==== 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 ZN-BINDING PROTEIN 13-MAY-97 1WJC . COMPND 2 MOLECULE: HIV-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR G.M.CLORE,M.CAI,M.CAFFREY,A.M.GRONENBORN . 94 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A F > 0 0 101 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -66.4 94.4 -4.2 25.2 2 2 A L H > + 0 0 106 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.853 360.0 57.3 -72.3 -33.5 94.7 -1.3 27.7 3 3 A D H > S+ 0 0 143 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.991 112.5 36.7 -62.9 -60.1 94.2 1.3 25.0 4 4 A G H > S+ 0 0 29 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.932 117.4 53.4 -60.0 -43.7 90.8 0.1 23.7 5 5 A I H X S+ 0 0 14 -4,-1.6 4,-4.3 1,-0.2 5,-0.3 0.906 99.9 61.5 -60.2 -39.9 89.6 -0.9 27.2 6 6 A D H X S+ 0 0 112 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.955 112.8 37.6 -54.0 -46.0 90.4 2.6 28.6 7 7 A K H X S+ 0 0 153 -4,-1.4 4,-1.7 2,-0.2 3,-0.3 0.965 119.5 46.8 -68.7 -51.3 87.8 4.0 26.1 8 8 A A H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.871 105.6 61.8 -60.6 -34.1 85.4 1.0 26.5 9 9 A Q H X S+ 0 0 95 -4,-4.3 4,-2.3 -5,-0.3 -1,-0.2 0.939 102.2 50.6 -59.8 -42.7 85.8 1.3 30.3 10 10 A E H X S+ 0 0 125 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.933 108.4 52.1 -62.0 -41.3 84.4 4.8 30.2 11 11 A E H X S+ 0 0 51 -4,-1.7 4,-1.7 1,-0.2 6,-0.4 0.928 108.0 52.9 -61.2 -40.1 81.4 3.5 28.2 12 12 A H H X S+ 0 0 7 -4,-2.4 4,-3.9 1,-0.2 3,-0.2 0.955 109.0 48.0 -60.4 -48.7 80.9 0.8 30.8 13 13 A E H < S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 108.3 55.8 -60.2 -40.5 80.8 3.4 33.7 14 14 A K H < S- 0 0 114 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.884 135.7 -0.5 -61.5 -39.9 78.3 5.6 31.8 15 15 A Y H < S- 0 0 139 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.385 83.5-126.8-131.6 -0.7 75.7 2.8 31.3 16 16 A H < - 0 0 75 -4,-3.9 -4,-0.2 -5,-0.4 -3,-0.1 0.935 45.6-170.6 51.6 40.6 77.1 -0.4 33.0 17 17 A S - 0 0 22 -6,-0.4 -1,-0.1 -5,-0.2 -2,-0.1 -0.217 24.8 -99.1 -62.5 156.2 76.4 -1.9 29.6 18 18 A N >> - 0 0 117 1,-0.1 4,-1.9 -3,-0.1 3,-0.5 -0.321 34.7-104.9 -73.5 160.0 76.8 -5.7 29.3 19 19 A W H 3> S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.822 119.7 62.6 -57.7 -27.5 80.0 -7.2 27.8 20 20 A R H 3> S+ 0 0 179 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 104.4 45.4 -64.5 -45.1 78.0 -8.0 24.6 21 21 A A H <> S+ 0 0 42 -3,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.953 115.2 46.7 -64.3 -46.8 77.3 -4.3 24.0 22 22 A M H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 6,-0.3 0.928 110.9 53.2 -61.9 -41.3 80.9 -3.3 24.7 23 23 A A H X>S+ 0 0 13 -4,-2.7 5,-1.3 -5,-0.2 4,-1.0 0.937 114.0 41.7 -59.9 -44.2 82.2 -6.1 22.5 24 24 A S H <5S+ 0 0 90 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.887 111.0 57.0 -71.7 -36.9 80.0 -4.9 19.6 25 25 A D H <5S+ 0 0 99 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.945 127.4 18.1 -60.0 -46.9 80.8 -1.2 20.3 26 26 A F H <5S- 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.379 101.8-125.5-106.1 3.7 84.6 -1.8 19.9 27 27 A N T <5 + 0 0 141 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.2 0.933 58.8 149.4 54.4 45.4 84.3 -5.2 18.1 28 28 A L < - 0 0 49 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.830 53.7 -94.6-109.9 150.0 86.5 -6.9 20.7 29 29 A P >> - 0 0 34 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.198 42.5-101.9 -59.1 152.0 86.3 -10.6 21.8 30 30 A P H 3> S+ 0 0 53 0, 0.0 4,-4.4 0, 0.0 5,-0.4 0.799 118.2 67.9 -45.2 -33.9 84.1 -11.4 24.9 31 31 A V H 3> S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 103.6 40.7 -57.8 -50.0 87.3 -11.7 26.9 32 32 A V H <> S+ 0 0 4 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.969 122.2 41.3 -65.6 -48.7 88.2 -8.1 26.7 33 33 A A H X S+ 0 0 2 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.935 116.5 49.0 -65.4 -43.1 84.5 -6.9 27.1 34 34 A K H X S+ 0 0 78 -4,-4.4 4,-2.0 -5,-0.3 -1,-0.2 0.886 104.0 60.7 -65.8 -34.3 83.9 -9.5 29.9 35 35 A E H X S+ 0 0 9 -4,-2.3 4,-1.4 -5,-0.4 -1,-0.2 0.930 100.3 55.1 -60.1 -40.0 87.1 -8.5 31.7 36 36 A I H X S+ 0 0 7 -4,-1.5 4,-1.4 1,-0.2 3,-0.5 0.929 105.4 52.1 -60.1 -40.0 85.7 -5.0 32.1 37 37 A V H < S+ 0 0 32 -4,-1.3 3,-0.4 1,-0.2 7,-0.3 0.926 105.3 55.9 -61.8 -40.0 82.6 -6.4 33.8 38 38 A A H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 106.0 50.9 -62.8 -27.4 84.9 -8.3 36.2 39 39 A S H < S+ 0 0 60 -4,-1.4 2,-1.0 -3,-0.5 -1,-0.2 0.781 95.1 80.9 -81.5 -23.0 86.5 -5.0 37.1 40 40 A C X - 0 0 19 -4,-1.4 4,-2.5 -3,-0.4 3,-0.2 -0.688 63.5-168.3 -84.6 103.0 83.0 -3.5 37.8 41 41 A D H > S+ 0 0 110 -2,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.834 86.3 58.1 -60.4 -30.3 82.1 -4.8 41.3 42 42 A K H 4 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.922 114.7 33.8 -68.8 -41.8 78.5 -3.5 40.7 43 43 A C H 4 S+ 0 0 38 -3,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.751 121.5 50.6 -85.6 -22.8 78.0 -5.7 37.5 44 44 A Q H < S+ 0 0 48 -4,-2.5 2,-1.1 -7,-0.3 -3,-0.2 0.969 111.6 41.2 -78.4 -70.9 80.1 -8.6 38.8 45 45 A L S < S+ 0 0 101 -4,-1.1 -1,-0.3 -5,-0.2 -7,-0.0 -0.636 70.6 162.2 -78.9 103.3 78.7 -9.2 42.3 46 46 A K 0 0 195 -2,-1.1 -1,-0.2 -3,-0.2 -4,-0.1 0.272 360.0 360.0-106.9 8.2 75.0 -8.8 41.4 47 47 A G 0 0 125 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.260 360.0 360.0 149.8 360.0 73.5 -10.6 44.5 48 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 1 B F > 0 0 99 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -66.4 92.9 -14.0 22.6 50 2 B L H > + 0 0 105 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.853 360.0 57.3 -72.3 -33.5 91.0 -17.3 22.7 51 3 B D H > S+ 0 0 146 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.991 112.5 36.7 -62.9 -60.1 94.0 -19.3 21.4 52 4 B G H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.932 117.4 53.4 -60.0 -43.8 96.5 -18.3 24.2 53 5 B I H X S+ 0 0 13 -4,-1.6 4,-4.3 1,-0.2 5,-0.3 0.905 99.9 61.5 -60.0 -40.0 93.7 -18.3 26.8 54 6 B D H X S+ 0 0 114 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.955 112.8 37.6 -54.0 -46.0 92.7 -21.9 25.9 55 7 B K H X S+ 0 0 150 -4,-1.4 4,-1.7 2,-0.2 3,-0.3 0.965 119.5 46.8 -68.7 -51.3 96.2 -23.0 26.9 56 8 B A H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.872 105.6 61.7 -60.5 -34.1 96.4 -20.7 29.9 57 9 B Q H X S+ 0 0 92 -4,-4.3 4,-2.3 -5,-0.3 -1,-0.2 0.939 102.2 50.6 -60.0 -42.6 92.9 -21.7 30.9 58 10 B E H X S+ 0 0 123 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.934 108.4 52.1 -62.0 -41.3 94.1 -25.3 31.4 59 11 B E H X S+ 0 0 53 -4,-1.7 4,-1.7 1,-0.2 6,-0.4 0.927 108.1 52.9 -61.3 -40.1 97.1 -24.1 33.5 60 12 B H H X S+ 0 0 6 -4,-2.4 4,-4.0 1,-0.2 3,-0.2 0.956 109.0 48.0 -60.3 -49.1 94.6 -22.2 35.7 61 13 B E H < S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 108.3 55.8 -60.0 -40.6 92.4 -25.3 36.2 62 14 B K H < S- 0 0 116 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 135.7 -0.5 -61.3 -40.0 95.5 -27.4 37.1 63 15 B Y H < S- 0 0 140 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.385 83.5-126.8-131.5 -0.7 96.7 -25.0 40.0 64 16 B H < - 0 0 72 -4,-4.0 -4,-0.2 -5,-0.4 -3,-0.1 0.935 45.5-170.6 51.6 40.7 94.1 -22.1 40.1 65 17 B S - 0 0 21 -6,-0.4 -1,-0.1 -5,-0.2 -2,-0.1 -0.216 24.8 -99.0 -62.5 156.2 97.2 -19.9 39.8 66 18 B N >> - 0 0 118 1,-0.1 4,-1.9 -3,-0.1 3,-0.5 -0.322 34.7-104.9 -73.5 160.0 96.7 -16.2 40.3 67 19 B W H 3> S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.822 119.7 62.6 -57.8 -27.5 96.4 -13.9 37.2 68 20 B R H 3> S+ 0 0 178 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 104.4 45.4 -64.5 -45.1 100.0 -12.7 37.8 69 21 B A H <> S+ 0 0 44 -3,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.953 115.2 46.7 -64.3 -46.8 101.4 -16.2 37.3 70 22 B M H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 6,-0.3 0.928 110.9 53.2 -61.9 -41.3 99.4 -16.8 34.2 71 23 B A H X>S+ 0 0 12 -4,-2.7 5,-1.3 -5,-0.2 4,-1.0 0.937 114.0 41.7 -59.9 -44.3 100.3 -13.4 32.9 72 24 B S H <5S+ 0 0 90 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.886 111.0 57.0 -71.6 -37.0 104.1 -14.2 33.4 73 25 B D H <5S+ 0 0 99 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.945 127.4 18.1 -60.0 -46.9 103.6 -17.8 32.0 74 26 B F H <5S- 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.379 101.8-125.5-106.0 3.7 102.2 -16.5 28.7 75 27 B N T <5 + 0 0 140 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.2 0.933 58.8 149.4 54.5 45.3 103.5 -12.9 29.0 76 28 B L < - 0 0 51 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.830 53.7 -94.6-109.8 150.0 99.9 -11.5 28.5 77 29 B P >> - 0 0 35 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.198 42.5-101.9 -59.1 152.0 98.6 -8.3 30.0 78 30 B P H 3> S+ 0 0 52 0, 0.0 4,-4.4 0, 0.0 5,-0.4 0.800 118.2 67.9 -45.2 -33.9 96.6 -8.6 33.3 79 31 B V H 3> S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 103.6 40.7 -57.7 -50.1 93.4 -8.2 31.4 80 32 B V H <> S+ 0 0 3 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.969 122.2 41.4 -65.5 -48.8 93.8 -11.6 29.6 81 33 B A H X S+ 0 0 3 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.935 116.5 49.0 -65.3 -43.2 95.1 -13.3 32.8 82 34 B K H X S+ 0 0 80 -4,-4.4 4,-2.0 -5,-0.3 -1,-0.2 0.885 104.0 60.7 -65.9 -34.1 92.6 -11.6 35.1 83 35 B E H X S+ 0 0 10 -4,-2.3 4,-1.4 -5,-0.4 -1,-0.2 0.930 100.3 55.1 -60.3 -40.0 89.7 -12.5 32.7 84 36 B I H X S+ 0 0 8 -4,-1.5 4,-1.4 1,-0.2 3,-0.5 0.930 105.5 52.1 -60.0 -40.0 90.4 -16.2 33.3 85 37 B V H < S+ 0 0 32 -4,-1.3 3,-0.4 1,-0.2 7,-0.3 0.927 105.3 56.0 -61.8 -39.9 90.1 -15.7 37.0 86 38 B A H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 106.0 50.8 -62.8 -27.5 86.7 -14.0 36.4 87 39 B S H < S+ 0 0 59 -4,-1.4 2,-1.0 -3,-0.5 -1,-0.2 0.781 95.1 80.9 -81.4 -23.0 85.6 -17.2 34.6 88 40 B C X - 0 0 17 -4,-1.4 4,-2.5 -3,-0.4 3,-0.2 -0.688 63.5-168.3 -84.7 103.0 86.8 -19.3 37.5 89 41 B D H > S+ 0 0 112 -2,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.834 86.3 58.1 -60.4 -30.2 83.9 -19.1 40.0 90 42 B K H 4 S+ 0 0 159 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.922 114.7 33.8 -68.7 -41.9 86.2 -20.6 42.7 91 43 B C H 4 S+ 0 0 39 -3,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.751 121.5 50.7 -85.5 -22.8 88.9 -17.9 42.4 92 44 B Q H < S+ 0 0 48 -4,-2.5 2,-1.1 -7,-0.3 -3,-0.2 0.969 111.6 41.1 -78.4 -71.0 86.3 -15.1 41.7 93 45 B L S < S+ 0 0 101 -4,-1.1 -1,-0.3 -5,-0.2 -7,-0.0 -0.638 70.6 162.3 -78.8 104.6 83.8 -15.6 44.5 94 46 B K 0 0 194 -2,-1.1 -1,-0.2 -3,-0.2 -4,-0.1 0.269 360.0 360.0-108.0 8.3 86.2 -16.3 47.3 95 47 B G 0 0 129 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 -0.261 360.0 360.0 149.7 360.0 83.9 -15.6 50.3