==== 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 1VSF . 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) . 8108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 68.5 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 . 10 6.8 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 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.9 22.4 28.7 52.8 2 55 A L + 0 0 182 3,-0.0 3,-0.1 0, 0.0 0, 0.0 0.267 360.0 118.8-115.1 9.4 24.8 26.3 54.4 3 56 A G S S- 0 0 53 1,-0.2 28,-0.0 0, 0.0 0, 0.0 -0.002 74.8 -60.2 -64.9 171.8 28.0 27.1 52.4 4 57 A P - 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.057 53.9-109.4 -57.7 150.2 31.2 28.4 53.9 5 58 A L - 0 0 122 -3,-0.1 2,-1.5 1,-0.1 26,-0.0 -0.632 34.7-110.0 -78.6 145.4 31.3 31.7 55.8 6 59 A Q + 0 0 87 -2,-0.2 57,-2.8 24,-0.1 58,-1.4 -0.697 60.0 150.9 -87.9 86.2 33.1 34.5 54.0 7 60 A I E -a 64 0A 57 -2,-1.5 23,-2.0 56,-0.2 24,-0.4 -0.973 26.4-160.9-119.9 127.4 36.2 34.8 56.1 8 61 A W E -aB 65 29A 6 56,-2.4 58,-3.0 -2,-0.4 2,-0.4 -0.714 8.1-151.7-104.4 162.0 39.5 35.9 54.8 9 62 A Q E -aB 66 28A 23 19,-1.9 19,-2.7 -2,-0.3 2,-0.4 -0.993 19.8-173.9-123.2 134.8 43.0 35.4 56.2 10 63 A T E + B 0 27A 0 56,-1.9 58,-0.3 -2,-0.4 2,-0.3 -0.964 10.9 158.3-131.9 147.2 45.6 38.2 55.3 11 64 A D E - B 0 26A 25 15,-2.3 15,-2.9 -2,-0.4 2,-0.4 -0.937 32.5-125.7-155.1 165.4 49.3 38.4 56.0 12 65 A F E - B 0 25A 17 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.916 25.6-175.5-114.4 146.3 52.4 40.2 54.6 13 66 A T E - B 0 24A 24 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.989 24.7-116.8-139.8 146.7 55.5 38.2 53.6 14 67 A L E + B 0 23A 80 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.687 28.6 176.6 -92.3 135.6 58.9 39.5 52.4 15 68 A E > - 0 0 12 7,-2.8 3,-2.7 -2,-0.4 4,-0.0 -0.805 12.8-172.4-138.8 90.1 60.1 38.8 48.9 16 69 A P G > S+ 0 0 85 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.637 82.6 73.2 -57.9 -18.4 63.4 40.4 47.8 17 70 A R G 3 S+ 0 0 47 1,-0.3 110,-2.6 109,-0.1 108,-0.1 0.717 99.5 49.0 -68.3 -17.4 63.0 39.2 44.3 18 71 A M G X S+ 0 0 0 -3,-2.7 3,-1.0 4,-0.2 -1,-0.3 0.209 95.6 172.4-103.2 15.4 60.4 41.9 44.1 19 72 A A T < + 0 0 25 -3,-1.5 22,-0.1 1,-0.3 108,-0.0 -0.264 57.0 37.0 -63.6 149.3 62.4 44.8 45.5 20 73 A P T 3 S+ 0 0 85 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 -0.992 133.8 35.2 -71.2 -16.3 62.1 47.7 45.8 21 74 A R S < S+ 0 0 127 -3,-1.0 20,-0.2 1,-0.2 19,-0.2 -0.555 78.5 148.6-100.1 67.5 58.4 46.8 46.6 22 75 A S + 0 0 22 -2,-1.3 -7,-2.8 19,-0.2 2,-0.6 0.587 34.1 94.6 -79.5 -13.3 59.3 43.6 48.3 23 76 A W E -BC 14 40A 68 17,-2.1 17,-2.6 -9,-0.2 2,-0.5 -0.759 58.7-162.1 -85.0 123.2 56.5 43.3 50.8 24 77 A L E -BC 13 39A 0 -11,-2.8 -11,-2.3 -2,-0.6 2,-0.5 -0.915 6.4-153.5-103.9 130.3 53.7 41.2 49.4 25 78 A A E -BC 12 38A 0 13,-2.3 13,-1.7 -2,-0.5 2,-0.4 -0.844 18.9-168.7-100.1 126.7 50.3 41.4 51.1 26 79 A V E -BC 11 37A 0 -15,-2.9 -15,-2.3 -2,-0.5 2,-0.4 -0.985 10.7-171.5-123.2 130.0 48.5 38.1 50.6 27 80 A T E -BC 10 36A 0 9,-2.5 9,-2.3 -2,-0.4 2,-0.5 -0.963 5.0-163.4-120.6 130.5 44.7 37.4 51.3 28 81 A V E -BC 9 35A 2 -19,-2.7 -19,-1.9 -2,-0.4 2,-0.9 -0.977 16.3-141.5-109.6 125.5 43.3 33.9 51.1 29 82 A D E > -B 8 0A 18 5,-2.7 4,-3.2 -2,-0.5 5,-0.3 -0.802 14.3-156.1 -85.3 110.8 39.4 33.7 50.9 30 83 A T T 4 S+ 0 0 42 -23,-2.0 -1,-0.2 -2,-0.9 -22,-0.1 0.772 86.9 56.8 -63.6 -19.9 38.9 30.7 53.1 31 84 A A T 4 S+ 0 0 38 -24,-0.4 -1,-0.2 1,-0.1 -25,-0.1 0.920 127.1 15.8 -76.1 -39.5 35.5 29.8 51.5 32 85 A S T 4 S- 0 0 69 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.613 92.1-128.6-107.4 -17.3 37.0 29.5 48.0 33 86 A S < + 0 0 64 -4,-3.2 -3,-0.1 1,-0.3 2,-0.0 0.573 55.1 152.0 75.0 8.9 40.7 29.3 48.5 34 87 A A - 0 0 22 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.4 -0.366 34.6-143.6 -68.5 154.3 41.2 32.1 46.0 35 88 A I E -C 28 0A 12 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.958 14.7-169.7-119.9 138.2 44.3 34.2 46.6 36 89 A V E -C 27 0A 2 -9,-2.3 -9,-2.5 -2,-0.4 2,-0.4 -0.996 11.5-179.7-124.0 127.9 44.8 38.0 46.1 37 90 A V E +C 26 0A 11 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.986 6.9 177.0-130.8 142.4 48.3 39.5 46.3 38 91 A T E -C 25 0A 20 -13,-1.7 -13,-2.3 -2,-0.4 2,-0.3 -0.932 25.5-124.2-131.6 163.1 49.5 43.1 45.9 39 92 A Q E -C 24 0A 14 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.884 26.7-177.4-110.7 147.1 53.1 44.5 46.2 40 93 A H E -C 23 0A 22 -17,-2.6 -17,-2.1 -2,-0.3 3,-0.1 -0.962 30.6-138.9-147.1 152.4 54.1 47.3 48.6 41 94 A G S S+ 0 0 37 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.813 90.2 16.6 -81.7 -26.2 57.3 49.3 49.4 42 95 A R S S- 0 0 192 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.2 -0.952 77.0-116.1-150.5 153.9 56.8 49.4 53.2 43 96 A V + 0 0 66 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.849 59.4 140.6 -95.5 104.2 54.7 47.5 55.7 44 97 A T > - 0 0 62 -2,-0.9 4,-1.5 1,-0.1 5,-0.1 -0.906 67.9-100.8-132.9 173.8 52.4 50.2 57.1 45 98 A S H > S+ 0 0 23 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.885 123.3 53.6 -63.3 -39.8 48.7 50.4 58.1 46 99 A V H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.836 103.1 56.6 -68.1 -32.3 48.0 52.2 54.7 47 100 A A H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 107.5 48.4 -67.4 -38.5 49.6 49.4 52.8 48 101 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.881 112.3 49.3 -64.4 -37.8 47.2 46.9 54.4 49 102 A Q H X S+ 0 0 21 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.894 110.4 49.5 -68.7 -37.3 44.2 49.2 53.6 50 103 A H H X S+ 0 0 114 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.921 111.5 49.9 -67.8 -37.1 45.3 49.5 50.0 51 104 A H H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.930 112.4 46.5 -65.2 -48.6 45.6 45.7 49.7 52 105 A W H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.880 105.9 59.3 -67.5 -32.3 42.2 45.1 51.2 53 106 A A H X S+ 0 0 46 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.945 112.0 41.6 -55.9 -46.2 40.6 47.8 48.9 54 107 A T H X S+ 0 0 60 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.875 112.7 52.9 -68.1 -41.9 41.9 45.7 45.9 55 108 A A H X S+ 0 0 0 -4,-2.4 4,-3.6 1,-0.2 5,-0.3 0.888 109.1 50.7 -65.2 -34.5 40.9 42.4 47.4 56 109 A I H X S+ 0 0 16 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.934 107.3 52.6 -65.7 -40.4 37.4 43.8 48.0 57 110 A A H < S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.893 119.1 37.4 -61.8 -34.6 37.1 44.9 44.3 58 111 A V H < S+ 0 0 83 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 132.3 20.6 -85.8 -44.9 38.1 41.4 43.3 59 112 A L H < S- 0 0 53 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.505 101.9-115.1-109.2 -5.7 36.4 39.1 45.8 60 113 A G < - 0 0 36 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.1 -0.225 53.1 -47.0 96.2 173.8 33.5 41.2 47.3 61 114 A R - 0 0 151 -4,-0.1 2,-0.1 -2,-0.1 -55,-0.1 -0.709 59.6-142.9 -85.9 128.2 33.2 42.3 50.9 62 115 A P - 0 0 7 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.358 15.3-126.6 -83.2 175.5 33.9 39.5 53.5 63 116 A K S S- 0 0 146 -57,-2.8 25,-1.8 1,-0.3 2,-0.3 0.822 89.4 -3.7 -87.8 -32.2 32.1 39.1 56.8 64 117 A A E -ad 7 88A 16 -58,-1.4 -56,-2.4 23,-0.2 2,-0.4 -0.998 58.1-146.1-156.1 157.4 35.4 39.0 58.7 65 118 A I E -ad 8 89A 0 23,-2.9 25,-1.8 -2,-0.3 2,-0.4 -0.988 11.5-153.6-126.7 133.9 39.1 39.0 58.2 66 119 A K E +ad 9 90A 17 -58,-3.0 -56,-1.9 -2,-0.4 2,-0.3 -0.892 25.3 157.8-104.5 134.2 41.6 37.2 60.4 67 120 A T - 0 0 0 23,-1.7 -56,-0.1 -2,-0.4 32,-0.1 -0.826 40.8-102.5-138.2 177.7 45.2 38.5 60.8 68 121 A D - 0 0 51 -58,-0.3 -1,-0.1 -2,-0.3 24,-0.1 -0.145 50.5 -89.3 -89.0-176.2 48.0 38.2 63.3 69 122 A N S S+ 0 0 101 22,-0.1 5,-0.1 -2,-0.1 22,-0.1 0.203 70.5 148.3 -88.5 18.3 48.8 41.0 65.7 70 123 A G >> - 0 0 29 1,-0.1 3,-1.8 2,-0.1 4,-1.1 -0.171 57.9-118.9 -46.3 140.9 51.2 42.9 63.4 71 124 A S H 3> S+ 0 0 97 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.719 109.4 64.3 -67.7 -15.6 50.8 46.6 64.1 72 125 A C H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.582 108.5 43.5 -78.6 -7.5 49.7 47.5 60.6 73 126 A F H <4 S+ 0 0 3 -3,-1.8 -1,-0.2 5,-0.1 -2,-0.2 0.547 117.8 41.8-102.8 -23.7 46.6 45.4 61.3 74 127 A T H < S+ 0 0 43 -4,-1.1 -2,-0.2 -5,-0.1 -3,-0.1 0.583 84.1 117.7-105.9 -1.8 45.8 46.6 64.8 75 128 A S S X S- 0 0 30 -4,-1.2 4,-2.4 -5,-0.1 5,-0.2 -0.075 76.7-113.3 -62.5 165.7 46.5 50.3 64.5 76 129 A K H > S+ 0 0 185 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.902 117.5 56.1 -61.6 -44.6 43.6 52.8 65.1 77 130 A S H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 110.4 42.1 -58.4 -52.3 43.8 53.8 61.5 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.904 112.6 54.3 -67.7 -37.2 43.3 50.2 60.2 79 132 A R H X S+ 0 0 141 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.916 111.2 45.4 -65.1 -36.4 40.6 49.4 62.8 80 133 A E H X S+ 0 0 114 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.870 109.3 55.0 -70.3 -36.6 38.6 52.5 61.7 81 134 A W H X S+ 0 0 18 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.938 110.8 45.2 -64.6 -42.8 39.1 51.6 58.0 82 135 A L H X>S+ 0 0 3 -4,-2.1 5,-2.3 2,-0.2 4,-0.9 0.919 112.3 52.5 -68.9 -38.1 37.6 48.1 58.6 83 136 A A H ><5S+ 0 0 63 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.901 104.3 56.1 -65.6 -37.6 34.7 49.7 60.7 84 137 A R H 3<5S+ 0 0 168 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 112.5 42.2 -61.8 -37.6 34.0 52.1 57.8 85 138 A W H 3<5S- 0 0 85 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.574 112.8-121.7 -83.7 -11.0 33.5 49.0 55.5 86 139 A G T <<5 + 0 0 56 -4,-0.9 2,-0.4 -3,-0.6 -3,-0.2 0.834 60.8 147.0 75.6 32.3 31.5 47.1 58.2 87 140 A I < - 0 0 9 -5,-2.3 -1,-0.3 -23,-0.0 -23,-0.2 -0.883 45.4-129.8-106.3 130.3 34.0 44.1 58.2 88 141 A A E -d 64 0A 61 -25,-1.8 -23,-2.9 -2,-0.4 2,-0.4 -0.488 22.4-156.7 -76.9 141.7 34.7 42.2 61.5 89 142 A H E +d 65 0A 46 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.986 14.9 174.2-126.6 134.2 38.3 41.7 62.5 90 143 A T E -d 66 0A 67 -25,-1.8 -23,-1.7 -2,-0.4 3,-0.1 -0.972 27.6-163.6-139.8 143.8 39.8 39.1 64.7 91 144 A T - 0 0 33 1,-0.4 5,-0.2 -2,-0.3 8,-0.2 0.089 49.2-137.9-107.5 16.2 43.4 38.2 65.5 92 145 A G - 0 0 32 -24,-0.1 -1,-0.4 2,-0.1 8,-0.0 -0.188 55.6 -5.3 58.2-154.5 42.0 34.9 66.8 93 146 A I S > S- 0 0 106 1,-0.1 3,-1.7 -3,-0.1 2,-1.1 -0.398 77.5-111.7 -71.4 141.5 43.2 33.3 70.1 94 147 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.617 113.4 8.7 -72.8 100.5 46.1 35.1 71.8 95 148 A G T 3 S+ 0 0 79 -2,-1.1 -2,-0.1 0, 0.0 -3,-0.1 0.800 87.6 164.1 84.8 37.1 49.0 32.6 71.3 96 149 A N < - 0 0 44 -3,-1.7 -3,-0.1 -5,-0.2 -4,-0.0 0.672 53.2-124.5 -58.5 -23.1 46.4 30.9 69.1 97 150 A S S S- 0 0 121 -4,-0.2 -1,-0.1 2,-0.0 3,-0.0 -0.023 73.5 -47.6 87.4 -14.5 49.4 29.0 67.9 98 151 A Q - 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