==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 11-APR-00 1ESX . COMPND 2 MOLECULE: VPR PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.WECKER,N.MORELLET,S.BOUAZIZ,B.ROQUES . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 71.9 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 . 2 2.1 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 8 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 47.9 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+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 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 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 . 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 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 M 0 0 246 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 -39.1 -34.1 25.2 2 2 A E - 0 0 58 2,-0.3 2,-2.0 9,-0.1 11,-0.0 -0.967 360.0 -99.9-159.6 156.2 -36.4 -34.7 27.9 3 3 A Q S S+ 0 0 169 -2,-0.3 8,-0.1 2,-0.0 3,-0.1 -0.506 91.2 91.9 -82.3 69.3 -36.1 -34.6 31.7 4 4 A A S S- 0 0 26 -2,-2.0 -2,-0.3 1,-0.1 4,-0.1 -0.963 84.6-116.9-156.7 153.6 -34.6 -31.1 31.7 5 5 A P S S- 0 0 121 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.898 93.2 -53.4 -63.5 -41.3 -35.9 -27.5 32.0 6 6 A E S S+ 0 0 142 1,-0.7 7,-0.5 5,-0.1 2,-0.3 0.165 124.2 16.8-161.3 -48.6 -34.6 -26.8 28.5 7 7 A D B +A 12 0A 42 5,-0.1 -1,-0.7 1,-0.1 5,-0.2 -0.859 50.2 153.9-130.9 162.3 -30.9 -27.8 28.5 8 8 A Q - 0 0 104 3,-0.8 4,-0.2 -2,-0.3 -1,-0.1 0.304 57.2-102.2-153.8 -54.4 -28.8 -30.0 30.9 9 9 A G S S+ 0 0 40 2,-1.9 8,-0.1 0, 0.0 -1,-0.1 -0.573 110.7 35.1 152.9 -79.7 -25.7 -31.5 29.2 10 10 A P S S+ 0 0 116 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.992 118.4 57.3 -59.5 -61.9 -26.3 -35.2 28.3 11 11 A Q S S+ 0 0 57 -8,-0.1 -2,-1.9 -4,-0.0 -3,-0.8 -0.620 78.6 151.5 -70.7 117.0 -30.0 -34.4 27.7 12 12 A R B -A 7 0A 105 -2,-0.5 -5,-0.1 -5,-0.2 4,-0.0 -0.916 33.9-145.8-157.3 123.9 -29.8 -31.7 25.0 13 13 A E - 0 0 79 -7,-0.5 2,-1.7 -2,-0.3 5,-0.4 -0.460 44.6 -88.3 -84.7 163.6 -32.3 -30.8 22.2 14 14 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.090 122.3 41.7 -64.8 36.8 -31.2 -29.5 18.7 15 15 A Y S > S+ 0 0 153 -2,-1.7 3,-2.3 3,-0.0 4,-0.2 -0.234 85.3 80.7-143.4-125.5 -31.3 -26.0 20.1 16 16 A N T >> S+ 0 0 20 1,-0.3 3,-0.9 2,-0.2 4,-0.8 -0.277 114.9 3.9 56.0-126.3 -29.8 -25.4 23.6 17 17 A D H 3> S+ 0 0 53 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.721 127.0 67.7 -65.3 -24.8 -26.0 -25.1 23.4 18 18 A W H <> S+ 0 0 106 -3,-2.3 4,-2.4 -5,-0.4 -1,-0.3 0.873 95.1 57.4 -59.1 -40.6 -26.2 -25.4 19.6 19 19 A T H <> S+ 0 0 70 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.895 105.8 47.8 -58.7 -45.0 -27.9 -22.0 19.6 20 20 A L H X S+ 0 0 110 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.950 112.0 50.1 -60.0 -49.4 -24.9 -20.5 21.4 21 21 A E H X S+ 0 0 94 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.845 110.4 50.9 -55.5 -36.8 -22.6 -22.2 18.8 22 22 A L H X S+ 0 0 80 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.864 112.6 44.8 -69.7 -37.7 -24.8 -20.8 16.1 23 23 A L H X S+ 0 0 109 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.840 112.6 52.3 -72.6 -36.2 -24.5 -17.2 17.6 24 24 A E H X S+ 0 0 123 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.878 110.1 48.3 -66.2 -41.3 -20.8 -17.8 18.1 25 25 A E H X S+ 0 0 126 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.904 110.2 52.1 -64.2 -43.6 -20.6 -18.8 14.4 26 26 A L H X S+ 0 0 95 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.925 111.7 46.8 -57.8 -46.5 -22.6 -15.6 13.5 27 27 A K H X S+ 0 0 125 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.914 110.6 52.1 -61.2 -46.2 -20.1 -13.5 15.6 28 28 A N H X S+ 0 0 112 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.922 115.8 41.0 -56.3 -48.7 -17.1 -15.3 13.9 29 29 A E H X S+ 0 0 133 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.953 115.5 50.0 -61.7 -55.3 -18.6 -14.5 10.4 30 30 A A H < S+ 0 0 40 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.837 112.7 45.6 -57.0 -41.9 -19.7 -11.0 11.3 31 31 A V H < S+ 0 0 91 -4,-2.8 3,-0.4 2,-0.2 -1,-0.2 0.879 114.0 48.5 -75.0 -37.0 -16.3 -9.9 12.8 32 32 A R H < S+ 0 0 198 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.917 112.7 49.7 -62.5 -45.1 -14.4 -11.4 9.9 33 33 A H S >X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 3,-1.3 0.603 90.7 90.1 -66.9 -15.6 -16.8 -9.6 7.5 34 34 A F T 34 S+ 0 0 158 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.683 81.5 48.4 -62.5 -28.0 -16.2 -6.3 9.5 35 35 A P T 34 S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.472 122.1 39.6 -85.7 -8.1 -13.2 -4.8 7.6 36 36 A R T <4 S+ 0 0 147 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.857 73.5 136.2-101.0 -68.3 -15.2 -5.5 4.3 37 37 A I < + 0 0 67 -4,-2.4 -3,-0.0 1,-0.2 -4,-0.0 0.581 37.5 95.6 -2.1 97.7 -18.9 -4.7 5.0 38 38 A W S >> S+ 0 0 154 0, 0.0 4,-2.8 0, 0.0 3,-1.7 0.155 75.1 51.0-147.4 -79.1 -20.1 -2.8 2.0 39 39 A L H 3> S+ 0 0 102 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.755 103.2 67.5 -38.6 -41.9 -21.8 -5.0 -0.6 40 40 A H H 3> S+ 0 0 111 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.893 118.6 18.4 -42.2 -58.6 -23.9 -6.4 2.3 41 41 A S H <> S+ 0 0 53 -3,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.764 120.2 63.7 -92.5 -33.8 -25.7 -3.1 2.7 42 42 A L H X S+ 0 0 64 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.928 106.6 44.7 -56.5 -50.9 -24.9 -1.5 -0.7 43 43 A G H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.937 115.0 47.8 -59.1 -51.8 -26.9 -4.2 -2.5 44 44 A Q H X S+ 0 0 121 -4,-0.8 4,-2.3 -5,-0.4 -2,-0.2 0.884 113.6 49.1 -56.0 -44.9 -29.8 -4.0 -0.1 45 45 A H H X S+ 0 0 98 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.947 112.7 44.3 -61.2 -56.2 -29.9 -0.2 -0.3 46 46 A I H X S+ 0 0 92 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.918 115.1 49.8 -58.8 -47.5 -29.8 -0.0 -4.1 47 47 A Y H < S+ 0 0 142 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.909 119.9 36.7 -51.7 -52.4 -32.4 -2.8 -4.4 48 48 A E H < S- 0 0 95 -4,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.998 142.1 -19.2 -69.7 -73.7 -34.7 -1.0 -1.9 49 49 A T H < + 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 7,-0.2 -0.860 61.6 170.1-144.6 103.3 -34.3 2.7 -2.6 50 50 A Y S < S+ 0 0 138 -4,-0.6 -1,-0.1 -2,-0.3 6,-0.1 0.953 90.4 12.5 -80.7 -53.6 -31.2 3.8 -4.6 51 51 A G S S- 0 0 37 -5,-0.2 -1,-0.1 0, 0.0 -5,-0.1 0.700 85.5-152.6 -91.1 -27.6 -32.1 7.4 -5.3 52 52 A D S S+ 0 0 92 1,-0.1 2,-0.2 -4,-0.0 -3,-0.0 0.661 72.8 90.6 56.7 24.5 -35.0 7.5 -2.9 53 53 A T S S- 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.691 122.1 -55.1-149.6 83.2 -36.6 10.2 -5.1 54 54 A W S S+ 0 0 206 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.785 141.3 67.0 40.2 40.4 -38.8 8.7 -7.8 55 55 A T S > S+ 0 0 55 0, 0.0 4,-0.7 0, 0.0 -5,-0.2 0.334 113.2 21.7-145.8 -57.2 -35.8 6.7 -8.7 56 56 A G H > S+ 0 0 0 2,-0.2 4,-2.8 -7,-0.2 5,-0.2 0.759 123.2 58.4 -89.4 -31.7 -35.4 4.5 -5.6 57 57 A V H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.889 106.2 50.8 -60.1 -37.6 -39.1 5.0 -4.8 58 58 A E H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 108.2 51.3 -64.6 -39.1 -39.6 3.5 -8.3 59 59 A A H X S+ 0 0 17 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.926 110.4 48.6 -63.2 -45.0 -37.3 0.6 -7.2 60 60 A L H X S+ 0 0 85 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.903 110.1 51.3 -60.9 -44.2 -39.4 0.1 -4.1 61 61 A I H X S+ 0 0 83 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.850 105.6 57.2 -60.9 -35.3 -42.6 0.2 -6.2 62 62 A R H X S+ 0 0 143 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.889 104.2 51.2 -63.5 -40.2 -40.9 -2.5 -8.4 63 63 A I H X S+ 0 0 37 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.910 111.7 47.8 -61.5 -41.7 -40.5 -4.7 -5.4 64 64 A L H X S+ 0 0 104 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.899 111.2 51.2 -62.1 -41.1 -44.2 -4.2 -4.7 65 65 A Q H X S+ 0 0 100 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.878 107.9 51.4 -64.8 -43.5 -45.0 -4.9 -8.4 66 66 A Q H X S+ 0 0 76 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.909 112.4 47.3 -54.8 -48.1 -43.0 -8.2 -8.2 67 67 A L H X S+ 0 0 81 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.938 112.3 47.9 -61.1 -52.7 -45.0 -9.1 -5.1 68 68 A L H X S+ 0 0 99 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.892 108.6 55.4 -55.7 -47.5 -48.4 -8.2 -6.7 69 69 A F H X S+ 0 0 117 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.889 107.9 49.0 -54.8 -45.5 -47.5 -10.1 -9.8 70 70 A I H X S+ 0 0 51 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.941 112.5 47.2 -61.5 -47.4 -46.8 -13.3 -7.7 71 71 A H H X S+ 0 0 108 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 112.4 50.6 -61.0 -41.6 -50.2 -12.9 -5.9 72 72 A F H X S+ 0 0 143 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.911 109.2 51.1 -59.0 -48.5 -51.9 -12.3 -9.2 73 73 A R H X S+ 0 0 111 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 111.1 47.4 -57.4 -47.7 -50.3 -15.4 -10.7 74 74 A I H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.910 112.5 50.1 -61.4 -45.4 -51.5 -17.5 -7.7 75 75 A G H < S+ 0 0 42 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.913 112.5 46.6 -57.1 -47.5 -55.0 -16.1 -8.0 76 76 A C H >X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 3,-0.8 0.889 108.8 54.6 -66.1 -41.8 -55.1 -16.9 -11.8 77 77 A R H 3X S+ 0 0 163 -4,-2.6 2,-1.1 1,-0.3 4,-0.8 0.920 107.2 52.9 -53.8 -45.7 -53.8 -20.4 -11.2 78 78 A H H 3< S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.381 116.6 37.9 -91.1 54.1 -56.7 -20.8 -8.7 79 79 A S H X4 S+ 0 0 32 -2,-1.1 3,-1.9 -3,-0.8 -2,-0.2 0.171 105.0 56.9-161.1 -58.1 -59.3 -19.7 -11.3 80 80 A R H >< S+ 0 0 178 -4,-2.4 3,-0.6 1,-0.3 -2,-0.1 0.679 97.5 67.5 -66.8 -18.6 -58.5 -21.0 -14.8 81 81 A I T 3< S+ 0 0 135 -4,-0.8 -1,-0.3 -5,-0.3 -3,-0.1 0.509 119.6 19.4 -73.9 -7.4 -58.4 -24.6 -13.4 82 82 A G T X + 0 0 17 -3,-1.9 3,-1.6 3,-0.1 6,-0.3 -0.262 67.8 156.7-164.4 58.8 -62.2 -24.3 -12.8 83 83 A I T < S+ 0 0 67 -3,-0.6 6,-2.3 1,-0.3 7,-1.3 0.903 90.4 34.6 -52.9 -46.8 -63.6 -21.4 -15.0 84 84 A I T 3 S+ 0 0 111 3,-0.2 2,-2.5 4,-0.2 -1,-0.3 -0.331 75.8 150.6-106.8 42.2 -67.1 -23.1 -14.8 85 85 A Q S < S- 0 0 95 -3,-1.6 -3,-0.1 1,-0.3 -1,-0.0 -0.497 105.1 -39.4 -76.5 69.7 -66.6 -24.4 -11.2 86 86 A Q S S- 0 0 126 -2,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.934 117.7 -51.7 57.4 51.2 -70.3 -24.1 -10.8 87 87 A R S S+ 0 0 74 9,-0.2 -1,-0.2 -3,-0.1 -3,-0.2 0.794 91.0 166.1 44.9 53.0 -69.7 -21.1 -12.8 88 88 A R S S+ 0 0 125 -6,-0.3 -4,-0.2 1,-0.2 3,-0.2 0.840 78.9 15.7 -45.8 -52.2 -67.0 -20.0 -10.3 89 89 A T S S+ 0 0 46 -6,-2.3 2,-2.0 -7,-0.3 -1,-0.2 0.812 117.6 66.9-101.0 -44.5 -65.5 -17.3 -12.6 90 90 A R + 0 0 164 -7,-1.3 2,-2.2 1,-0.1 -1,-0.2 -0.520 67.4 177.9 -79.5 71.7 -68.3 -16.9 -15.2 91 91 A N + 0 0 107 -2,-2.0 3,-0.3 -3,-0.2 -1,-0.1 -0.346 34.9 120.5 -80.4 57.9 -70.7 -15.4 -12.6 92 92 A G S S+ 0 0 63 -2,-2.2 2,-2.2 1,-0.2 -1,-0.1 0.842 85.4 12.4 -79.2 -99.4 -73.5 -14.7 -15.1 93 93 A A S > S- 0 0 79 -3,-0.2 2,-1.1 1,-0.1 3,-0.7 -0.511 93.6-152.1 -79.2 68.2 -76.6 -16.7 -14.0 94 94 A S T 3 + 0 0 76 -2,-2.2 -3,-0.1 -3,-0.3 -7,-0.1 -0.286 66.5 86.8 -55.4 87.0 -74.9 -17.3 -10.6 95 95 A K T 3 0 0 194 -2,-1.1 -1,-0.2 -9,-0.0 -4,-0.0 0.303 360.0 360.0-140.9 -64.0 -76.5 -20.6 -9.5 96 96 A S < 0 0 78 -3,-0.7 -9,-0.2 -9,-0.0 -11,-0.1 -0.876 360.0 360.0-164.5 360.0 -74.3 -23.4 -11.1