==== 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 11-JUN-98 1WJE . COMPND 2 MOLECULE: HIV-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.CAI,A.M.GRONENBORN,G.M.CLORE . 92 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 71.7 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 . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 2 0 0 0 2 0 2 0 2 0 0 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 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 93.8 95.0 -3.9 25.1 2 2 A L > - 0 0 100 1,-0.1 3,-2.0 24,-0.0 4,-0.3 -0.797 360.0-132.1-104.3 145.4 94.0 -0.3 24.4 3 3 A D T >> S+ 0 0 159 -2,-0.3 3,-3.0 1,-0.3 4,-0.7 0.924 104.5 75.6 -60.0 -39.2 94.3 2.6 26.9 4 4 A G H 3> S+ 0 0 31 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.740 77.2 80.9 -46.3 -15.6 90.8 3.6 25.9 5 5 A I H <> S+ 0 0 16 -3,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.924 85.6 54.6 -60.1 -40.0 90.0 0.6 28.1 6 6 A D H <> S+ 0 0 115 -3,-3.0 4,-1.1 -4,-0.3 -1,-0.2 0.921 106.2 52.9 -59.3 -39.7 90.4 2.9 31.2 7 7 A K H X S+ 0 0 118 -4,-0.7 4,-1.3 1,-0.2 3,-0.3 0.899 103.0 57.4 -62.8 -40.0 87.8 5.1 29.5 8 8 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.873 98.4 60.4 -61.5 -35.5 85.4 2.1 29.1 9 9 A Q H >< S+ 0 0 87 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.922 101.5 54.1 -60.0 -40.0 85.5 1.5 32.9 10 10 A E H 3< S+ 0 0 162 -4,-1.1 3,-0.4 -3,-0.3 -1,-0.2 0.900 116.9 36.0 -61.4 -40.0 84.1 5.0 33.5 11 11 A E H >X S+ 0 0 68 -4,-1.3 4,-1.8 1,-0.2 3,-0.8 0.377 85.0 105.9 -95.9 6.6 81.1 4.3 31.1 12 12 A C H < S- 0 0 36 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.644 92.9-172.0 -85.5 -12.1 76.6 -0.2 29.1 16 16 A H T 3< - 0 0 120 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.304 67.2 -21.6 57.7-134.7 75.4 -2.0 32.3 17 17 A S T 3 S+ 0 0 83 1,-0.1 2,-2.2 -4,-0.1 3,-0.3 0.510 113.9 102.8 -84.7 -3.9 75.7 -5.8 31.9 18 18 A N <> + 0 0 108 -3,-2.0 4,-1.2 1,-0.2 3,-0.3 -0.470 36.4 157.7 -80.3 76.5 75.6 -5.4 28.1 19 19 A W H > + 0 0 60 -2,-2.2 4,-2.8 1,-0.2 5,-0.2 0.812 66.3 68.3 -70.0 -26.6 79.4 -5.9 27.5 20 20 A R H > S+ 0 0 184 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.917 98.8 49.1 -60.1 -41.0 78.7 -6.9 23.9 21 21 A A H > S+ 0 0 45 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.937 111.3 49.6 -66.0 -42.0 77.6 -3.3 23.1 22 22 A M H X S+ 0 0 4 -4,-1.2 4,-2.6 1,-0.2 5,-0.3 0.946 108.4 52.8 -62.3 -44.6 80.7 -1.9 24.7 23 23 A A H X>S+ 0 0 13 -4,-2.8 5,-1.4 1,-0.2 4,-1.1 0.914 108.8 51.4 -57.5 -39.8 82.9 -4.4 22.7 24 24 A S H <5S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.894 109.8 48.9 -66.2 -38.0 81.2 -3.1 19.6 25 25 A D H <5S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 124.1 30.0 -70.0 -41.9 82.0 0.5 20.4 26 26 A F H <5S- 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.473 103.3-131.4 -95.4 -0.2 85.7 -0.1 21.2 27 27 A N T <5 + 0 0 135 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.926 55.3 146.8 53.2 47.2 85.9 -3.0 18.7 28 28 A L < - 0 0 22 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.860 51.8-106.1-113.5 150.7 87.6 -5.3 21.3 29 29 A P >> - 0 0 47 0, 0.0 3,-1.5 0, 0.0 4,-1.4 -0.332 42.1 -96.5 -70.3 154.0 87.2 -9.1 21.6 30 30 A P H 3> S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.709 117.3 75.6 -43.4 -23.5 85.1 -10.5 24.5 31 31 A V H 3> S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.963 104.1 32.0 -60.0 -50.7 88.3 -11.0 26.5 32 32 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.911 118.9 53.1 -75.5 -40.4 88.7 -7.3 27.3 33 33 A A H X S+ 0 0 2 -4,-1.4 4,-1.8 1,-0.2 5,-0.2 0.974 113.6 42.9 -60.0 -50.3 85.0 -6.5 27.5 34 34 A K H X S+ 0 0 88 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.912 111.0 56.9 -61.7 -39.6 84.4 -9.3 30.0 35 35 A E H X S+ 0 0 13 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.917 103.7 53.1 -60.0 -40.1 87.6 -8.3 31.9 36 36 A I H >X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 3,-0.9 0.940 111.0 46.2 -62.2 -42.1 86.2 -4.8 32.4 37 37 A V H 3< S+ 0 0 27 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.917 106.5 59.6 -65.1 -40.0 83.0 -6.3 33.9 38 38 A A H 3< S+ 0 0 16 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.693 108.4 45.8 -62.4 -16.5 85.2 -8.6 36.0 39 39 A S H << S+ 0 0 46 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.830 92.0 87.2 -95.9 -37.5 86.8 -5.4 37.5 40 40 A C S X S- 0 0 34 -4,-2.0 4,-0.6 -5,-0.2 -31,-0.0 -0.381 70.2-150.5 -60.0 131.3 83.6 -3.5 38.1 41 41 A D H > S+ 0 0 128 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.819 91.7 50.7 -77.6 -29.1 82.4 -4.6 41.6 42 42 A K H 4 S+ 0 0 161 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.920 113.9 41.5 -76.4 -42.1 78.7 -4.0 40.8 43 43 A C H 4 S+ 0 0 33 1,-0.1 -1,-0.2 -6,-0.1 -2,-0.2 0.641 109.2 65.5 -80.0 -10.0 78.6 -6.0 37.5 44 44 A Q H < S+ 0 0 53 -4,-0.6 2,-0.2 -5,-0.1 -2,-0.2 0.989 103.0 39.7 -73.5 -66.5 80.8 -8.7 39.1 45 45 A L < 0 0 107 -4,-1.3 -1,-0.1 1,-0.1 47,-0.0 -0.577 360.0 360.0 -82.6 146.3 78.4 -10.0 41.8 46 46 A K 0 0 257 -2,-0.2 -3,-0.1 -3,-0.0 -1,-0.1 -0.514 360.0 360.0 -75.8 360.0 74.7 -10.4 40.9 47 !* 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 48 1 B F 0 0 102 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 93.8 95.1 -12.8 23.0 49 2 B L > - 0 0 100 1,-0.1 3,-2.0 24,-0.0 4,-0.3 -0.797 360.0-132.1-104.3 145.4 96.8 -16.1 22.6 50 3 B D T >> S+ 0 0 156 -2,-0.3 3,-3.0 1,-0.3 4,-0.7 0.924 104.5 75.6 -60.0 -39.2 95.2 -19.5 22.0 51 4 B G H 3> S+ 0 0 31 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.739 77.2 80.9 -46.2 -15.7 97.4 -20.9 24.8 52 5 B I H <> S+ 0 0 17 -3,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.924 85.6 54.6 -60.0 -40.0 94.8 -19.0 26.9 53 6 B D H <> S+ 0 0 116 -3,-3.0 4,-1.1 -4,-0.3 -1,-0.2 0.920 106.2 52.9 -59.2 -39.7 92.4 -21.9 26.5 54 7 B K H X S+ 0 0 117 -4,-0.7 4,-1.3 1,-0.2 3,-0.3 0.899 103.0 57.4 -62.7 -40.0 95.2 -24.1 27.9 55 8 B A H X S+ 0 0 1 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.873 98.4 60.4 -61.5 -35.4 95.5 -21.8 30.9 56 9 B Q H >< S+ 0 0 87 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.921 101.5 54.1 -60.1 -40.0 91.8 -22.4 31.8 57 10 B E H 3< S+ 0 0 158 -4,-1.1 3,-0.4 -3,-0.3 -1,-0.2 0.899 116.9 36.1 -61.4 -39.9 92.6 -26.1 32.2 58 11 B E H >X S+ 0 0 67 -4,-1.3 4,-1.8 1,-0.2 3,-0.8 0.377 85.0 105.9 -95.9 6.6 95.4 -25.4 34.7 59 12 B C H < S- 0 0 36 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.644 92.9-172.0 -85.5 -12.2 97.4 -21.7 39.8 63 16 B H T 3< - 0 0 121 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.303 67.2 -21.7 57.8-134.7 94.4 -21.2 42.1 64 17 B S T 3 S+ 0 0 84 1,-0.1 2,-2.2 -4,-0.1 3,-0.3 0.510 113.9 102.8 -84.6 -3.9 93.8 -17.6 42.9 65 18 B N <> + 0 0 109 -3,-2.0 4,-1.2 1,-0.2 3,-0.3 -0.469 36.4 157.7 -80.3 76.5 97.5 -16.8 42.0 66 19 B W H > + 0 0 59 -2,-2.2 4,-2.8 1,-0.2 5,-0.2 0.813 66.3 68.3 -70.0 -26.6 96.8 -15.3 38.6 67 20 B R H > S+ 0 0 179 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.917 98.8 49.1 -60.0 -41.0 100.1 -13.4 38.8 68 21 B A H > S+ 0 0 46 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.937 111.3 49.6 -66.0 -42.0 102.1 -16.7 38.5 69 22 B M H X S+ 0 0 4 -4,-1.2 4,-2.6 1,-0.2 5,-0.3 0.946 108.4 52.8 -62.3 -44.5 100.0 -17.8 35.5 70 23 B A H X>S+ 0 0 13 -4,-2.8 5,-1.4 1,-0.2 4,-1.1 0.915 108.8 51.4 -57.7 -39.7 100.6 -14.4 33.8 71 24 B S H <5S+ 0 0 86 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.893 109.8 48.9 -66.2 -38.0 104.3 -14.9 34.4 72 25 B D H <5S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 124.1 30.0 -70.0 -41.9 104.2 -18.4 32.8 73 26 B F H <5S- 0 0 50 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.473 103.3-131.4 -95.5 -0.2 102.3 -17.2 29.7 74 27 B N T <5 + 0 0 138 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.926 55.3 146.8 53.2 47.1 103.8 -13.8 29.8 75 28 B L < - 0 0 22 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.860 51.8-106.2-113.4 150.7 100.4 -12.0 29.5 76 29 B P >> - 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-1.4 -0.332 42.1 -96.5 -70.3 154.0 99.3 -8.7 31.1 77 30 B P H 3> S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.710 117.3 75.6 -43.4 -23.4 96.8 -8.8 34.0 78 31 B V H 3> S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.964 104.1 32.0 -60.0 -50.7 94.0 -8.2 31.5 79 32 B V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.911 118.9 53.2 -75.5 -40.4 94.0 -11.8 30.2 80 33 B A H X S+ 0 0 2 -4,-1.4 4,-1.8 1,-0.2 5,-0.2 0.974 113.6 42.9 -59.9 -50.3 95.0 -13.4 33.5 81 34 B K H X S+ 0 0 86 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.912 110.9 56.9 -61.7 -39.6 92.2 -11.7 35.4 82 35 B E H X S+ 0 0 13 -4,-1.6 4,-0.8 -5,-0.4 -1,-0.2 0.918 103.7 53.1 -60.0 -40.0 89.8 -12.5 32.5 83 36 B I H >X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 3,-0.9 0.940 111.0 46.2 -62.2 -42.0 90.6 -16.2 32.9 84 37 B V H 3< S+ 0 0 28 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.917 106.5 59.6 -65.2 -40.0 89.8 -16.0 36.6 85 38 B A H 3< S+ 0 0 18 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.700 108.4 45.8 -62.2 -17.1 86.6 -14.1 35.7 86 39 B S H << S+ 0 0 47 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.833 92.0 87.3 -95.4 -37.4 85.5 -17.1 33.6 87 40 B C S X S- 0 0 34 -4,-2.0 4,-0.6 -5,-0.2 -31,-0.0 -0.381 70.2-150.5 -60.0 131.3 86.3 -19.8 36.1 88 41 B D H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.818 91.7 50.6 -77.5 -29.2 83.2 -20.1 38.3 89 42 B K H 4 S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.920 114.0 41.4 -76.4 -42.1 85.1 -21.2 41.4 90 43 B C H 4 S+ 0 0 33 1,-0.1 -1,-0.2 -6,-0.1 -2,-0.2 0.642 109.2 65.5 -80.0 -10.0 87.7 -18.4 41.4 91 44 B Q H < S+ 0 0 51 -4,-0.6 2,-0.2 -5,-0.1 -2,-0.2 0.989 103.1 39.7 -73.5 -66.4 84.9 -15.9 40.5 92 45 B L < 0 0 105 -4,-1.3 -1,-0.1 1,-0.1 -47,-0.0 -0.577 360.0 360.0 -82.6 146.3 82.8 -16.1 43.7 93 46 B K 0 0 257 -2,-0.2 -3,-0.1 -3,-0.0 -1,-0.1 -0.514 360.0 360.0 -75.9 360.0 84.6 -16.3 47.0