==== 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 ENDONUCLEASE 04-MAR-97 1VSH . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT-RUP . AUTHOR G.BUJACZ,J.ALEXANDRATOS,A.WLODAWER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 69.9 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 . 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 0 131 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.3 22.1 27.8 51.5 2 55 A L + 0 0 189 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.105 360.0 141.1 -93.4 41.4 24.3 26.2 54.1 3 56 A G - 0 0 54 1,-0.2 28,-0.0 -2,-0.1 0, 0.0 -0.323 56.4 -56.1 -79.7 161.4 27.4 27.0 52.0 4 57 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.231 54.8-103.2 -43.7 153.0 30.9 28.1 53.2 5 58 A L - 0 0 119 -3,-0.1 2,-1.5 1,-0.1 26,-0.0 -0.637 27.4-122.7 -81.4 137.7 31.6 31.2 55.3 6 59 A Q + 0 0 86 -2,-0.3 57,-2.3 24,-0.1 58,-1.5 -0.603 57.8 145.1 -85.9 71.7 33.1 34.2 53.6 7 60 A I E -a 64 0A 40 -2,-1.5 23,-2.5 56,-0.2 24,-0.5 -0.951 30.6-159.6-121.3 132.3 36.2 34.5 55.7 8 61 A W E -aB 65 29A 3 56,-2.4 58,-3.5 -2,-0.4 2,-0.4 -0.728 9.5-151.2-112.3 153.3 39.6 35.6 54.5 9 62 A Q E -aB 66 28A 10 19,-1.9 19,-2.2 -2,-0.3 2,-0.3 -0.996 21.9-170.9-117.1 131.7 43.1 35.1 55.9 10 63 A T E + B 0 27A 1 56,-2.0 58,-0.4 -2,-0.4 2,-0.3 -0.950 12.2 156.0-130.2 146.2 45.6 37.9 55.0 11 64 A D E - B 0 26A 11 15,-2.2 15,-2.6 -2,-0.3 2,-0.4 -0.953 33.4-124.4-157.1 164.9 49.4 38.3 55.5 12 65 A F E - B 0 25A 16 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.950 25.0-175.2-114.7 141.0 52.5 40.1 54.2 13 66 A T E - B 0 24A 20 11,-2.5 11,-3.0 -2,-0.4 2,-0.4 -0.995 23.6-121.8-137.2 139.5 55.5 38.1 52.9 14 67 A L E + B 0 23A 77 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.669 26.7 178.6 -87.8 134.6 58.9 39.6 51.8 15 68 A E > - 0 0 14 7,-3.0 3,-2.2 -2,-0.4 4,-0.1 -0.798 14.0-169.0-135.4 95.4 60.1 38.8 48.3 16 69 A P G > S+ 0 0 91 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.779 84.3 70.5 -55.1 -22.0 63.4 40.4 47.3 17 70 A R G 3 S+ 0 0 48 1,-0.3 110,-2.7 109,-0.2 108,-0.1 0.774 97.6 52.6 -68.3 -19.1 62.9 39.4 43.6 18 71 A M G X S+ 0 0 0 -3,-2.2 3,-1.0 4,-0.2 -1,-0.3 0.249 95.2 178.4-100.4 12.6 60.1 42.0 43.5 19 72 A A T < + 0 0 27 -3,-1.7 108,-0.1 1,-0.3 22,-0.1 -0.318 58.4 29.5 -63.7 144.2 62.3 44.9 44.8 20 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.957 134.0 36.5 -76.5 -16.2 61.8 47.7 45.3 21 74 A R S < S+ 0 0 123 -3,-1.0 20,-0.2 1,-0.2 19,-0.2 -0.546 79.0 146.9 -95.8 67.6 58.1 46.8 46.0 22 75 A S + 0 0 21 -2,-1.4 -7,-3.0 19,-0.2 2,-0.6 0.591 33.1 93.6 -84.1 -7.6 59.1 43.6 47.7 23 76 A W E -BC 14 40A 72 17,-2.0 17,-2.5 -9,-0.2 2,-0.5 -0.787 61.5-159.6 -88.0 119.9 56.4 43.3 50.3 24 77 A L E -BC 13 39A 0 -11,-3.0 -11,-2.5 -2,-0.6 2,-0.5 -0.898 4.9-152.3-101.4 128.9 53.7 41.1 48.9 25 78 A A E -BC 12 38A 1 13,-2.9 13,-1.9 -2,-0.5 2,-0.4 -0.896 20.0-170.5 -98.8 126.3 50.2 41.3 50.6 26 79 A V E -BC 11 37A 0 -15,-2.6 -15,-2.2 -2,-0.5 2,-0.4 -0.979 11.6-173.1-126.4 131.1 48.4 38.0 50.1 27 80 A T E -BC 10 36A 0 9,-2.5 9,-2.4 -2,-0.4 2,-0.5 -0.985 5.4-163.9-124.6 133.8 44.8 37.2 50.8 28 81 A V E -BC 9 35A 2 -19,-2.2 -19,-1.9 -2,-0.4 2,-0.8 -0.972 17.2-140.9-112.5 123.5 43.3 33.7 50.6 29 82 A D E >> -B 8 0A 20 5,-2.1 4,-2.1 -2,-0.5 3,-0.9 -0.825 13.5-155.7 -76.7 113.3 39.4 33.4 50.6 30 83 A T T 34 S+ 0 0 43 -23,-2.5 -1,-0.2 -2,-0.8 -22,-0.1 0.806 87.6 64.2 -67.4 -17.9 39.1 30.3 52.8 31 84 A A T 34 S+ 0 0 40 -24,-0.5 -1,-0.2 1,-0.2 -25,-0.1 0.758 125.4 6.8 -73.5 -27.5 35.7 29.6 51.1 32 85 A S T <4 S- 0 0 76 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.372 92.3-120.2-129.3 -11.5 37.1 29.0 47.6 33 86 A S < + 0 0 56 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.0 0.512 58.3 154.7 72.0 10.6 40.9 29.0 48.0 34 87 A A - 0 0 5 -5,-0.2 -5,-2.1 -6,-0.1 2,-0.4 -0.168 30.8-148.1 -63.6 149.5 41.1 31.9 45.6 35 88 A I E -C 28 0A 15 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.989 13.8-169.4-123.8 140.9 44.3 34.1 46.2 36 89 A V E -C 27 0A 3 -9,-2.4 -9,-2.5 -2,-0.4 2,-0.4 -0.997 10.0-176.3-126.4 131.7 44.8 37.7 45.6 37 90 A V E +C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.986 7.9 174.6-128.5 150.0 48.2 39.4 45.7 38 91 A T E -C 25 0A 23 -13,-1.9 -13,-2.9 -2,-0.4 2,-0.4 -0.925 24.2-127.8-142.0 155.3 49.5 43.0 45.5 39 92 A Q E -C 24 0A 12 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.888 23.9-177.7-109.8 149.3 52.9 44.5 45.9 40 93 A H E -C 23 0A 24 -17,-2.5 -17,-2.0 -2,-0.4 3,-0.1 -0.943 31.8-135.5-144.4 152.2 54.0 47.3 48.1 41 94 A G S S+ 0 0 47 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.807 91.8 12.4 -81.3 -23.0 57.2 49.3 48.9 42 95 A R S S- 0 0 165 -19,-0.1 2,-0.8 -21,-0.1 -1,-0.2 -0.967 75.9-115.1-152.3 155.5 56.7 49.3 52.7 43 96 A V + 0 0 15 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.904 56.6 141.2 -96.2 109.4 54.4 47.5 55.2 44 97 A T > - 0 0 58 -2,-0.8 4,-1.3 28,-0.1 5,-0.1 -0.822 67.7 -98.6-132.0 177.1 52.2 50.2 56.7 45 98 A S H > S+ 0 0 25 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.872 125.4 54.4 -64.7 -38.0 48.6 50.3 57.8 46 99 A V H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 101.0 57.6 -66.7 -36.6 47.8 52.0 54.5 47 100 A A H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 107.5 48.7 -61.8 -39.6 49.5 49.2 52.5 48 101 A A H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.895 112.1 48.8 -65.6 -40.6 47.1 46.6 54.1 49 102 A Q H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.875 111.0 49.6 -67.9 -38.7 44.1 48.9 53.3 50 103 A H H X S+ 0 0 118 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.911 111.8 50.0 -63.0 -46.2 45.2 49.3 49.7 51 104 A H H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.919 112.0 46.3 -57.5 -50.9 45.6 45.6 49.4 52 105 A W H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.898 105.6 59.3 -68.2 -28.9 42.1 44.9 50.8 53 106 A A H X S+ 0 0 45 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.919 110.8 43.4 -61.3 -42.2 40.4 47.5 48.6 54 107 A T H X S+ 0 0 65 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.902 112.7 50.4 -63.9 -46.3 41.7 45.6 45.6 55 108 A A H X S+ 0 0 0 -4,-2.3 4,-3.7 1,-0.2 5,-0.5 0.923 109.2 53.4 -59.4 -39.1 40.8 42.1 47.0 56 109 A I H X S+ 0 0 14 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.918 107.4 49.9 -63.9 -40.6 37.3 43.5 47.7 57 110 A A H < S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.862 120.0 39.3 -66.0 -29.4 37.0 44.6 44.1 58 111 A V H < S+ 0 0 75 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.891 131.1 20.6 -88.5 -41.1 38.1 41.1 43.1 59 112 A L H < S- 0 0 45 -4,-3.7 -3,-0.2 1,-0.3 -2,-0.2 0.522 103.8-117.6-108.9 -9.0 36.4 38.7 45.6 60 113 A G < - 0 0 36 -4,-1.9 -1,-0.3 -5,-0.5 -2,-0.1 -0.261 55.2 -42.8 91.7 179.2 33.5 40.9 46.8 61 114 A R - 0 0 157 -2,-0.1 2,-0.1 -4,-0.1 -55,-0.1 -0.600 59.0-144.8 -83.8 126.1 33.2 42.0 50.5 62 115 A P - 0 0 7 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.378 15.8-129.6 -84.6 171.5 33.9 39.3 53.1 63 116 A K S S- 0 0 134 -57,-2.3 25,-2.0 1,-0.3 2,-0.3 0.801 88.7 -2.6 -86.9 -30.2 32.2 39.0 56.4 64 117 A A E -ad 7 88A 17 -58,-1.5 -56,-2.4 23,-0.2 2,-0.4 -0.995 56.8-148.0-157.3 158.1 35.5 38.8 58.2 65 118 A I E -ad 8 89A 0 23,-2.9 25,-1.7 -2,-0.3 2,-0.5 -0.986 13.2-150.7-129.7 138.9 39.2 38.7 57.8 66 119 A K E +ad 9 90A 60 -58,-3.5 -56,-2.0 -2,-0.4 2,-0.3 -0.922 25.0 163.4-111.0 127.4 41.7 36.9 60.0 67 120 A T - 0 0 1 23,-2.1 -56,-0.1 -2,-0.5 2,-0.1 -0.807 38.2-106.5-131.2 171.1 45.2 38.2 60.4 68 121 A D - 0 0 51 -58,-0.4 -1,-0.1 -2,-0.3 24,-0.1 -0.197 51.3 -90.3 -84.7-172.4 48.2 37.8 62.8 69 122 A N + 0 0 102 22,-0.1 5,-0.1 -2,-0.1 22,-0.1 0.059 69.4 149.1 -92.3 24.0 48.9 40.7 65.2 70 123 A G >> - 0 0 17 1,-0.2 3,-1.8 3,-0.1 4,-0.6 -0.373 57.0-121.7 -51.8 138.4 51.3 42.5 62.9 71 124 A S H 3> S+ 0 0 92 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.732 107.9 67.6 -60.5 -22.7 50.8 46.2 63.9 72 125 A X H 34 S+ 0 0 41 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.725 106.8 43.3 -67.7 -17.4 49.8 47.2 60.3 73 126 A F H <4 S+ 0 0 1 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.602 116.8 44.2-100.7 -13.0 46.6 45.1 61.0 74 127 A T H < S+ 0 0 47 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.1 0.436 82.1 114.5-114.6 1.5 45.9 46.2 64.5 75 128 A S S X S- 0 0 33 -4,-1.3 4,-2.3 1,-0.1 5,-0.2 -0.075 77.8-111.3 -67.7 171.8 46.4 50.0 64.4 76 129 A K H > S+ 0 0 146 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.892 118.1 58.5 -64.8 -39.0 43.5 52.4 64.9 77 130 A S H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 109.5 42.8 -58.1 -46.6 43.7 53.4 61.3 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 111.8 53.6 -68.2 -44.6 43.1 49.8 60.1 79 132 A R H X S+ 0 0 105 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 111.6 47.1 -58.0 -41.3 40.4 49.2 62.7 80 133 A E H X S+ 0 0 109 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.885 109.0 52.7 -69.3 -36.0 38.6 52.2 61.4 81 134 A W H X S+ 0 0 21 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.933 112.2 45.8 -62.7 -44.3 39.0 51.3 57.7 82 135 A L H X>S+ 0 0 5 -4,-2.2 5,-2.4 2,-0.2 4,-1.0 0.889 111.6 52.4 -67.4 -38.0 37.5 47.8 58.4 83 136 A A H ><5S+ 0 0 61 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.930 104.6 55.1 -68.3 -42.2 34.7 49.4 60.5 84 137 A R H 3<5S+ 0 0 157 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.808 112.4 45.4 -57.2 -34.7 33.8 51.8 57.7 85 138 A W H 3<5S- 0 0 76 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.603 110.4-121.4 -84.8 -11.3 33.4 48.6 55.5 86 139 A G T <<5 + 0 0 64 -4,-1.0 2,-0.5 -3,-0.8 -3,-0.2 0.722 63.5 144.8 78.4 21.5 31.4 46.6 58.0 87 140 A I < - 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