==== 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 1WJA . 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 . 92 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 63.0 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 . 6 6.5 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 . 46 50.0 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 4 0 0 2 2 0 2 0 0 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 0 107 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -88.9 94.3 -4.2 25.4 2 2 A L H > + 0 0 110 1,-0.2 4,-2.1 2,-0.2 0, 0.0 0.908 360.0 53.6 -59.9 -40.7 94.6 -1.6 28.2 3 3 A D H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.959 107.2 49.8 -60.2 -49.6 93.9 1.2 25.7 4 4 A G H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 110.8 51.2 -58.5 -38.3 90.6 -0.4 24.5 5 5 A I H X S+ 0 0 22 -4,-1.9 4,-3.5 2,-0.2 -1,-0.2 0.903 102.7 59.3 -66.7 -40.2 89.5 -0.8 28.1 6 6 A D H < S+ 0 0 118 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.960 114.4 35.6 -56.4 -48.8 90.2 2.8 28.9 7 7 A K H < S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.936 120.2 48.3 -70.1 -44.9 87.7 4.0 26.3 8 8 A A H < S+ 0 0 8 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.854 93.5 94.5 -64.8 -31.6 85.3 1.1 26.8 9 9 A Q < + 0 0 118 -4,-3.5 2,-0.3 -5,-0.2 3,-0.0 -0.342 54.9 137.8 -61.0 139.0 85.5 1.8 30.6 10 10 A E - 0 0 121 3,-0.0 -2,-0.0 1,-0.0 -3,-0.0 -0.953 54.5 -49.5-165.6-177.0 82.7 4.1 31.7 11 11 A E - 0 0 151 -2,-0.3 2,-3.3 1,-0.2 5,-0.2 -0.229 68.8 -91.2 -63.7 157.9 80.1 4.6 34.4 12 12 A H S S+ 0 0 92 3,-0.1 -1,-0.2 4,-0.1 2,-0.0 -0.346 76.5 148.3 -70.0 71.8 77.9 1.7 35.4 13 13 A E >> - 0 0 96 -2,-3.3 4,-0.8 1,-0.0 3,-0.5 -0.112 68.4 -80.2 -92.2-165.5 75.3 2.5 32.8 14 14 A K H 3> S+ 0 0 175 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.815 125.1 69.6 -69.4 -28.3 73.0 0.1 30.9 15 15 A Y H 34 S+ 0 0 128 1,-0.2 7,-0.3 2,-0.2 -1,-0.2 0.901 92.9 58.9 -59.1 -34.7 75.8 -0.6 28.5 16 16 A H H <4 S+ 0 0 16 -3,-0.5 -1,-0.2 -5,-0.2 3,-0.2 0.928 102.2 52.5 -61.0 -41.3 77.5 -2.4 31.4 17 17 A S H < S+ 0 0 77 -4,-0.8 2,-1.1 -3,-0.3 -1,-0.2 0.934 111.6 48.9 -61.5 -40.6 74.5 -4.8 31.7 18 18 A N X + 0 0 102 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 -0.731 65.9 169.4-100.5 88.1 74.8 -5.6 27.9 19 19 A W H > S+ 0 0 64 -2,-1.1 4,-2.1 -3,-0.2 5,-0.2 0.767 71.7 67.5 -70.3 -23.0 78.5 -6.4 27.5 20 20 A R H > S+ 0 0 179 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.931 94.0 55.4 -63.7 -44.3 77.9 -7.6 24.0 21 21 A A H > S+ 0 0 39 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.922 108.3 49.9 -57.2 -39.7 77.0 -4.2 22.7 22 22 A M H X S+ 0 0 16 -4,-0.9 4,-2.2 -7,-0.3 5,-0.3 0.940 110.8 48.1 -65.9 -43.2 80.3 -3.0 23.9 23 23 A A H X>S+ 0 0 13 -4,-2.1 5,-1.8 1,-0.2 4,-0.9 0.927 114.7 46.6 -63.2 -40.6 82.2 -5.9 22.2 24 24 A S H <5S+ 0 0 89 -4,-3.1 -2,-0.2 3,-0.2 -1,-0.2 0.905 109.8 54.1 -67.7 -39.9 80.2 -5.2 19.0 25 25 A D H <5S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.927 123.9 26.0 -61.3 -44.9 80.9 -1.4 19.3 26 26 A F H <5S- 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.430 104.4-128.0 -99.5 1.1 84.7 -2.0 19.5 27 27 A N T <5 + 0 0 135 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.934 59.3 143.9 53.4 48.1 84.6 -5.3 17.6 28 28 A L < - 0 0 56 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.873 55.8 -99.9-116.2 150.8 86.6 -7.0 20.4 29 29 A P >> - 0 0 35 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.311 42.1 -99.7 -67.0 151.4 86.0 -10.6 21.6 30 30 A P H 3> S+ 0 0 54 0, 0.0 4,-4.1 0, 0.0 5,-0.3 0.733 115.1 79.6 -43.3 -23.3 84.0 -11.2 24.8 31 31 A V H 3> S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 97.3 37.3 -55.1 -54.7 87.3 -11.5 26.6 32 32 A V H <> S+ 0 0 5 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.951 120.5 47.6 -65.8 -44.7 88.0 -7.8 26.8 33 33 A A H X S+ 0 0 3 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.927 112.3 49.9 -62.1 -42.3 84.3 -7.0 27.5 34 34 A K H X S+ 0 0 92 -4,-4.1 4,-2.5 -5,-0.2 -1,-0.2 0.912 106.0 56.0 -64.4 -39.7 84.1 -9.7 30.1 35 35 A E H X S+ 0 0 13 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.922 106.0 51.1 -60.8 -40.1 87.2 -8.4 31.9 36 36 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.932 109.4 50.6 -63.6 -40.8 85.6 -5.0 32.2 37 37 A V H < S+ 0 0 37 -4,-1.8 7,-0.3 1,-0.2 -1,-0.2 0.915 110.0 50.4 -63.0 -39.6 82.5 -6.6 33.7 38 38 A A H < S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 109.3 51.1 -68.2 -31.4 84.8 -8.5 36.2 39 39 A S H < S+ 0 0 67 -4,-1.9 2,-0.7 -5,-0.2 -2,-0.2 0.891 94.6 77.9 -75.7 -35.6 86.5 -5.2 37.2 40 40 A C S X S- 0 0 29 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 -0.604 71.2-158.2 -75.1 112.8 83.2 -3.4 37.9 41 41 A D H > S+ 0 0 104 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.900 89.8 56.0 -60.0 -40.3 82.2 -4.8 41.3 42 42 A K H 4 S+ 0 0 156 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.916 111.2 42.6 -61.5 -40.9 78.5 -3.8 40.6 43 43 A C H 4 S+ 0 0 33 -6,-0.1 -1,-0.2 -7,-0.1 -2,-0.2 0.871 122.9 40.7 -74.3 -33.6 78.4 -5.9 37.4 44 44 A Q H < S+ 0 0 50 -4,-2.3 -2,-0.2 -7,-0.3 -3,-0.2 0.968 114.2 46.2 -77.4 -75.2 80.3 -8.7 39.1 45 45 A L < 0 0 94 -4,-1.6 -1,-0.1 -5,-0.2 47,-0.0 -0.462 360.0 360.0 -70.9 137.6 78.8 -9.0 42.6 46 46 A K 0 0 251 -2,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 0.774 360.0 360.0 -93.8 360.0 75.1 -8.8 42.4 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 0 103 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -88.9 92.7 -14.0 22.8 49 2 B L H > + 0 0 113 1,-0.2 4,-2.1 2,-0.2 0, 0.0 0.908 360.0 53.7 -60.4 -39.6 90.5 -17.2 23.0 50 3 B D H > S+ 0 0 138 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.958 107.2 49.8 -60.7 -50.0 93.5 -19.4 22.0 51 4 B G H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 110.8 51.2 -58.1 -38.3 95.7 -18.1 24.8 52 5 B I H X S+ 0 0 22 -4,-1.9 4,-3.5 2,-0.2 -1,-0.2 0.903 102.7 59.3 -66.8 -40.3 92.9 -18.7 27.3 53 6 B D H < S+ 0 0 115 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.960 114.4 35.7 -56.4 -48.8 92.5 -22.2 26.2 54 7 B K H < S+ 0 0 167 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.936 120.2 48.2 -69.9 -45.0 96.1 -23.1 27.0 55 8 B A H < S+ 0 0 7 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.854 93.5 94.5 -64.9 -31.5 96.2 -20.9 30.0 56 9 B Q < + 0 0 116 -4,-3.5 2,-0.3 -5,-0.2 3,-0.0 -0.343 54.9 137.8 -61.0 139.0 92.9 -22.4 31.2 57 10 B E - 0 0 121 3,-0.0 -2,-0.0 1,-0.0 -3,-0.0 -0.953 54.5 -49.4-165.7-177.0 93.5 -25.2 33.6 58 11 B E - 0 0 149 -2,-0.3 2,-3.3 1,-0.2 5,-0.2 -0.230 68.8 -91.2 -63.6 158.0 92.3 -26.8 36.9 59 12 B H S S+ 0 0 93 3,-0.1 -1,-0.2 4,-0.1 2,-0.0 -0.346 76.5 148.4 -70.0 71.7 91.9 -24.5 39.8 60 13 B E >> - 0 0 96 -2,-3.3 4,-0.8 1,-0.0 3,-0.5 -0.117 68.4 -80.2 -92.0-165.0 95.5 -25.1 41.0 61 14 B K H 3> S+ 0 0 175 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.816 125.1 69.6 -70.1 -27.9 97.8 -22.7 42.8 62 15 B Y H 34 S+ 0 0 132 1,-0.2 7,-0.3 2,-0.2 -1,-0.2 0.900 92.9 58.9 -59.4 -34.6 98.6 -21.0 39.5 63 16 B H H <4 S+ 0 0 17 -3,-0.5 -1,-0.2 -5,-0.2 3,-0.2 0.929 102.2 52.5 -61.0 -41.4 95.0 -19.7 39.6 64 17 B S H < S+ 0 0 76 -4,-0.8 2,-1.1 -3,-0.3 -1,-0.2 0.934 111.6 48.9 -61.4 -40.9 95.7 -18.0 42.9 65 18 B N X + 0 0 104 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 -0.733 65.9 169.4-100.2 87.8 98.8 -16.3 41.4 66 19 B W H > S+ 0 0 65 -2,-1.1 4,-2.1 -3,-0.2 5,-0.2 0.765 71.7 67.5 -69.8 -23.3 97.5 -14.8 38.1 67 20 B R H > S+ 0 0 181 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.931 94.0 55.4 -63.4 -44.6 100.7 -12.9 37.6 68 21 B A H > S+ 0 0 38 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.922 108.3 49.9 -57.2 -39.7 102.7 -16.0 37.1 69 22 B M H X S+ 0 0 16 -4,-0.9 4,-2.2 -7,-0.3 5,-0.3 0.940 110.8 48.2 -65.8 -43.2 100.3 -17.0 34.3 70 23 B A H X>S+ 0 0 12 -4,-2.1 5,-1.8 1,-0.2 4,-0.9 0.927 114.7 46.6 -63.3 -40.6 100.6 -13.5 32.7 71 24 B S H <5S+ 0 0 84 -4,-3.1 -2,-0.2 3,-0.2 -1,-0.2 0.905 109.8 54.1 -67.7 -39.9 104.4 -13.7 32.9 72 25 B D H <5S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.927 123.9 25.9 -61.2 -45.0 104.5 -17.3 31.6 73 26 B F H <5S- 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.428 104.4-128.0 -99.5 1.1 102.5 -16.3 28.4 74 27 B N T <5 + 0 0 134 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.935 59.3 143.9 53.4 48.0 103.7 -12.7 28.6 75 28 B L < - 0 0 53 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.873 55.8 -99.8-116.3 150.7 100.1 -11.3 28.4 76 29 B P >> - 0 0 35 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.312 42.1 -99.7 -66.8 151.4 98.7 -8.2 30.1 77 30 B P H 3> S+ 0 0 54 0, 0.0 4,-4.1 0, 0.0 5,-0.3 0.732 115.0 79.6 -43.5 -23.2 96.7 -8.8 33.4 78 31 B V H 3> S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 97.3 37.3 -55.1 -54.6 93.6 -8.4 31.2 79 32 B V H <> S+ 0 0 5 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.951 120.5 47.6 -65.9 -44.6 93.7 -11.9 29.8 80 33 B A H X S+ 0 0 3 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.928 112.4 50.0 -62.2 -42.1 94.9 -13.4 33.1 81 34 B K H X S+ 0 0 93 -4,-4.1 4,-2.5 -5,-0.2 -1,-0.2 0.911 106.0 55.9 -64.1 -40.3 92.2 -11.4 35.0 82 35 B E H X S+ 0 0 13 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.922 106.0 51.1 -60.5 -40.4 89.5 -12.6 32.6 83 36 B I H X S+ 0 0 8 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.932 109.5 50.6 -63.4 -40.9 90.4 -16.2 33.4 84 37 B V H < S+ 0 0 38 -4,-1.8 7,-0.3 1,-0.2 -1,-0.2 0.915 110.0 50.4 -62.8 -39.7 90.1 -15.5 37.1 85 38 B A H < S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.3 51.1 -68.2 -31.4 86.7 -13.9 36.5 86 39 B S H < S+ 0 0 67 -4,-1.9 2,-0.7 -5,-0.2 -2,-0.2 0.891 94.6 77.8 -75.7 -35.6 85.5 -17.0 34.6 87 40 B C S X S- 0 0 30 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 -0.604 71.2-158.2 -75.2 112.5 86.6 -19.4 37.3 88 41 B D H > S+ 0 0 109 -2,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.902 89.7 56.0 -59.9 -39.7 83.9 -19.1 39.9 89 42 B K H 4 S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.916 111.3 42.6 -61.9 -40.8 86.2 -20.4 42.7 90 43 B C H 4 S+ 0 0 33 -6,-0.1 -1,-0.2 -7,-0.1 -2,-0.2 0.872 122.8 40.7 -74.2 -33.7 88.8 -17.7 42.0 91 44 B Q H < S+ 0 0 48 -4,-2.3 -2,-0.2 -7,-0.3 -3,-0.2 0.966 114.2 46.2 -77.3 -75.9 86.1 -15.0 41.7 92 45 B L < 0 0 95 -4,-1.5 -1,-0.1 -5,-0.2 -47,-0.0 -0.449 360.0 360.0 -69.9 138.2 83.6 -15.8 44.4 93 46 B K 0 0 254 -2,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 0.772 360.0 360.0 -94.5 360.0 85.4 -16.5 47.7