==== 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 ENDORIBONUCLEASE 29-NOV-95 1VSE . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT- . AUTHOR G.BUJACZ,M.JASKOLSKI,J.ALEXANDRATOS,A.WLODAWER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 67.1 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 . 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 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.0 22.6 28.5 52.3 2 55 A L + 0 0 190 3,-0.0 3,-0.1 0, 0.0 0, 0.0 0.329 360.0 121.2-114.1 2.2 24.9 26.0 54.2 3 56 A G S S- 0 0 53 1,-0.1 28,-0.0 0, 0.0 0, 0.0 0.178 71.7 -57.7 -56.9 169.8 28.0 27.1 52.3 4 57 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.070 51.0-113.5 -57.9 150.9 31.2 28.6 53.7 5 58 A L - 0 0 125 -3,-0.1 2,-1.6 25,-0.1 26,-0.1 -0.690 35.2-109.7 -80.9 142.5 31.3 31.7 55.8 6 59 A Q + 0 0 87 -2,-0.3 57,-2.1 24,-0.1 58,-1.6 -0.630 59.9 149.6 -83.8 86.6 33.1 34.6 54.1 7 60 A I E -a 64 0A 54 -2,-1.6 23,-2.0 56,-0.2 24,-0.3 -0.977 27.4-161.1-123.1 130.7 36.2 34.8 56.1 8 61 A W E -aB 65 29A 5 56,-2.3 58,-3.0 -2,-0.4 2,-0.4 -0.755 7.9-152.0-104.6 160.1 39.6 36.0 54.8 9 62 A Q E -aB 66 28A 19 19,-2.0 19,-2.3 -2,-0.3 2,-0.4 -0.993 21.0-170.8-122.8 133.4 43.1 35.4 56.3 10 63 A T E + B 0 27A 0 56,-2.2 58,-0.4 -2,-0.4 2,-0.3 -0.974 12.4 157.1-128.3 146.1 45.6 38.2 55.4 11 64 A D E - B 0 26A 22 15,-2.8 15,-2.9 -2,-0.4 2,-0.4 -0.973 31.4-127.6-155.8 165.9 49.3 38.4 55.9 12 65 A F E - B 0 25A 16 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.907 25.1-178.2-115.6 153.6 52.5 40.2 54.6 13 66 A T E - B 0 24A 27 11,-2.2 11,-2.8 -2,-0.4 2,-0.3 -0.990 25.7-115.9-151.2 142.2 55.6 38.4 53.6 14 67 A L E + B 0 23A 81 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.616 27.5 175.9 -90.1 131.4 59.0 39.6 52.3 15 68 A E > - 0 0 11 7,-2.1 3,-2.4 -2,-0.3 4,-0.1 -0.814 11.2-171.3-136.3 86.9 60.1 38.8 48.8 16 69 A P G > S+ 0 0 85 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.726 82.2 72.3 -54.8 -25.9 63.4 40.4 47.9 17 70 A R G 3 S+ 0 0 43 1,-0.3 110,-2.6 109,-0.2 108,-0.1 0.657 98.3 51.4 -65.5 -14.1 63.1 39.3 44.2 18 71 A M G X S+ 0 0 0 -3,-2.4 3,-1.0 4,-0.2 -1,-0.3 0.219 96.1 174.6-104.5 17.2 60.4 41.9 44.0 19 72 A A T < + 0 0 25 -3,-1.8 22,-0.1 1,-0.3 108,-0.0 -0.311 57.1 33.5 -67.6 146.1 62.5 44.8 45.5 20 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.986 134.1 35.4 -76.8 -12.1 62.1 47.6 45.9 21 74 A R S < S+ 0 0 131 -3,-1.0 20,-0.2 1,-0.2 19,-0.2 -0.570 78.6 145.3 -98.8 68.5 58.4 46.8 46.5 22 75 A S + 0 0 20 -2,-1.4 -7,-2.1 19,-0.2 2,-0.5 0.492 32.2 97.2 -85.3 -7.8 59.2 43.6 48.2 23 76 A W E -BC 14 40A 66 17,-2.2 17,-2.5 -3,-0.2 2,-0.5 -0.751 59.6-160.2 -84.5 122.7 56.5 43.4 50.8 24 77 A L E -BC 13 39A 0 -11,-2.8 -11,-2.2 -2,-0.5 2,-0.5 -0.931 5.9-154.0-105.3 129.5 53.7 41.2 49.4 25 78 A A E -BC 12 38A 0 13,-2.3 13,-1.9 -2,-0.5 2,-0.4 -0.896 20.1-171.4 -97.2 124.9 50.3 41.5 51.0 26 79 A V E -BC 11 37A 0 -15,-2.9 -15,-2.8 -2,-0.5 2,-0.4 -0.994 12.2-172.7-129.7 132.5 48.5 38.2 50.6 27 80 A T E -BC 10 36A 0 9,-2.4 9,-2.3 -2,-0.4 2,-0.5 -0.992 5.3-164.6-123.2 127.8 44.8 37.4 51.3 28 81 A V E -BC 9 35A 2 -19,-2.3 -19,-2.0 -2,-0.4 2,-0.9 -0.939 16.3-143.0-107.5 124.9 43.4 33.8 51.1 29 82 A D E > -B 8 0A 17 5,-2.9 4,-2.9 -2,-0.5 5,-0.4 -0.784 12.7-153.6 -86.8 113.6 39.6 33.8 51.0 30 83 A T T 4 S+ 0 0 42 -23,-2.0 -1,-0.2 -2,-0.9 -22,-0.1 0.762 86.6 58.6 -63.5 -20.0 39.0 30.7 53.1 31 84 A A T 4 S+ 0 0 43 -24,-0.3 -1,-0.2 1,-0.1 -25,-0.1 0.920 126.1 16.9 -74.7 -39.5 35.6 29.8 51.5 32 85 A S T 4 S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.541 92.1-127.3-105.3 -15.4 37.1 29.5 48.0 33 86 A S < + 0 0 58 -4,-2.9 -3,-0.1 1,-0.2 2,-0.1 0.626 56.2 153.3 73.4 9.3 40.8 29.2 48.5 34 87 A A - 0 0 22 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.4 -0.495 33.7-145.4 -71.0 142.5 41.2 32.1 46.0 35 88 A I E -C 28 0A 14 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.930 14.6-171.4-111.1 142.3 44.4 34.2 46.6 36 89 A V E +C 27 0A 2 -9,-2.3 -9,-2.4 -2,-0.4 2,-0.4 -1.000 10.8 179.7-126.8 129.0 44.8 37.9 46.1 37 90 A V E +C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.982 6.7 178.9-133.5 141.0 48.3 39.5 46.3 38 91 A T E -C 25 0A 22 -13,-1.9 -13,-2.3 -2,-0.4 2,-0.3 -0.935 25.4-123.7-133.7 156.7 49.5 43.1 45.9 39 92 A Q E -C 24 0A 16 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.848 27.8-177.7-103.4 146.1 53.1 44.5 46.2 40 93 A H E -C 23 0A 22 -17,-2.5 -17,-2.2 -2,-0.3 3,-0.1 -0.985 32.0-139.7-144.2 152.9 54.2 47.3 48.6 41 94 A G S S+ 0 0 39 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.871 90.3 18.5 -80.3 -31.2 57.4 49.3 49.5 42 95 A R S S- 0 0 189 -19,-0.1 2,-1.0 -21,-0.1 -1,-0.2 -0.967 75.7-116.4-141.9 157.8 56.8 49.3 53.2 43 96 A V + 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.800 61.2 137.1 -95.2 99.3 54.8 47.4 55.7 44 97 A T > - 0 0 61 -2,-1.0 4,-1.4 1,-0.1 28,-0.1 -0.860 69.3 -98.8-134.8 173.4 52.4 50.0 57.1 45 98 A S H > S+ 0 0 26 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.901 122.5 51.0 -60.9 -39.4 48.7 50.5 58.1 46 99 A V H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.798 103.7 56.6 -70.0 -35.7 48.0 52.2 54.7 47 100 A A H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 107.6 50.3 -63.9 -34.5 49.6 49.4 52.7 48 101 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.933 112.1 46.6 -66.9 -44.5 47.2 46.9 54.4 49 102 A Q H X S+ 0 0 21 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.883 111.4 51.1 -67.1 -37.2 44.1 49.1 53.6 50 103 A H H X S+ 0 0 114 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.930 112.0 48.2 -65.5 -38.9 45.3 49.5 49.9 51 104 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.961 112.1 47.4 -64.3 -54.1 45.7 45.8 49.7 52 105 A W H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.882 106.7 58.9 -60.3 -30.9 42.2 45.1 51.2 53 106 A A H X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.953 110.5 42.8 -60.4 -47.9 40.6 47.8 48.8 54 107 A T H X S+ 0 0 61 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.895 113.3 50.8 -65.5 -43.9 41.9 45.7 45.9 55 108 A A H X S+ 0 0 0 -4,-2.5 4,-3.8 1,-0.2 5,-0.3 0.894 108.9 52.8 -64.5 -36.6 40.9 42.3 47.4 56 109 A I H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.931 108.8 50.1 -61.9 -38.6 37.4 43.8 48.0 57 110 A A H < S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.844 118.5 38.5 -66.9 -34.6 37.2 44.8 44.4 58 111 A V H < S+ 0 0 83 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.887 132.8 19.5 -84.8 -44.6 38.2 41.3 43.2 59 112 A L H < S- 0 0 55 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.2 0.484 103.1-112.8-111.3 -5.6 36.4 39.1 45.7 60 113 A G < - 0 0 38 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.096 54.3 -48.4 97.7 175.1 33.6 41.2 47.2 61 114 A R - 0 0 151 -4,-0.1 2,-0.1 -2,-0.1 -55,-0.1 -0.637 59.0-140.2 -82.5 130.9 33.4 42.3 50.8 62 115 A P - 0 0 5 0, 0.0 -55,-0.2 0, 0.0 26,-0.1 -0.363 13.1-129.4 -84.7 172.5 34.0 39.7 53.5 63 116 A K S S- 0 0 130 -57,-2.1 25,-2.1 1,-0.3 2,-0.3 0.875 88.7 -2.3 -84.6 -37.8 32.2 39.2 56.8 64 117 A A E -ad 7 88A 17 -58,-1.6 -56,-2.3 23,-0.2 2,-0.4 -0.987 58.9-148.2-149.9 163.4 35.4 39.0 58.8 65 118 A I E -ad 8 89A 0 23,-1.9 25,-1.9 -2,-0.3 2,-0.5 -0.994 11.0-151.1-136.3 129.1 39.2 39.0 58.3 66 119 A K E +ad 9 90A 16 -58,-3.0 -56,-2.2 -2,-0.4 2,-0.3 -0.865 26.9 157.8-102.1 131.2 41.7 37.2 60.5 67 120 A T - 0 0 0 23,-2.0 -56,-0.1 -2,-0.5 2,-0.0 -0.887 40.4-107.0-136.4 171.5 45.2 38.6 60.8 68 121 A D - 0 0 52 -58,-0.4 -1,-0.1 -2,-0.3 24,-0.1 -0.141 50.7 -87.6 -85.3-164.7 48.0 38.3 63.4 69 122 A N + 0 0 99 22,-0.1 5,-0.1 4,-0.1 22,-0.1 0.155 69.7 148.3 -98.5 24.8 48.7 41.2 65.7 70 123 A G >> - 0 0 29 1,-0.1 3,-1.5 3,-0.1 4,-1.5 -0.172 57.7-120.4 -50.6 151.8 51.1 43.1 63.5 71 124 A S H 3> S+ 0 0 96 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.726 110.9 65.8 -72.3 -22.5 50.7 46.8 64.2 72 125 A C H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.663 109.6 39.8 -70.4 -19.2 49.7 47.5 60.6 73 126 A F H <4 S+ 0 0 2 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.620 120.3 40.7-102.0 -23.3 46.5 45.4 61.3 74 127 A T H < S+ 0 0 36 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.430 85.0 116.8-107.9 9.0 45.7 46.6 64.9 75 128 A S S X S- 0 0 32 -4,-1.0 4,-2.5 -5,-0.1 5,-0.1 -0.252 77.7-110.3 -70.7 170.2 46.4 50.3 64.6 76 129 A K H > S+ 0 0 194 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.917 117.9 54.0 -58.4 -52.5 43.6 52.9 65.1 77 130 A S H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 110.7 44.8 -52.8 -49.6 43.7 53.8 61.4 78 131 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.904 112.5 51.0 -72.4 -38.2 43.3 50.2 60.2 79 132 A R H X S+ 0 0 127 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.874 111.4 48.2 -66.3 -35.0 40.5 49.4 62.8 80 133 A E H X S+ 0 0 119 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.826 109.0 54.1 -68.6 -33.4 38.6 52.5 61.7 81 134 A W H X S+ 0 0 18 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.919 111.6 44.1 -64.6 -45.2 39.1 51.6 58.0 82 135 A L H X>S+ 0 0 3 -4,-1.7 5,-2.5 1,-0.2 4,-0.8 0.863 111.7 54.3 -69.1 -38.3 37.5 48.1 58.6 83 136 A A H <5S+ 0 0 65 -4,-2.0 3,-0.4 3,-0.2 -2,-0.2 0.857 104.5 54.3 -68.3 -29.7 34.7 49.7 60.7 84 137 A R H <5S+ 0 0 165 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.1 43.1 -69.7 -33.4 33.9 52.1 57.7 85 138 A W H <5S- 0 0 83 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.610 112.2-122.5 -84.5 -13.6 33.5 49.0 55.5 86 139 A G T <5 + 0 0 58 -4,-0.8 2,-0.5 -3,-0.4 -3,-0.2 0.862 59.4 148.9 71.8 37.4 31.5 47.1 58.2 87 140 A I < - 0 0 9 -5,-2.5 -1,-0.3 -6,-0.1 -23,-0.2 -0.902 43.7-133.6-107.1 125.5 34.0 44.2 58.2 88 141 A A E -d 64 0A 59 -25,-2.1 -23,-1.9 -2,-0.5 2,-0.4 -0.415 23.6-157.3 -72.0 150.1 34.5 42.3 61.5 89 142 A H E +d 65 0A 47 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.2 -0.992 15.7 173.4-138.7 133.4 38.1 41.7 62.5 90 143 A T E -d 66 0A 63 -25,-1.9 -23,-2.0 -2,-0.4 3,-0.1 -0.938 27.9-163.8-135.1 152.6 39.8 39.2 64.7 91 144 A T - 0 0 33 1,-0.4 5,-0.2 -2,-0.3 8,-0.1 0.132 49.6-134.9-114.5 17.5 43.4 38.2 65.5 92 145 A G - 0 0 33 -24,-0.1 -1,-0.4 2,-0.1 -3,-0.0 -0.322 53.8 -14.5 65.4-145.3 42.0 34.9 67.0 93 146 A I S > S- 0 0 107 -3,-0.1 3,-1.5 1,-0.1 2,-1.1 -0.578 71.3-108.6 -89.0 152.2 43.3 33.7 70.4 94 147 A P T 3 S+ 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.689 116.4 13.9 -83.7 98.5 46.5 35.1 72.0 95 148 A G T 3 S+ 0 0 75 -2,-1.1 -3,-0.1 0, 0.0 -2,-0.0 0.483 84.7 150.1 105.1 15.8 48.9 32.1 71.7 96 149 A N < - 0 0 45 -3,-1.5 -4,-0.0 -5,-0.2 -3,-0.0 0.670 55.7-134.5 -49.9 -17.9 46.4 30.8 69.2 97 150 A S - 0 0 118 -4,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.874 67.8 -44.4 52.4 42.4 49.5 29.3 67.6 98 151 A Q - 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