==== 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 TRANSFERASE 30-AUG-99 1CXU . COMPND 2 MOLECULE: PROTEIN (AVIAN SARCOMA VIRUS INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS; . AUTHOR J.LUBKOWSKI,Z.DAUTER,F.YANG,J.ALEXANDRATOS,A.WLODAWER . 143 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.5 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 . 7 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 39.9 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 1 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 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 56 A G > 0 0 83 0, 0.0 3,-0.5 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 173.7 29.2 34.1 47.1 2 57 A P T 3 + 0 0 96 0, 0.0 56,-0.0 0, 0.0 0, 0.0 0.358 360.0 55.1 -88.7 6.1 27.7 36.4 49.7 3 58 A L T 3 S+ 0 0 131 57,-0.1 2,-0.1 58,-0.1 59,-0.0 -0.133 70.6 155.9-132.2 32.3 29.4 34.8 52.8 4 59 A Q < - 0 0 17 -3,-0.5 57,-2.1 55,-0.3 58,-1.5 -0.338 24.0-164.7 -68.9 145.3 33.1 34.9 52.1 5 60 A I E -a 62 0A 67 56,-0.2 23,-2.6 55,-0.2 24,-0.3 -0.984 14.3-165.1-123.1 114.6 35.6 34.9 54.8 6 61 A W E -aB 63 27A 0 56,-2.4 58,-2.9 -2,-0.5 2,-0.4 -0.697 16.1-149.9-101.5 157.3 39.1 35.9 53.8 7 62 A Q E -aB 64 26A 10 19,-2.3 19,-2.6 -2,-0.3 2,-0.4 -0.995 23.3-173.7-116.5 134.3 42.5 35.6 55.4 8 63 A T E + B 0 25A 0 56,-2.1 58,-0.4 -2,-0.4 2,-0.3 -0.973 13.3 147.9-127.9 139.2 45.0 38.4 54.5 9 64 A D E - B 0 24A 11 15,-2.2 15,-2.8 -2,-0.4 2,-0.4 -0.922 38.1-111.4-147.7-177.0 48.7 38.9 55.3 10 65 A F E - B 0 23A 29 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.949 26.7-175.4-116.0 144.1 51.9 40.5 53.8 11 66 A T E - B 0 22A 14 11,-2.2 11,-2.7 -2,-0.4 2,-0.5 -0.999 24.5-122.9-139.5 140.3 54.9 38.5 52.6 12 67 A L E + B 0 21A 82 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.722 28.3 175.1 -90.6 124.8 58.3 39.8 51.4 13 68 A E > - 0 0 13 7,-3.0 3,-2.4 -2,-0.5 -1,-0.0 -0.853 12.8-170.6-131.2 88.0 59.4 38.8 47.9 14 69 A P G > S+ 0 0 80 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.746 80.7 75.2 -58.7 -19.0 62.6 40.4 46.7 15 70 A R G 3 S+ 0 0 56 1,-0.3 110,-2.4 109,-0.2 108,-0.1 0.750 99.3 48.7 -57.0 -22.2 62.2 39.1 43.1 16 71 A M G X S+ 0 0 0 -3,-2.4 3,-0.6 108,-0.1 -1,-0.3 0.159 97.9 174.7-104.5 14.6 59.5 41.8 42.9 17 72 A A T < + 0 0 25 -3,-1.9 22,-0.1 1,-0.3 108,-0.0 -0.304 55.4 33.1 -68.0 152.1 61.6 44.7 44.3 18 73 A P T 3 S+ 0 0 93 0, 0.0 2,-1.9 0, 0.0 -1,-0.3 -0.968 134.4 37.0 -72.8 -22.1 61.3 47.6 44.6 19 74 A R S < S+ 0 0 126 -3,-0.6 19,-0.2 1,-0.2 20,-0.2 -0.405 80.3 143.3 -87.5 66.4 57.6 46.8 45.2 20 75 A S + 0 0 19 -2,-1.9 -7,-3.0 19,-0.2 2,-0.9 0.454 31.9 97.6 -89.4 -1.5 58.5 43.6 47.0 21 76 A W E -BC 12 38A 81 17,-2.3 17,-1.9 -3,-0.2 2,-0.5 -0.818 60.6-159.1 -90.1 113.2 55.9 43.5 49.7 22 77 A L E -BC 11 37A 0 -11,-2.7 -11,-2.2 -2,-0.9 2,-0.5 -0.793 6.1-151.5 -91.9 126.2 53.2 41.3 48.4 23 78 A A E -BC 10 36A 0 13,-2.4 13,-2.0 -2,-0.5 2,-0.4 -0.866 21.6-165.6 -93.4 129.3 49.7 41.6 50.0 24 79 A V E -BC 9 35A 0 -15,-2.8 -15,-2.2 -2,-0.5 2,-0.4 -0.979 14.1-177.0-127.3 127.3 48.0 38.3 49.8 25 80 A T E -BC 8 34A 0 9,-2.4 9,-2.3 -2,-0.4 2,-0.4 -0.979 4.0-168.9-121.6 135.4 44.4 37.3 50.3 26 81 A V E -BC 7 33A 4 -19,-2.6 -19,-2.3 -2,-0.4 2,-0.6 -0.997 22.7-133.9-116.8 136.6 42.8 33.8 50.3 27 82 A D E > -B 6 0A 11 5,-2.5 4,-2.9 -2,-0.4 -21,-0.2 -0.781 21.2-146.0 -81.2 117.7 39.1 33.2 50.2 28 83 A T T 4 S+ 0 0 39 -23,-2.6 -1,-0.1 -2,-0.6 -22,-0.1 0.834 90.7 43.9 -63.5 -36.5 38.8 30.5 52.9 29 84 A A T 4 S+ 0 0 94 -24,-0.3 -1,-0.2 1,-0.2 -23,-0.1 0.910 128.0 25.5 -74.0 -41.4 35.9 28.5 51.2 30 85 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.638 92.0-133.8 -96.4 -19.5 37.2 28.5 47.6 31 86 A S < + 0 0 67 -4,-2.9 -3,-0.1 1,-0.2 2,-0.1 0.508 49.3 155.7 71.4 5.5 40.9 28.9 48.2 32 87 A A - 0 0 24 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.4 -0.380 30.2-145.9 -62.4 142.7 41.1 31.6 45.4 33 88 A I E -C 26 0A 8 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.896 16.4-169.1-114.3 138.6 44.0 34.0 45.9 34 89 A V E -C 25 0A 1 -9,-2.3 -9,-2.4 -2,-0.4 2,-0.4 -0.998 13.6-176.2-118.6 135.0 44.4 37.6 45.1 35 90 A V E +C 24 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.991 6.3 176.6-134.3 138.4 47.9 39.2 45.2 36 91 A T E -C 23 0A 21 -13,-2.0 -13,-2.4 -2,-0.4 2,-0.3 -0.947 26.0-120.6-132.4 156.0 49.1 42.8 44.8 37 92 A Q E +C 22 0A 35 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.812 29.1 177.4-102.4 141.2 52.6 44.5 45.0 38 93 A H E -C 21 0A 12 -17,-1.9 -17,-2.3 -2,-0.3 3,-0.1 -0.970 32.6-141.3-141.2 145.7 53.5 47.3 47.4 39 94 A G S S+ 0 0 34 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.788 89.7 15.5 -78.3 -26.6 56.6 49.3 48.3 40 95 A R S S- 0 0 180 -19,-0.1 2,-0.8 -21,-0.1 -1,-0.2 -0.975 77.1-112.7-142.9 154.0 55.9 49.4 52.1 41 96 A V + 0 0 56 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.821 59.3 142.3 -87.4 107.4 53.6 47.6 54.6 42 97 A T > - 0 0 40 -2,-0.8 4,-2.0 1,-0.1 5,-0.2 -0.907 66.5-104.5-138.5 162.8 51.2 50.3 55.7 43 98 A S H > S+ 0 0 24 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.937 123.0 51.6 -52.9 -47.8 47.5 50.6 56.6 44 99 A V H > S+ 0 0 70 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.869 105.2 55.3 -63.2 -35.8 46.8 52.3 53.2 45 100 A A H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 108.3 48.7 -65.4 -40.8 48.7 49.4 51.3 46 101 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.900 112.0 49.1 -59.0 -43.2 46.3 46.9 53.0 47 102 A Q H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 109.8 50.2 -65.2 -43.4 43.4 49.0 52.0 48 103 A H H X S+ 0 0 118 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.915 111.5 50.6 -58.1 -40.1 44.6 49.3 48.3 49 104 A H H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.944 110.1 47.6 -61.0 -52.6 45.0 45.6 48.3 50 105 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.860 107.0 57.8 -63.2 -32.3 41.5 44.9 49.6 51 106 A A H X S+ 0 0 46 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.937 110.8 43.4 -60.0 -43.3 40.0 47.3 47.1 52 107 A T H X S+ 0 0 65 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.935 112.1 53.0 -61.7 -46.6 41.5 45.3 44.3 53 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.873 106.2 53.5 -60.8 -35.7 40.5 42.0 46.0 54 109 A I H X S+ 0 0 19 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.908 107.3 51.8 -65.6 -37.1 36.8 43.2 46.2 55 110 A A H < S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.784 118.1 38.4 -68.7 -26.0 36.9 44.0 42.4 56 111 A V H < S+ 0 0 80 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.880 134.2 15.9 -87.2 -44.8 38.2 40.5 41.7 57 112 A L H < S- 0 0 40 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.595 104.6-110.1-108.1 -19.0 36.3 38.3 44.2 58 113 A G < - 0 0 30 -4,-2.0 -1,-0.3 -5,-0.5 -2,-0.1 -0.398 53.5 -45.1 101.8 172.0 33.3 40.4 45.5 59 114 A R - 0 0 137 -2,-0.2 -55,-0.3 -4,-0.1 2,-0.1 -0.701 60.9-143.1 -82.0 122.2 32.8 42.0 48.9 60 115 A P - 0 0 0 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.383 12.3-134.7 -82.5 160.7 33.5 39.6 51.8 61 116 A K S S+ 0 0 104 -57,-2.1 25,-2.4 1,-0.3 2,-0.3 0.817 85.1 1.5 -77.2 -33.3 31.6 39.3 55.1 62 117 A A E -ad 5 86A 24 -58,-1.5 -56,-2.4 23,-0.2 2,-0.4 -0.992 56.8-151.0-156.1 155.3 34.7 39.2 57.2 63 118 A I E -ad 6 87A 0 23,-2.0 25,-1.8 -2,-0.3 2,-0.4 -0.996 10.4-153.4-132.1 130.3 38.5 39.3 57.0 64 119 A K E +ad 7 88A 49 -58,-2.9 -56,-2.1 -2,-0.4 2,-0.3 -0.892 26.7 155.8-101.9 131.7 40.9 37.6 59.5 65 120 A T E - d 0 89A 1 23,-2.2 25,-0.7 -2,-0.4 -56,-0.1 -0.841 41.4 -96.1-137.1 176.5 44.4 39.1 59.9 66 121 A D E - d 0 90A 36 -58,-0.4 25,-0.2 -2,-0.3 -1,-0.1 -0.233 45.4 -97.2 -86.7-169.5 47.2 39.2 62.6 67 122 A N S S+ 0 0 70 23,-1.2 24,-0.1 22,-0.1 5,-0.1 0.058 70.7 136.5-101.6 27.7 47.6 42.0 65.1 68 123 A G S >> S- 0 0 26 1,-0.1 3,-1.5 3,-0.1 4,-1.4 -0.273 70.2 -99.1 -65.6 163.5 50.3 44.0 63.3 69 124 A S H 3> S+ 0 0 99 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.709 119.5 58.9 -57.1 -33.0 50.0 47.8 63.2 70 125 A C H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.677 114.3 38.9 -77.5 -14.3 48.6 48.0 59.6 71 126 A F H <4 S+ 0 0 6 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.653 117.4 45.9-102.1 -22.9 45.6 45.8 60.7 72 127 A T H < S+ 0 0 81 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.462 87.1 117.8 -99.7 -1.4 45.0 47.3 64.2 73 128 A S S X S- 0 0 27 -4,-0.9 4,-2.7 -5,-0.2 5,-0.2 -0.172 75.2-121.3 -67.5 153.6 45.1 50.9 63.2 74 129 A K H > S+ 0 0 162 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 114.0 58.1 -59.0 -37.4 42.3 53.4 63.5 75 130 A S H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 109.4 40.8 -55.9 -51.0 42.7 53.9 59.7 76 131 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.894 111.9 56.4 -70.3 -36.3 42.1 50.3 58.9 77 132 A R H X S+ 0 0 159 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.941 111.4 44.0 -60.1 -41.8 39.4 49.9 61.4 78 133 A E H X S+ 0 0 112 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.899 110.2 54.3 -67.2 -35.9 37.5 52.8 59.8 79 134 A W H X S+ 0 0 16 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.929 111.1 46.0 -62.8 -45.0 38.1 51.6 56.2 80 135 A L H X>S+ 0 0 3 -4,-2.3 5,-2.6 2,-0.2 4,-0.6 0.936 112.4 50.2 -63.6 -39.6 36.6 48.2 57.0 81 136 A A H ><5S+ 0 0 67 -4,-2.0 3,-1.0 -5,-0.3 -2,-0.2 0.902 105.3 57.8 -66.0 -37.6 33.7 49.7 58.8 82 137 A R H 3<5S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.0 41.6 -55.1 -38.4 33.1 52.0 55.7 83 138 A W H 3<5S- 0 0 87 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.514 112.5-119.4 -87.1 -5.6 32.8 48.8 53.6 84 139 A G T <<5 + 0 0 58 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.2 0.874 63.3 146.7 67.6 33.5 30.7 47.0 56.2 85 140 A I < - 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