==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PEPTIDE 23-OCT-97 1DSJ . COMPND 2 MOLECULE: VPR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.YAO,A.M.TORRES,A.A.AZAD,I.G.MACREADIE,R.S.NORTON . 26 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 88.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.8 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 0 0 0 0 1 0 1 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 50 A Y 0 0 292 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.6 3.2 4.4 3.0 2 51 A G + 0 0 52 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.375 360.0 94.5 156.1 23.6 3.4 0.8 1.7 3 52 A D > + 0 0 138 1,-0.1 3,-1.9 2,-0.1 4,-0.2 0.596 65.6 76.4-108.6 -15.0 3.8 -1.5 4.7 4 53 A T T >> S+ 0 0 109 1,-0.3 3,-1.9 2,-0.2 4,-1.1 0.646 73.9 85.6 -71.4 -8.4 0.1 -2.4 5.4 5 54 A W H 3> + 0 0 162 1,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.722 69.5 77.3 -63.5 -18.5 0.4 -4.7 2.5 6 55 A A H <> S+ 0 0 65 -3,-1.9 4,-0.7 1,-0.2 -1,-0.3 0.840 94.9 49.2 -60.1 -28.7 1.8 -7.2 5.0 7 56 A G H X> S+ 0 0 39 -3,-1.9 3,-1.4 2,-0.2 4,-1.1 0.962 109.4 50.3 -72.5 -51.4 -1.8 -7.7 6.0 8 57 A V H >X S+ 0 0 54 -4,-1.1 4,-2.6 1,-0.3 3,-1.2 0.918 105.0 58.5 -50.6 -47.4 -2.9 -8.1 2.4 9 58 A E H 3X S+ 0 0 107 -4,-3.1 4,-2.1 1,-0.3 -1,-0.3 0.794 99.1 58.7 -56.3 -27.9 -0.1 -10.7 2.0 10 59 A A H << S+ 0 0 64 -3,-1.4 4,-0.4 -4,-0.7 -1,-0.3 0.830 110.0 43.8 -72.9 -28.0 -1.7 -12.7 4.8 11 60 A I H XX S+ 0 0 104 -3,-1.2 3,-1.9 -4,-1.1 4,-0.7 0.951 113.9 46.5 -79.1 -53.4 -4.8 -12.9 2.7 12 61 A I H >< S+ 0 0 52 -4,-2.6 3,-1.6 1,-0.3 5,-0.4 0.903 101.0 70.9 -56.8 -39.8 -3.3 -13.7 -0.7 13 62 A R T 3< S+ 0 0 164 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.752 116.4 21.8 -48.3 -28.4 -1.1 -16.3 1.2 14 63 A I T <4 S+ 0 0 103 -3,-1.9 4,-0.4 -4,-0.4 -1,-0.3 0.239 108.9 87.5-123.9 10.7 -4.3 -18.4 1.6 15 64 A L S XX S+ 0 0 84 -3,-1.6 3,-1.8 -4,-0.7 4,-1.0 0.820 104.6 8.6 -76.4-104.9 -6.4 -16.9 -1.3 16 65 A Q H 3> S+ 0 0 91 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.503 114.2 82.4 -59.2 4.0 -5.7 -18.7 -4.6 17 66 A Q H 3> S+ 0 0 75 -5,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.914 99.3 38.7 -72.7 -37.2 -3.6 -21.3 -2.7 18 67 A L H <> S+ 0 0 95 -3,-1.8 4,-1.8 -4,-0.4 -2,-0.2 0.809 118.8 49.0 -77.9 -30.8 -6.9 -23.0 -1.9 19 68 A L H X S+ 0 0 93 -4,-1.0 4,-3.3 2,-0.2 5,-0.3 0.896 107.1 53.8 -76.6 -38.9 -8.3 -22.3 -5.3 20 69 A F H X S+ 0 0 120 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.889 115.2 41.7 -65.5 -36.2 -5.3 -23.5 -7.1 21 70 A I H X>S+ 0 0 77 -4,-1.3 4,-1.3 2,-0.2 5,-0.6 0.839 115.0 49.2 -81.5 -27.3 -5.6 -26.7 -5.3 22 71 A H H X5S+ 0 0 121 -4,-1.8 4,-1.8 3,-0.2 -2,-0.2 0.904 123.2 34.5 -71.8 -37.8 -9.3 -26.9 -5.7 23 72 A F H <5S+ 0 0 152 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.894 114.0 54.3 -80.6 -47.0 -8.9 -26.1 -9.4 24 73 A R H <5S+ 0 0 200 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.899 126.6 26.6 -57.3 -40.4 -5.7 -28.0 -10.1 25 74 A I H <5 0 0 149 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.926 360.0 360.0 -86.4 -57.7 -7.3 -31.1 -8.6 26 75 A G << 0 0 80 -4,-1.8 -1,-0.2 -5,-0.6 -2,-0.1 -0.267 360.0 360.0 -78.8 360.0 -11.0 -30.2 -9.3