==== 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 DNA INTEGRATION 25-AUG-95 1ASU . COMPND 2 MOLECULE: AVIAN SARCOMA VIRUS INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS; . AUTHOR G.BUJACZ,M.JASKOLSKI,J.ALEXANDRATOS,A.WLODAWER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 48 A P 0 0 140 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.9 15.5 34.0 58.0 2 49 A L + 0 0 178 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.553 360.0 129.5 -79.5 100.4 18.2 36.2 56.3 3 50 A R - 0 0 196 -2,-1.1 3,-0.2 4,-0.1 4,-0.2 -0.925 41.3 -54.9-138.1 157.8 21.6 34.9 57.5 4 51 A E S S+ 0 0 117 -2,-0.3 7,-0.1 1,-0.2 -1,-0.0 -0.192 75.0 36.9 -87.1 178.6 24.9 33.9 55.7 5 52 A P S S- 0 0 11 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.103 92.5 -74.6-122.1 92.0 26.7 32.6 53.9 6 53 A R S > S- 0 0 232 -3,-0.2 3,-1.9 1,-0.2 2,-0.3 0.970 98.6 -46.1 62.0 82.1 25.2 32.0 50.5 7 54 A G T 3 S- 0 0 66 1,-0.3 -1,-0.2 -4,-0.2 -4,-0.1 -0.431 118.9 -29.3 66.8-121.1 23.0 29.0 51.3 8 55 A L T 3 S+ 0 0 184 -2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.269 107.8 129.2-105.8 5.2 24.8 26.5 53.4 9 56 A G S < S- 0 0 26 -3,-1.9 28,-0.0 1,-0.1 -2,-0.0 -0.000 70.1 -74.9 -58.1 166.5 28.1 27.6 51.7 10 57 A P - 0 0 89 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.185 54.9-100.3 -62.2 152.5 31.2 28.5 53.6 11 58 A L - 0 0 84 -7,-0.1 2,-1.5 -3,-0.1 -3,-0.0 -0.504 33.9-108.9 -75.1 150.8 31.4 31.9 55.3 12 59 A Q + 0 0 57 -2,-0.1 57,-2.5 24,-0.1 58,-1.5 -0.653 60.7 147.6 -85.5 82.9 33.2 34.8 53.6 13 60 A I E -a 70 0A 56 -2,-1.5 23,-2.2 56,-0.2 24,-0.4 -0.979 28.4-158.8-121.3 131.7 36.3 35.1 55.9 14 61 A W E -aB 71 35A 4 56,-2.4 58,-3.2 -2,-0.4 2,-0.4 -0.756 8.8-151.0-108.3 160.6 39.7 36.1 54.6 15 62 A Q E -aB 72 34A 25 19,-2.1 19,-2.8 -2,-0.3 2,-0.4 -0.991 20.9-174.3-124.5 132.6 43.2 35.7 56.0 16 63 A T E + B 0 33A 0 56,-2.0 58,-0.3 -2,-0.4 2,-0.3 -0.987 10.2 158.9-133.1 142.8 45.8 38.4 55.1 17 64 A D E - B 0 32A 24 15,-2.2 15,-3.0 -2,-0.4 2,-0.4 -0.936 33.1-121.9-150.7 167.1 49.5 38.6 55.7 18 65 A F E - B 0 31A 18 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.928 27.2-175.3-111.5 140.2 52.6 40.5 54.5 19 66 A T E - B 0 30A 16 11,-2.7 11,-3.1 -2,-0.4 2,-0.5 -0.997 22.7-123.6-137.3 144.3 55.6 38.5 53.2 20 67 A L E + B 0 29A 78 -2,-0.4 9,-0.2 9,-0.2 8,-0.1 -0.726 26.7 175.7 -93.0 128.6 59.0 39.8 52.0 21 68 A E > - 0 0 16 7,-3.0 3,-2.4 -2,-0.5 4,-0.1 -0.818 12.9-169.5-136.2 94.7 60.3 38.9 48.5 22 69 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.738 82.8 72.3 -57.9 -21.3 63.6 40.5 47.5 23 70 A R G 3 S+ 0 0 46 1,-0.3 110,-2.8 109,-0.2 108,-0.1 0.744 98.6 51.9 -65.8 -17.8 63.2 39.4 43.9 24 71 A M G X S+ 0 0 0 -3,-2.4 3,-1.0 4,-0.2 -1,-0.3 0.234 95.5 173.1 -99.9 12.6 60.5 42.1 43.7 25 72 A A T < + 0 0 25 -3,-1.7 22,-0.1 1,-0.3 108,-0.0 -0.339 55.6 34.7 -63.6 150.2 62.6 45.0 45.1 26 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.980 133.6 35.9 -74.5 -14.6 62.3 47.8 45.5 27 74 A R S < S+ 0 0 118 -3,-1.0 20,-0.2 1,-0.2 19,-0.2 -0.551 78.7 149.8 -96.1 69.9 58.6 47.0 46.2 28 75 A S + 0 0 21 -2,-1.4 -7,-3.0 19,-0.3 2,-0.6 0.546 33.5 96.0 -83.3 -6.6 59.5 43.8 47.9 29 76 A W E -BC 20 46A 70 17,-2.4 17,-3.0 -9,-0.2 2,-0.5 -0.777 57.8-163.1 -91.1 118.6 56.6 43.6 50.4 30 77 A L E -BC 19 45A 0 -11,-3.1 -11,-2.7 -2,-0.6 2,-0.5 -0.921 5.6-154.6-100.3 125.6 53.9 41.4 49.1 31 78 A A E -BC 18 44A 0 13,-2.5 13,-1.8 -2,-0.5 2,-0.4 -0.878 18.8-169.3 -96.5 129.2 50.5 41.7 50.8 32 79 A V E -BC 17 43A 0 -15,-3.0 -15,-2.2 -2,-0.5 2,-0.4 -0.976 12.5-173.0-128.5 133.0 48.6 38.4 50.3 33 80 A T E -BC 16 42A 0 9,-2.6 9,-2.2 -2,-0.4 2,-0.5 -0.975 4.2-166.0-121.2 131.2 44.9 37.6 51.0 34 81 A V E -BC 15 41A 4 -19,-2.8 -19,-2.1 -2,-0.4 2,-0.7 -0.965 17.3-139.8-115.9 132.0 43.4 34.1 50.8 35 82 A D E > -B 14 0A 18 5,-2.6 4,-2.8 -2,-0.5 5,-0.3 -0.865 10.5-152.9 -87.8 116.1 39.6 33.8 50.8 36 83 A T T 4 S+ 0 0 43 -23,-2.2 -1,-0.1 -2,-0.7 -22,-0.1 0.689 89.0 58.4 -66.7 -16.0 39.0 30.8 53.0 37 84 A A T 4 S+ 0 0 37 -24,-0.4 -1,-0.2 1,-0.1 -25,-0.1 0.952 127.1 11.6 -78.8 -45.7 35.7 30.0 51.2 38 85 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.617 91.9-126.1-105.5 -12.6 37.1 29.6 47.6 39 86 A S < + 0 0 72 -4,-2.8 -3,-0.1 1,-0.3 2,-0.1 0.579 56.3 154.2 72.5 13.2 40.9 29.5 48.3 40 87 A A - 0 0 20 -5,-0.3 -5,-2.6 -6,-0.1 2,-0.4 -0.396 31.5-147.2 -67.4 150.8 41.3 32.3 45.8 41 88 A I E -C 34 0A 12 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.933 15.0-169.4-124.6 143.6 44.3 34.5 46.4 42 89 A V E -C 33 0A 2 -9,-2.2 -9,-2.6 -2,-0.4 2,-0.4 -1.000 11.1-177.4-128.2 131.2 44.9 38.2 45.8 43 90 A V E +C 32 0A 11 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.982 5.8 177.3-132.5 143.5 48.4 39.6 46.0 44 91 A T E -C 31 0A 22 -13,-1.8 -13,-2.5 -2,-0.4 2,-0.4 -0.926 24.6-124.7-134.8 156.9 49.7 43.3 45.6 45 92 A Q E -C 30 0A 18 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.872 25.5-175.4-114.1 145.4 53.2 44.7 46.0 46 93 A H E -C 29 0A 21 -17,-3.0 -17,-2.4 -2,-0.4 3,-0.1 -0.961 30.9-139.7-136.8 151.4 54.3 47.5 48.3 47 94 A G S S+ 0 0 37 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.3 0.839 90.9 12.9 -79.9 -33.9 57.4 49.5 49.1 48 95 A R S S- 0 0 196 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.2 -0.977 76.9-114.0-144.7 153.5 56.9 49.5 52.9 49 96 A V + 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.799 59.8 138.0 -91.4 105.1 54.7 47.7 55.3 50 97 A T > - 0 0 63 -2,-0.9 4,-1.7 28,-0.1 5,-0.2 -0.890 68.3 -97.2-136.3 173.1 52.4 50.4 56.8 51 98 A S H > S+ 0 0 25 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.912 123.4 52.4 -60.8 -40.4 48.7 50.8 57.7 52 99 A V H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.863 103.7 56.1 -66.7 -35.9 48.0 52.4 54.4 53 100 A A H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 108.3 48.8 -61.6 -43.2 49.7 49.6 52.4 54 101 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.924 112.7 47.8 -60.8 -44.3 47.2 47.1 54.1 55 102 A Q H X S+ 0 0 19 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.928 111.3 50.3 -66.0 -41.1 44.2 49.4 53.3 56 103 A H H X S+ 0 0 113 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.896 111.3 49.3 -61.6 -39.5 45.3 49.7 49.7 57 104 A H H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.957 112.0 46.8 -65.0 -49.2 45.7 45.9 49.4 58 105 A W H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.873 107.2 57.7 -67.2 -31.8 42.3 45.2 50.9 59 106 A A H X S+ 0 0 43 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.931 110.9 43.5 -60.8 -45.5 40.7 47.9 48.6 60 107 A T H X S+ 0 0 64 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.911 113.1 51.4 -64.3 -43.3 42.1 45.9 45.6 61 108 A A H X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.2 5,-0.4 0.899 107.2 53.3 -61.3 -40.0 41.0 42.5 47.1 62 109 A I H X S+ 0 0 17 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.910 106.1 53.3 -63.7 -39.0 37.4 43.9 47.7 63 110 A A H < S+ 0 0 89 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.863 118.9 36.0 -63.9 -31.5 37.2 44.9 44.0 64 111 A V H < S+ 0 0 85 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.919 131.9 22.8 -85.4 -49.5 38.3 41.3 43.0 65 112 A L H < S- 0 0 54 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.538 102.7-114.8-100.8 -9.1 36.5 39.1 45.6 66 113 A G < - 0 0 37 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.282 53.7 -47.9 95.3 173.5 33.6 41.2 47.0 67 114 A R - 0 0 140 -2,-0.1 2,-0.1 -4,-0.1 -55,-0.1 -0.702 61.9-142.7 -84.0 127.0 33.3 42.5 50.6 68 115 A P - 0 0 4 0, 0.0 -55,-0.2 0, 0.0 26,-0.1 -0.413 14.5-127.3 -83.1 168.7 34.0 39.7 53.1 69 116 A K S S- 0 0 84 -57,-2.5 25,-2.1 1,-0.3 2,-0.3 0.848 89.2 -0.6 -82.5 -34.5 32.2 39.3 56.4 70 117 A A E -ad 13 94A 17 -58,-1.5 -56,-2.4 23,-0.2 2,-0.4 -0.993 58.2-146.4-151.5 158.6 35.5 39.2 58.4 71 118 A I E -ad 14 95A 0 23,-2.4 25,-2.2 -2,-0.3 2,-0.5 -0.994 12.3-153.9-128.3 131.6 39.2 39.4 58.0 72 119 A K E +ad 15 96A 23 -58,-3.2 -56,-2.0 -2,-0.4 2,-0.2 -0.904 25.3 156.9-105.1 130.1 41.7 37.5 60.1 73 120 A T - 0 0 0 23,-2.0 -56,-0.1 -2,-0.5 2,-0.1 -0.797 41.2-104.5-136.9 177.3 45.3 38.9 60.6 74 121 A D - 0 0 62 -58,-0.3 -1,-0.1 -2,-0.2 24,-0.1 -0.161 50.7 -88.2 -89.1-164.3 48.1 38.5 63.1 75 122 A N S S+ 0 0 110 22,-0.1 5,-0.1 -2,-0.1 22,-0.1 0.227 71.8 142.4 -94.8 19.3 48.7 41.4 65.6 76 123 A G >> - 0 0 30 1,-0.1 3,-1.9 3,-0.1 4,-1.6 -0.129 61.2-116.4 -55.7 153.1 51.2 43.4 63.5 77 124 A S H 3> S+ 0 0 97 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.764 111.1 65.6 -67.5 -25.0 50.7 47.2 63.9 78 125 A C H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.681 111.2 40.1 -72.3 -13.6 49.7 47.8 60.3 79 126 A F H <4 S+ 0 0 3 -3,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.675 120.0 40.7-101.8 -25.1 46.6 45.7 61.1 80 127 A T H < S+ 0 0 39 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.467 84.5 119.7-104.0 0.3 45.8 46.9 64.6 81 128 A S S X S- 0 0 30 -4,-1.3 4,-2.8 -5,-0.2 5,-0.2 -0.141 76.0-115.1 -61.8 158.9 46.5 50.6 64.2 82 129 A K H > S+ 0 0 183 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 116.8 56.9 -59.9 -40.8 43.6 53.1 64.8 83 130 A S H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 110.2 42.0 -57.1 -48.9 43.8 54.0 61.1 84 131 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 111.5 54.7 -71.0 -39.0 43.3 50.4 59.9 85 132 A R H X S+ 0 0 140 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.901 110.5 47.6 -61.4 -38.3 40.6 49.7 62.5 86 133 A E H X S+ 0 0 115 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.864 108.8 53.3 -67.9 -38.5 38.7 52.8 61.2 87 134 A W H X S+ 0 0 18 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.921 110.7 46.4 -63.0 -43.5 39.1 51.8 57.6 88 135 A L H X>S+ 0 0 4 -4,-2.4 5,-2.0 2,-0.2 4,-1.0 0.915 112.3 51.1 -66.4 -40.5 37.6 48.3 58.3 89 136 A A H ><5S+ 0 0 65 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.910 104.7 57.7 -63.6 -37.7 34.7 49.9 60.3 90 137 A R H 3<5S+ 0 0 166 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.881 112.8 40.4 -58.6 -38.3 34.0 52.3 57.4 91 138 A W H 3<5S- 0 0 85 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.586 111.4-121.0 -87.2 -10.7 33.5 49.2 55.2 92 139 A G T <<5 + 0 0 63 -4,-1.0 2,-0.5 -3,-0.6 -3,-0.2 0.805 60.4 146.9 75.9 30.6 31.6 47.2 57.9 93 140 A I < - 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