==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-98 1VSK . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS - SCHMIDT-RUPPIN B; . 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) . 7805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 72.6 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 0 0 0 1 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 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.2 22.0 27.7 54.0 2 55 A L + 0 0 182 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.373 360.0 90.0-144.1 -33.1 24.6 25.7 52.0 3 56 A G S S- 0 0 63 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.366 73.3 -95.3 -88.7 159.1 27.1 28.2 50.6 4 57 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.015 30.4 -97.4 -80.5 176.5 30.4 29.5 52.3 5 58 A L - 0 0 124 1,-0.1 2,-1.3 25,-0.0 26,-0.2 -0.554 24.6-129.6 -97.2 139.2 31.7 32.4 54.4 6 59 A Q + 0 0 91 -2,-0.3 57,-1.6 24,-0.1 58,-1.6 -0.624 51.2 142.2 -90.4 82.3 33.5 35.5 53.0 7 60 A I E -a 64 0A 45 -2,-1.3 23,-2.2 56,-0.2 24,-0.4 -0.977 28.6-164.6-130.3 128.6 36.6 35.7 55.2 8 61 A W E -aB 65 29A 6 56,-2.4 58,-3.1 -2,-0.4 2,-0.4 -0.823 9.8-151.5-110.0 155.8 40.0 36.8 54.1 9 62 A Q E -aB 66 28A 11 19,-2.6 19,-3.0 -2,-0.3 2,-0.4 -0.998 21.6-173.5-121.5 140.0 43.4 36.5 55.7 10 63 A T E + B 0 27A 1 56,-2.0 58,-0.3 -2,-0.4 2,-0.3 -0.965 12.5 151.4-135.7 144.4 46.1 39.1 54.8 11 64 A N E - B 0 26A 17 15,-2.0 15,-2.8 -2,-0.4 2,-0.4 -0.923 36.6-115.2-158.7 166.4 49.7 39.7 55.5 12 65 A F E - B 0 25A 29 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.954 28.9-176.7-102.6 141.6 52.9 41.3 54.1 13 66 A T E - B 0 24A 16 11,-2.5 11,-2.6 -2,-0.4 2,-0.4 -0.986 24.8-117.8-136.0 146.9 55.9 39.2 53.0 14 67 A L E + B 0 23A 77 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.715 29.1 173.8 -91.7 135.3 59.3 40.4 51.8 15 68 A E > - 0 0 18 7,-3.6 3,-2.1 -2,-0.4 -2,-0.0 -0.772 13.2-171.4-142.0 94.6 60.5 39.5 48.3 16 69 A P G > S+ 0 0 86 0, 0.0 3,-1.4 0, 0.0 111,-0.1 0.633 82.2 72.7 -61.3 -16.8 63.8 41.1 47.2 17 70 A R G 3 S+ 0 0 40 1,-0.3 110,-2.7 109,-0.2 108,-0.1 0.753 99.8 50.5 -67.5 -19.7 63.4 39.8 43.5 18 71 A M G X S+ 0 0 0 -3,-2.1 3,-0.7 108,-0.2 -1,-0.3 0.187 97.9 174.2-100.0 11.6 60.7 42.5 43.3 19 72 A A T < + 0 0 26 -3,-1.4 108,-0.1 1,-0.3 22,-0.1 -0.334 55.2 32.8 -64.9 146.3 62.9 45.4 44.7 20 73 A P T 3 S+ 0 0 88 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.960 135.4 36.7 -76.1 -17.7 62.6 48.4 45.1 21 74 A R S < S+ 0 0 109 -3,-0.7 19,-0.2 1,-0.2 20,-0.2 -0.460 77.3 145.3 -97.6 75.0 59.0 47.5 45.7 22 75 A S + 0 0 17 -2,-1.4 -7,-3.6 19,-0.2 2,-0.8 0.305 33.7 98.6 -99.1 -1.0 59.7 44.2 47.5 23 76 A W E -BC 14 40A 78 17,-2.2 17,-2.6 -9,-0.2 2,-0.4 -0.865 56.7-163.5 -89.0 111.9 56.9 44.1 50.1 24 77 A L E -BC 13 39A 0 -11,-2.6 -11,-2.5 -2,-0.8 2,-0.5 -0.797 9.0-151.0 -94.2 131.4 54.1 42.0 48.7 25 78 A A E -BC 12 38A 0 13,-2.2 13,-1.8 -2,-0.4 2,-0.4 -0.909 21.1-168.0 -99.3 125.7 50.7 42.3 50.4 26 79 A V E -BC 11 37A 0 -15,-2.8 -15,-2.0 -2,-0.5 2,-0.5 -0.986 10.7-170.4-122.6 130.9 49.0 38.8 50.0 27 80 A T E -BC 10 36A 0 9,-2.7 9,-2.2 -2,-0.4 2,-0.5 -0.976 3.0-165.7-122.6 125.6 45.3 38.1 50.7 28 81 A V E -BC 9 35A 2 -19,-3.0 -19,-2.6 -2,-0.5 2,-0.8 -0.962 17.0-141.4-105.0 131.1 43.9 34.5 50.8 29 82 A D E > -B 8 0A 20 5,-2.5 4,-2.5 -2,-0.5 -21,-0.2 -0.827 14.0-148.5 -84.8 114.1 40.2 34.1 50.6 30 83 A T T 4 S+ 0 0 48 -23,-2.2 -1,-0.1 -2,-0.8 -22,-0.1 0.701 89.9 45.6 -64.3 -15.7 39.8 31.3 53.1 31 84 A A T 4 S+ 0 0 47 -24,-0.4 -1,-0.2 -26,-0.2 -25,-0.1 0.945 125.3 24.2 -86.5 -62.8 36.7 29.9 51.2 32 85 A S T 4 S- 0 0 73 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.674 94.1-134.3 -74.9 -23.9 37.7 30.0 47.5 33 86 A S < + 0 0 71 -4,-2.5 -3,-0.1 1,-0.2 2,-0.1 0.562 51.3 155.3 73.2 12.7 41.4 29.8 48.4 34 87 A A - 0 0 18 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.4 -0.362 31.6-144.2 -71.8 142.1 41.9 32.6 45.7 35 88 A I E -C 28 0A 12 105,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.925 15.2-171.8-110.4 146.3 45.0 34.8 46.2 36 89 A V E +C 27 0A 2 -9,-2.2 -9,-2.7 -2,-0.4 2,-0.3 -0.998 11.2 179.8-131.7 134.7 45.4 38.5 45.5 37 90 A V E -C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.986 6.1-178.6-137.7 141.9 48.8 40.1 45.7 38 91 A T E -C 25 0A 20 -13,-1.8 -13,-2.2 -2,-0.3 2,-0.4 -0.933 27.2-114.8-135.5 159.4 50.1 43.7 45.2 39 92 A Q E -C 24 0A 23 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.842 31.8-180.0 -99.5 134.7 53.6 45.3 45.3 40 93 A H E -C 23 0A 23 -17,-2.6 -17,-2.2 -2,-0.4 3,-0.1 -0.960 29.8-149.0-137.2 146.1 54.5 47.9 47.9 41 94 A G S S+ 0 0 45 -2,-0.3 2,-0.3 1,-0.2 -19,-0.2 0.778 88.7 9.3 -83.7 -15.7 57.6 49.9 48.6 42 95 A R S S- 0 0 181 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.2 -0.980 79.0-109.4-158.8 153.6 56.9 50.1 52.3 43 96 A V + 0 0 55 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.798 57.7 146.0 -99.7 101.8 54.5 48.5 54.8 44 97 A T > - 0 0 36 -2,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.861 63.9-103.9-128.6 165.9 52.2 51.2 55.9 45 98 A S H > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.961 126.2 47.7 -53.0 -44.2 48.5 51.6 56.8 46 99 A V H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.826 105.1 57.2 -71.3 -33.4 47.9 53.1 53.4 47 100 A A H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 111.1 46.0 -60.6 -39.5 49.9 50.3 51.7 48 101 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.880 112.0 49.3 -67.6 -46.7 47.3 47.9 53.4 49 102 A Q H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.899 111.1 50.1 -60.0 -41.4 44.3 50.0 52.5 50 103 A H H X S+ 0 0 113 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.912 110.2 50.8 -63.9 -43.0 45.5 50.2 48.8 51 104 A H H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.941 111.9 46.1 -57.3 -52.7 46.0 46.4 48.7 52 105 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.849 106.0 58.6 -66.1 -28.8 42.4 45.8 50.1 53 106 A A H X S+ 0 0 45 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.887 112.4 42.9 -62.7 -42.0 40.9 48.3 47.7 54 107 A T H X S+ 0 0 61 -4,-1.6 4,-1.0 -3,-0.3 -2,-0.2 0.867 113.4 49.6 -62.9 -53.8 42.4 46.1 44.9 55 108 A A H >X>S+ 0 0 0 -4,-2.5 4,-3.7 2,-0.2 3,-0.8 0.929 109.6 52.8 -53.1 -50.3 41.4 42.8 46.5 56 109 A I H 3X5S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.923 108.4 50.1 -52.5 -45.8 37.8 44.1 46.9 57 110 A A H 3<5S+ 0 0 89 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.717 119.2 39.3 -63.3 -27.9 37.7 45.0 43.2 58 111 A V H <<5S+ 0 0 84 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.851 133.1 18.0 -88.6 -44.6 38.9 41.5 42.3 59 112 A L H <5S- 0 0 58 -4,-3.7 -3,-0.2 1,-0.3 -2,-0.2 0.586 105.5-110.9-107.3 -15.0 37.1 39.3 44.8 60 113 A G << - 0 0 35 -4,-2.3 -1,-0.3 -5,-0.5 -2,-0.2 -0.431 52.6 -48.4 100.3 171.5 34.2 41.4 46.1 61 114 A R - 0 0 125 -2,-0.1 2,-0.2 -4,-0.1 -55,-0.1 -0.742 60.4-145.3 -84.3 124.1 33.7 42.9 49.5 62 115 A P - 0 0 2 0, 0.0 -55,-0.2 0, 0.0 26,-0.2 -0.541 16.5-126.9 -84.1 167.7 34.3 40.3 52.3 63 116 A K S S+ 0 0 101 -57,-1.6 25,-2.8 1,-0.2 2,-0.3 0.908 88.9 0.2 -75.8 -36.2 32.4 40.0 55.7 64 117 A A E -ad 7 88A 17 -58,-1.6 -56,-2.4 23,-0.2 2,-0.4 -0.998 57.4-142.1-153.5 159.0 35.7 40.0 57.6 65 118 A I E -ad 8 89A 0 23,-2.7 25,-2.1 -2,-0.3 2,-0.6 -0.980 12.4-153.9-128.6 128.7 39.5 40.2 57.4 66 119 A K E +ad 9 90A 36 -58,-3.1 -56,-2.0 -2,-0.4 2,-0.2 -0.880 29.1 153.5-102.0 119.8 41.9 38.3 59.6 67 120 A T - 0 0 0 23,-2.1 2,-0.2 -2,-0.6 32,-0.1 -0.606 40.6-104.3-128.8-175.8 45.3 39.9 60.1 68 121 A D - 0 0 26 -58,-0.3 25,-0.3 -2,-0.2 5,-0.1 -0.477 47.5 -88.1 -97.8-172.0 48.0 39.8 62.7 69 122 A N S S+ 0 0 83 23,-1.3 5,-0.1 -2,-0.2 24,-0.1 0.267 72.1 143.9 -86.3 15.1 48.7 42.6 65.2 70 123 A G >> - 0 0 25 1,-0.1 3,-1.5 3,-0.1 4,-1.0 -0.169 60.3-120.6 -45.4 144.9 51.1 44.5 62.8 71 124 A S H 3> S+ 0 0 96 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.717 109.6 66.9 -68.8 -23.3 50.6 48.2 63.4 72 125 A C H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.727 107.9 41.2 -67.1 -17.7 49.6 48.8 59.8 73 126 A F H <4 S+ 0 0 5 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.654 119.1 41.6-103.5 -19.7 46.4 46.8 60.5 74 127 A T H < S+ 0 0 26 -4,-1.0 -2,-0.2 -5,-0.1 -3,-0.1 0.246 85.7 118.9-112.6 9.1 45.5 48.1 63.9 75 128 A S S X S- 0 0 30 -4,-0.6 4,-2.1 -5,-0.1 5,-0.2 -0.332 77.4-113.6 -71.4 165.4 46.2 51.8 63.3 76 129 A K H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 117.5 60.2 -66.6 -39.3 43.5 54.3 63.6 77 130 A S H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 109.6 39.3 -55.4 -43.0 43.8 54.9 59.9 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.855 109.6 57.8 -79.8 -40.7 43.0 51.3 59.1 79 132 A R H X S+ 0 0 120 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.934 112.8 43.7 -51.4 -46.7 40.3 50.7 61.6 80 133 A E H X S+ 0 0 96 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.879 110.3 52.9 -70.9 -37.8 38.5 53.7 60.0 81 134 A W H X S+ 0 0 22 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.948 114.1 44.7 -62.6 -40.8 39.1 52.6 56.4 82 135 A L H X>S+ 0 0 3 -4,-2.9 5,-2.5 2,-0.2 4,-0.8 0.841 113.0 49.2 -71.2 -39.2 37.6 49.2 57.3 83 136 A A H ><5S+ 0 0 64 -4,-2.0 3,-0.7 2,-0.2 -2,-0.2 0.919 104.8 59.3 -67.0 -36.9 34.6 50.7 59.2 84 137 A R H 3<5S+ 0 0 151 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.841 113.4 39.1 -57.1 -32.7 34.0 53.0 56.3 85 138 A W H 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.563 111.0-122.1 -90.7 -19.1 33.6 49.8 54.2 86 139 A G T <<5 + 0 0 57 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.874 58.6 149.3 76.2 37.9 31.7 47.8 56.9 87 140 A I < - 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