==== 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 ENDONUCLEASE 04-MAR-97 1VSI . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT- . 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) . 7995.0 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 . 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 . 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 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.6 22.7 28.4 51.7 2 55 A L + 0 0 179 3,-0.0 3,-0.1 0, 0.0 0, 0.0 0.192 360.0 125.9 -99.6 12.2 24.6 26.1 53.9 3 56 A G - 0 0 53 1,-0.1 28,-0.0 0, 0.0 0, 0.0 -0.058 68.4 -64.9 -68.7 170.0 27.8 27.1 52.1 4 57 A P - 0 0 95 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.076 50.4-108.3 -59.7 149.1 31.0 28.4 53.6 5 58 A L - 0 0 122 -3,-0.1 2,-1.4 1,-0.1 -3,-0.0 -0.492 32.0-114.5 -72.2 146.4 31.3 31.7 55.4 6 59 A Q + 0 0 84 -2,-0.2 57,-2.9 24,-0.1 58,-1.5 -0.758 58.1 151.7 -90.5 84.4 33.2 34.4 53.5 7 60 A I E -a 64 0A 38 -2,-1.4 23,-2.4 56,-0.2 24,-0.4 -0.970 27.5-157.1-119.3 135.8 36.2 34.8 55.8 8 61 A W E -aB 65 29A 2 56,-2.7 58,-3.2 -2,-0.4 2,-0.4 -0.665 9.1-154.5-109.1 160.8 39.6 35.9 54.6 9 62 A Q E -aB 66 28A 12 19,-1.6 19,-2.4 -2,-0.2 2,-0.3 -0.972 22.2-175.6-128.6 127.0 43.1 35.4 56.0 10 63 A T E + B 0 27A 1 56,-1.8 58,-0.3 -2,-0.4 2,-0.3 -0.901 10.3 158.7-125.4 153.2 45.6 38.1 55.0 11 64 A D E - B 0 26A 21 15,-1.7 15,-3.3 -2,-0.3 2,-0.3 -0.935 33.1-122.5-161.5 166.0 49.3 38.4 55.6 12 65 A F E - B 0 25A 10 -2,-0.3 2,-0.3 13,-0.2 13,-0.3 -0.901 26.4-172.7-114.8 145.3 52.3 40.2 54.2 13 66 A T E - B 0 24A 24 11,-2.7 11,-2.9 -2,-0.3 2,-0.4 -0.985 22.3-120.0-143.4 140.6 55.5 38.3 53.0 14 67 A L E + B 0 23A 73 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.675 28.5 175.2 -91.0 137.5 58.8 39.6 51.9 15 68 A E > - 0 0 15 7,-2.9 3,-2.4 -2,-0.4 -2,-0.0 -0.781 15.1-168.8-142.1 99.7 60.1 38.8 48.5 16 69 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.719 84.7 68.8 -62.9 -19.8 63.4 40.4 47.4 17 70 A R G 3 S+ 0 0 41 1,-0.3 110,-2.9 109,-0.2 108,-0.1 0.709 99.2 53.9 -68.1 -19.3 62.9 39.3 43.7 18 71 A M G X S+ 0 0 0 -3,-2.4 3,-0.8 4,-0.2 -1,-0.3 0.233 96.2 174.5 -99.2 17.7 60.1 41.8 43.7 19 72 A A T < + 0 0 24 -3,-1.7 108,-0.1 1,-0.3 113,-0.1 -0.460 56.0 29.2 -70.7 146.4 62.3 44.8 45.0 20 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 -0.917 135.7 35.4 -74.8 -18.2 61.9 47.6 45.4 21 74 A R S < S+ 0 0 122 -3,-0.8 20,-0.2 1,-0.2 -2,-0.1 -0.586 79.5 144.7 -92.9 71.3 58.2 46.8 46.1 22 75 A S + 0 0 20 -2,-1.3 -7,-2.9 19,-0.2 2,-0.7 0.483 33.8 96.4 -87.2 -6.1 59.1 43.5 47.7 23 76 A W E -BC 14 40A 65 17,-2.0 17,-3.5 -9,-0.2 2,-0.5 -0.814 60.3-162.5 -89.9 112.6 56.4 43.3 50.4 24 77 A L E -BC 13 39A 0 -11,-2.9 -11,-2.7 -2,-0.7 2,-0.5 -0.911 6.8-152.2-101.4 128.0 53.7 41.1 49.0 25 78 A A E -BC 12 38A 0 13,-2.6 13,-1.9 -2,-0.5 2,-0.4 -0.879 19.2-167.2 -94.3 123.2 50.3 41.4 50.6 26 79 A V E -BC 11 37A 0 -15,-3.3 -15,-1.7 -2,-0.5 2,-0.4 -0.965 10.7-171.2-126.9 131.5 48.4 38.1 50.2 27 80 A T E -BC 10 36A 0 9,-2.6 9,-2.3 -2,-0.4 2,-0.4 -0.987 4.0-164.4-123.1 126.1 44.8 37.3 50.8 28 81 A V E -BC 9 35A 3 -19,-2.4 -19,-1.6 -2,-0.4 2,-0.9 -0.829 16.4-142.4-106.4 127.7 43.2 33.9 50.7 29 82 A D E > -B 8 0A 14 5,-2.6 4,-2.5 -2,-0.4 -21,-0.2 -0.856 11.3-158.2 -81.2 110.1 39.4 33.6 50.5 30 83 A T T 4 S+ 0 0 43 -23,-2.4 -1,-0.2 -2,-0.9 -22,-0.1 0.768 88.3 61.2 -69.6 -10.9 38.9 30.5 52.8 31 84 A A T 4 S+ 0 0 37 -24,-0.4 -1,-0.2 1,-0.1 -25,-0.1 0.939 125.7 9.6 -76.6 -46.2 35.6 30.0 51.1 32 85 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.440 90.8-122.8-110.9 -4.0 37.0 29.4 47.6 33 86 A S < + 0 0 66 -4,-2.5 -3,-0.1 1,-0.2 -2,-0.0 0.502 60.2 151.1 70.4 1.6 40.7 29.2 48.1 34 87 A A - 0 0 22 -6,-0.1 -5,-2.6 -5,-0.1 2,-0.4 -0.230 33.0-148.7 -61.8 155.9 41.1 32.1 45.6 35 88 A I E -C 28 0A 14 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.973 14.1-168.1-127.9 142.2 44.2 34.2 46.2 36 89 A V E -C 27 0A 3 -9,-2.3 -9,-2.6 -2,-0.4 2,-0.4 -0.993 11.3-175.3-128.0 130.8 44.8 38.0 45.7 37 90 A V E +C 26 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.983 6.5 176.5-130.5 143.8 48.3 39.4 45.9 38 91 A T E -C 25 0A 24 -13,-1.9 -13,-2.6 -2,-0.4 2,-0.4 -0.932 23.9-127.4-136.1 155.5 49.6 43.1 45.6 39 92 A Q E -C 24 0A 13 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.909 23.9-175.4-105.4 149.1 53.1 44.5 46.0 40 93 A H E -C 23 0A 25 -17,-3.5 -17,-2.0 -2,-0.4 3,-0.1 -0.892 29.8-140.6-139.1 156.3 54.1 47.3 48.3 41 94 A G S S+ 0 0 49 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.827 91.9 18.5 -85.2 -24.8 57.3 49.3 49.0 42 95 A R S S- 0 0 163 -19,-0.1 2,-1.0 -21,-0.1 -1,-0.2 -0.974 77.7-116.8-148.5 147.6 56.7 49.3 52.7 43 96 A V + 0 0 16 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.840 58.6 143.6 -82.8 105.8 54.6 47.4 55.2 44 97 A T > - 0 0 53 -2,-1.0 4,-1.3 1,-0.1 28,-0.1 -0.837 65.1-106.0-132.9 178.4 52.3 50.2 56.5 45 98 A S H > S+ 0 0 25 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.884 123.7 53.3 -67.5 -41.3 48.7 50.3 57.6 46 99 A V H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.906 102.3 57.6 -59.6 -42.1 47.9 52.1 54.4 47 100 A A H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 107.4 49.0 -53.1 -42.6 49.6 49.3 52.5 48 101 A A H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.928 110.7 49.8 -66.2 -42.0 47.1 46.9 54.2 49 102 A Q H X S+ 0 0 20 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.886 111.4 47.6 -68.4 -36.0 44.1 49.1 53.3 50 103 A H H X S+ 0 0 110 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.929 110.8 52.1 -67.9 -41.7 45.1 49.4 49.6 51 104 A H H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.918 112.9 45.1 -59.3 -51.9 45.6 45.7 49.4 52 105 A W H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.869 106.6 58.0 -62.5 -40.7 42.2 45.1 50.8 53 106 A A H X S+ 0 0 42 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.927 111.8 44.1 -49.0 -48.0 40.5 47.7 48.5 54 107 A T H X S+ 0 0 66 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.932 112.5 50.0 -67.3 -48.8 41.9 45.7 45.6 55 108 A A H X S+ 0 0 0 -4,-2.5 4,-4.3 1,-0.2 5,-0.3 0.867 109.0 52.9 -58.1 -35.7 40.9 42.3 47.0 56 109 A I H X S+ 0 0 15 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.929 106.6 52.2 -67.2 -36.8 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 0.850 119.4 37.1 -65.4 -33.0 37.0 44.7 44.1 58 111 A V H < S+ 0 0 87 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.878 131.5 25.0 -84.0 -42.9 38.1 41.2 43.0 59 112 A L H < S- 0 0 47 -4,-4.3 -3,-0.2 1,-0.2 -2,-0.2 0.578 102.4-117.5-106.5 -8.2 36.4 39.0 45.6 60 113 A G < - 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.208 55.0 -47.6 92.3 171.5 33.5 41.0 46.8 61 114 A R - 0 0 152 -2,-0.1 -55,-0.1 -4,-0.1 2,-0.1 -0.593 58.5-142.6 -82.9 127.1 33.2 42.1 50.5 62 115 A P - 0 0 5 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.418 13.7-130.5 -80.6 172.8 33.9 39.4 53.1 63 116 A K S S+ 0 0 143 -57,-2.9 25,-2.3 1,-0.3 2,-0.3 0.858 88.9 2.6 -91.2 -32.6 32.1 39.1 56.4 64 117 A A E -ad 7 88A 17 -58,-1.5 -56,-2.7 23,-0.2 2,-0.4 -0.993 58.6-151.0-150.2 159.1 35.4 38.8 58.2 65 118 A I E -ad 8 89A 0 23,-2.8 25,-2.2 -2,-0.3 2,-0.5 -0.970 10.4-153.8-129.6 134.6 39.1 38.9 57.8 66 119 A K E +ad 9 90A 66 -58,-3.2 -56,-1.8 -2,-0.4 2,-0.3 -0.904 24.5 157.4-107.9 129.8 41.7 37.1 60.0 67 120 A T - 0 0 1 23,-1.8 -56,-0.1 -2,-0.5 2,-0.0 -0.817 41.9-104.7-133.8 172.1 45.2 38.5 60.3 68 121 A D - 0 0 51 -58,-0.3 -1,-0.2 -2,-0.3 24,-0.1 -0.011 50.8 -88.0 -82.6-166.7 48.0 38.1 63.0 69 122 A N S S+ 0 0 103 22,-0.1 5,-0.2 4,-0.0 4,-0.1 0.256 70.2 150.0 -93.3 16.3 48.6 41.0 65.4 70 123 A G >> - 0 0 19 1,-0.2 3,-1.3 3,-0.1 4,-0.9 -0.101 57.1-119.5 -36.7 149.0 51.1 42.8 63.0 71 124 A S H 3> S+ 0 0 92 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.731 109.7 65.7 -75.2 -17.4 50.8 46.5 63.9 72 125 A X H 34 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 -24,-0.2 0.628 107.1 44.2 -72.4 -14.0 49.8 47.5 60.4 73 126 A F H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 -4,-0.1 -1,-0.2 0.566 118.1 38.4-102.6 -21.4 46.6 45.4 61.0 74 127 A T H < S+ 0 0 43 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.1 0.436 85.0 118.9-114.3 9.1 45.6 46.5 64.4 75 128 A S S X S- 0 0 31 -4,-1.0 4,-2.2 -5,-0.1 5,-0.2 -0.208 78.3-108.6 -62.9 163.7 46.5 50.1 64.2 76 129 A K H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.866 117.4 55.4 -55.0 -43.6 43.6 52.6 64.7 77 130 A S H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 109.3 46.0 -56.5 -53.7 43.6 53.6 61.0 78 131 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.895 111.2 52.3 -64.4 -40.2 43.1 50.0 59.9 79 132 A R H X S+ 0 0 99 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.814 112.3 46.2 -64.2 -34.1 40.4 49.4 62.5 80 133 A E H X S+ 0 0 111 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.893 109.9 52.9 -74.6 -39.2 38.5 52.4 61.3 81 134 A W H X S+ 0 0 19 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.881 112.9 44.1 -61.5 -44.7 38.9 51.5 57.6 82 135 A L H X>S+ 0 0 2 -4,-1.9 5,-2.0 1,-0.2 4,-1.2 0.862 112.0 54.3 -68.5 -38.3 37.5 48.0 58.2 83 136 A A H ><5S+ 0 0 62 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.929 104.8 53.5 -63.5 -46.6 34.8 49.5 60.3 84 137 A R H 3<5S+ 0 0 161 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.762 111.6 46.3 -57.0 -29.6 33.8 51.9 57.5 85 138 A W H 3<5S- 0 0 80 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.661 112.2-121.5 -87.7 -17.1 33.4 48.9 55.2 86 139 A G T <<5 + 0 0 63 -4,-1.2 2,-0.4 -3,-0.6 -3,-0.2 0.639 62.5 141.8 84.6 23.9 31.5 46.9 57.7 87 140 A I < - 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