-124.2-114.3 -7.8 36.6 29.6 47.8 33 86 A S < + 0 0 75 -4,-2.7 -3,-0.1 1,-0.2 2,-0.1 0.537 57.2 156.8 65.5 10.7 40.3 29.2 48.5 34 87 A A - 0 0 20 -5,-0.4 -5,-2.5 -6,-0.1 2,-0.4 -0.376 31.3-145.8 -63.7 148.1 40.8 32.1 46.1 35 88 A I E -C 28 0A 15 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.925 14.7-173.7-121.5 128.9 44.1 34.1 46.5 36 89 A V E -C 27 0A 2 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.4 -0.997 9.1-179.4-118.0 131.4 44.6 37.8 45.9 37 90 A V E +C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.974 7.2 174.4-133.8 137.7 48.1 39.4 46.1 38 91 A T E -C 25 0A 22 -13,-1.7 -13,-2.4 -2,-0.4 2,-0.3 -0.939 25.2-125.4-131.5 160.5 49.4 43.0 45.7 39 92 A Q E +C 24 0A 14 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.855 25.5 179.7-117.7 146.2 52.9 44.4 46.2 40 93 A H E -C 23 0A 24 -17,-2.6 -17,-2.4 -2,-0.3 3,-0.1 -0.979 33.5-135.4-140.9 153.2 53.9 47.3 48.4 41 94 A G S S+ 0 0 36 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.809 91.6 18.9 -80.3 -27.0 57.1 49.2 49.3 42 95 A R S S- 0 0 191 -19,-0.1 2,-1.2 -21,-0.1 -1,-0.1 -0.962 75.6-115.9-142.9 156.3 56.3 49.3 53.1 43 96 A V + 0 0 47 -2,-0.3 2,-0.2 4,-0.1 29,-0.2 -0.620 60.6 143.3 -94.1 81.1 54.0 47.4 55.6 44 97 A T > - 0 0 62 -2,-1.2 4,-2.2 1,-0.1 3,-0.2 -0.699 66.6-106.9-116.2 165.9 51.8 50.3 56.7 45 98 A S H > S+ 0 0 24 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.921 123.1 52.6 -55.6 -41.3 48.1 50.7 57.6 46 99 A V H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.840 106.0 52.3 -66.3 -35.5 47.6 52.4 54.2 47 100 A A H > S+ 0 0 7 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.911 109.5 49.7 -64.5 -45.4 49.2 49.5 52.4 48 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.933 112.0 48.8 -55.9 -45.4 46.8 47.0 54.1 49 102 A Q H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.874 109.9 49.8 -64.4 -43.8 43.9 49.2 53.1 50 103 A H H X S+ 0 0 111 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.896 111.2 51.5 -62.6 -39.1 44.9 49.6 49.4 51 104 A H H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.951 111.8 44.9 -60.2 -54.9 45.3 45.8 49.3 52 105 A W H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.857 107.6 58.9 -59.9 -36.5 41.8 45.1 50.7 53 106 A A H X S+ 0 0 45 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.928 111.3 42.6 -58.8 -38.9 40.4 47.8 48.4 54 107 A T H X S+ 0 0 64 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.922 112.9 51.9 -71.1 -45.6 41.7 45.7 45.5 55 108 A A H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.5 0.888 107.5 53.2 -60.1 -39.8 40.6 42.4 47.1 56 109 A I H X S+ 0 0 17 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.907 107.4 51.2 -64.1 -38.0 37.1 43.7 47.5 57 110 A A H < S+ 0 0 89 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.845 119.5 37.1 -65.6 -32.8 36.9 44.7 43.8 58 111 A V H < S+ 0 0 87 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.894 133.6 19.6 -87.8 -41.0 38.0 41.1 42.9 59 112 A L H < S- 0 0 41 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.589 102.7-120.2-107.2 -17.9 36.3 39.0 45.5 60 113 A G < - 0 0 31 -4,-2.1 -1,-0.3 -5,-0.5 -2,-0.1 -0.292 52.7 -38.3 96.2 179.1 33.4 41.2 46.8 61 114 A R - 0 0 121 -2,-0.1 2,-0.1 -4,-0.1 -55,-0.1 -0.621 60.1-148.9 -83.4 120.0 32.8 42.4 50.3 62 115 A P - 0 0 0 0, 0.0 -55,-0.2 0, 0.0 26,-0.1 -0.403 16.2-129.9 -79.4 166.7 33.6 39.7 53.1 63 116 A K S S+ 0 0 123 -57,-2.3 25,-2.3 1,-0.3 2,-0.3 0.849 87.4 0.4 -78.4 -38.9 31.8 39.5 56.4 64 117 A A E -ad 7 88A 14 -58,-1.2 -56,-2.1 23,-0.2 2,-0.4 -0.990 58.7-145.9-151.3 152.9 35.0 39.4 58.4 65 118 A I E -ad 8 89A 0 23,-2.2 25,-3.0 -2,-0.3 2,-0.5 -0.995 13.6-152.2-123.6 127.2 38.8 39.5 58.0 66 119 A K E +ad 9 90A 45 -58,-2.9 -56,-2.0 -2,-0.4 2,-0.3 -0.897 26.4 158.5 -96.7 126.1 41.2 37.5 60.2 67 120 A T - 0 0 1 23,-2.0 25,-0.4 -2,-0.5 -56,-0.1 -0.846 39.8-108.2-131.2 173.9 44.7 38.9 60.7 68 121 A D - 0 0 52 -58,-0.4 -1,-0.1 -2,-0.3 -58,-0.0 -0.262 52.3 -86.4 -82.2-167.4 47.5 38.6 63.2 69 122 A N S S+ 0 0 119 -2,-0.1 5,-0.1 4,-0.1 22,-0.0 0.102 70.3 147.6 -98.8 24.4 48.3 41.5 65.5 70 123 A G >> - 0 0 28 1,-0.1 3,-1.5 3,-0.1 4,-1.2 -0.240 57.4-118.8 -50.1 145.0 50.7 43.4 63.2 71 124 A S H 3> S+ 0 0 89 1,-0.3 4,-1.2 2,-0.2 3,-0.1 0.814 111.9 62.6 -65.3 -34.1 50.4 47.1 63.7 72 125 A C H 34 S+ 0 0 4 1,-0.2 -1,-0.3 -29,-0.2 -23,-0.1 0.725 111.7 42.3 -58.6 -22.2 49.2 47.9 60.2 73 126 A F H <4 S+ 0 0 3 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.658 117.8 42.1 -96.0 -24.8 46.2 45.7 61.1 74 127 A T H < S+ 0 0 61 -4,-1.2 -2,-0.2 -3,-0.1 -3,-0.1 0.384 86.4 116.1-106.7 0.8 45.5 47.0 64.6 75 128 A S S X S- 0 0 31 -4,-1.2 4,-2.4 -5,-0.2 5,-0.2 -0.231 75.6-115.6 -64.2 163.4 46.0 50.7 64.1 76 129 A K H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 115.7 57.2 -64.8 -44.6 43.1 53.3 64.5 77 130 A S H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 111.3 41.2 -51.2 -48.2 43.3 54.1 60.8 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 111.7 55.2 -74.7 -34.6 42.7 50.5 59.8 79 132 A R H X S+ 0 0 139 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.926 112.4 44.7 -61.1 -44.0 40.0 50.0 62.5 80 133 A E H X S+ 0 0 86 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.900 109.9 53.7 -69.9 -37.2 38.2 53.0 61.0 81 134 A W H X S+ 0 0 28 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.940 110.8 47.1 -62.3 -43.9 38.7 51.9 57.4 82 135 A L H X>S+ 0 0 3 -4,-2.6 5,-2.5 1,-0.2 4,-0.9 0.900 111.7 50.9 -66.0 -36.0 37.1 48.4 58.1 83 136 A A H <5S+ 0 0 66 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.2 0.877 103.6 58.1 -69.4 -38.9 34.2 50.1 60.0 84 137 A R H <5S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.7 41.1 -54.4 -37.9 33.6 52.4 57.1 85 138 A W H <5S- 0 0 102 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.609 112.0-120.3 -86.1 -14.5 33.1 49.2 55.0 86 139 A G T <5 + 0 0 52 -4,-0.9 2,-0.5 -3,-0.4 -3,-0.2 0.813 61.5 148.0 77.4 30.2 31.1 47.3 57.7 87 140 A I < - 0 0 9 -5,-2.5 -1,-0.3 -6,-0.1 -23,-0.2 -0.873 45.2-132.5-104.7 124.6 33.7 44.5 57.8 88 141 A A E -d 64 0A 56 -25,-2.3 -23,-2.2 -2,-0.5 2,-0.5 -0.489 18.2-149.2 -70.7 144.9 34.3 42.7 61.1 89 142 A H E +d 65 0A 66 -25,-0.2 2,-0.2 -2,-0.2 -23,-0.2 -0.975 24.7 164.9-121.6 130.3 37.9 42.3 62.0 90 143 A T E -d 66 0A 62 -25,-3.0 -23,-2.0 -2,-0.5 2,-0.2 -0.689 18.7-147.9-138.7 176.6 39.0 39.3 64.0 91 144 A T - 0 0 62 -25,-0.2 -23,-0.1 -2,-0.2 8,-0.0 -0.693 39.1 -48.9-138.5-174.5 42.0 37.3 65.0 92 145 A G - 0 0 24 -25,-0.4 -1,-0.1 -2,-0.2 7,-0.1 -0.259 51.4-117.1 -62.8 151.4 43.3 33.9 65.9 93 146 A I - 0 0 111 5,-0.3 4,-0.1 6,-0.3 -1,-0.1 -0.581 25.4-129.1 -83.7 143.3 41.5 31.5 68.3 94 147 A P + 0 0 112 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.148 68.5 100.3 -66.6-159.2 43.3 30.4 71.5 95 148 A G S S- 0 0 62 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.950 119.9 -54.9 77.5 47.8 43.6 26.8 72.6 96 149 A N S S+ 0 0 174 1,-0.2 -1,-0.2 0, 0.0 2,-0.1 0.563 102.3 145.6 61.4 13.4 47.2 26.3 71.4 97 150 A S - 0 0 59 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 -0.420 41.8-134.1 -82.4 150.3 46.1 27.4 68.0 98 151 A Q - 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