==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-08 3EVE . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE NS5; . SOURCE 2 ORGANISM_SCIENTIFIC: YELLOW FEVER VIRUS; . AUTHOR A.A.THOMPSON . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 0 0 1 1 2 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 6 A K 0 0 227 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -47.8 21.5 7.6 -47.6 2 7 A T > - 0 0 27 180,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.361 360.0-115.1 -71.5 157.7 19.3 9.8 -45.3 3 8 A L H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.886 118.2 55.7 -58.9 -37.6 17.5 12.7 -46.9 4 9 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 102.7 53.4 -63.8 -37.7 19.7 14.9 -44.8 5 10 A E H > S+ 0 0 46 177,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.884 109.3 49.5 -65.3 -36.2 22.9 13.4 -46.1 6 11 A V H X S+ 0 0 32 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.934 108.0 55.2 -66.4 -42.8 21.7 14.1 -49.6 7 12 A W H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.900 106.6 49.6 -54.6 -46.2 20.9 17.7 -48.5 8 13 A K H X S+ 0 0 12 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 110.4 50.6 -62.7 -41.2 24.4 18.3 -47.3 9 14 A R H < S+ 0 0 161 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.926 114.0 43.5 -63.2 -45.4 25.9 17.0 -50.6 10 15 A E H >X S+ 0 0 67 -4,-2.5 3,-1.2 1,-0.2 4,-0.7 0.871 108.5 59.4 -69.2 -35.7 23.6 19.2 -52.7 11 16 A L H >< S+ 0 0 8 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.923 102.2 53.6 -57.3 -44.6 24.3 22.2 -50.4 12 17 A N T 3< S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.643 103.8 57.5 -67.3 -13.7 28.0 21.9 -51.1 13 18 A L T <4 S+ 0 0 140 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.610 79.8 113.2 -91.6 -13.7 27.3 22.1 -54.9 14 19 A L << - 0 0 43 -3,-1.2 2,-0.0 -4,-0.7 -3,-0.0 -0.242 68.0-120.1 -60.1 143.2 25.5 25.4 -54.8 15 20 A D > - 0 0 95 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.307 35.4 -93.0 -77.6 170.3 27.2 28.4 -56.5 16 21 A K H > S+ 0 0 186 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 123.9 42.5 -50.5 -50.9 28.1 31.6 -54.6 17 22 A R H > S+ 0 0 170 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.951 115.5 49.0 -64.1 -50.1 24.9 33.5 -55.3 18 23 A Q H > S+ 0 0 49 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.881 111.8 49.4 -58.3 -40.2 22.6 30.5 -54.7 19 24 A F H X S+ 0 0 71 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.935 112.2 48.1 -64.6 -45.1 24.3 29.6 -51.5 20 25 A E H X S+ 0 0 104 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.923 117.4 41.4 -61.4 -45.4 24.0 33.2 -50.3 21 26 A L H >X S+ 0 0 36 -4,-3.0 3,-0.9 1,-0.2 4,-0.7 0.932 113.8 54.6 -67.3 -45.4 20.3 33.4 -51.2 22 27 A Y H >< S+ 0 0 0 -4,-3.2 3,-1.3 -5,-0.3 187,-0.3 0.902 96.8 62.5 -55.7 -48.8 19.6 29.9 -49.9 23 28 A K H 3< S+ 0 0 33 -4,-2.5 186,-2.0 1,-0.3 187,-0.4 0.746 116.1 29.8 -54.4 -27.6 20.9 30.4 -46.4 24 29 A R H X< S+ 0 0 81 -3,-0.9 3,-1.5 -4,-0.6 2,-0.3 0.361 85.1 136.3-113.7 5.2 18.3 33.1 -45.6 25 30 A T T << S- 0 0 3 -3,-1.3 221,-0.2 -4,-0.7 3,-0.1 -0.364 86.0 -18.4 -60.8 118.2 15.5 31.9 -47.8 26 31 A D T 3 S+ 0 0 84 219,-2.7 -1,-0.3 -2,-0.3 220,-0.2 0.637 103.5 133.9 60.0 20.3 12.1 32.1 -45.9 27 32 A I < - 0 0 3 -3,-1.5 220,-2.6 218,-0.5 2,-0.3 -0.498 57.1-116.1 -95.3 168.0 13.8 32.2 -42.5 28 33 A V E -a 247 0A 33 177,-1.6 2,-0.4 218,-0.2 220,-0.2 -0.781 33.1-174.9 -99.1 146.7 13.0 34.4 -39.5 29 34 A E E -a 248 0A 17 218,-2.6 220,-2.8 -2,-0.3 2,-0.3 -0.996 21.9-131.0-145.7 135.8 15.7 36.8 -38.4 30 35 A V E -a 249 0A 3 -2,-0.4 2,-0.8 218,-0.2 220,-0.2 -0.654 31.5-114.7 -84.7 144.1 15.9 39.2 -35.5 31 36 A D E +a 250 0A 82 218,-2.3 220,-0.6 -2,-0.3 4,-0.3 -0.723 35.5 178.7 -80.2 112.2 17.0 42.7 -36.3 32 37 A R > + 0 0 12 -2,-0.8 4,-2.8 1,-0.1 5,-0.3 0.399 49.2 103.8 -94.9 0.4 20.3 43.0 -34.5 33 38 A D H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.927 84.6 37.9 -48.9 -61.5 21.0 46.6 -35.7 34 39 A T H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 116.1 53.0 -61.1 -43.5 20.2 48.5 -32.5 35 40 A A H > S+ 0 0 4 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.939 109.4 48.7 -58.2 -47.4 21.7 45.8 -30.2 36 41 A R H X S+ 0 0 136 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.872 110.6 50.8 -62.6 -37.0 25.0 45.8 -32.0 37 42 A R H X S+ 0 0 148 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.926 111.1 48.4 -66.9 -43.4 25.3 49.6 -31.9 38 43 A H H <>S+ 0 0 38 -4,-2.4 5,-2.5 1,-0.2 3,-0.4 0.927 113.6 46.1 -61.7 -46.7 24.6 49.7 -28.2 39 44 A L H ><5S+ 0 0 34 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.915 109.9 54.5 -62.7 -43.0 27.2 46.9 -27.4 40 45 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 108.3 49.4 -64.3 -24.7 29.8 48.6 -29.7 41 46 A E T 3<5S- 0 0 113 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.302 121.1-105.4 -97.6 8.9 29.4 51.9 -27.8 42 47 A G T < 5 + 0 0 57 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.608 63.3 156.6 81.8 12.2 29.8 50.2 -24.4 43 48 A K < + 0 0 82 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.571 10.0 166.1 -73.6 130.3 26.2 50.4 -23.2 44 49 A V + 0 0 45 -2,-0.3 68,-2.5 67,-0.1 3,-0.2 0.393 65.0 61.8-122.5 -1.0 25.4 47.7 -20.6 45 50 A D S S+ 0 0 99 66,-0.1 211,-0.1 1,-0.1 -1,-0.1 0.013 75.4 84.1-118.6 29.9 22.1 49.0 -19.3 46 51 A T S S- 0 0 40 2,-0.1 -1,-0.1 -3,-0.1 210,-0.1 0.463 90.9-123.2-108.1 -3.8 19.7 48.9 -22.2 47 52 A G + 0 0 3 1,-0.2 207,-2.8 -3,-0.2 -2,-0.1 0.560 56.3 151.8 75.6 8.9 18.7 45.2 -22.0 48 53 A V B -B 253 0B 12 205,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.331 50.5-101.1 -71.2 156.5 19.8 44.3 -25.5 49 54 A A - 0 0 3 203,-0.7 -10,-0.1 1,-0.1 -1,-0.1 -0.550 15.7-140.3 -80.8 142.1 20.9 40.8 -26.2 50 55 A V S S+ 0 0 5 -2,-0.2 2,-0.3 30,-0.1 -1,-0.1 0.620 82.0 0.7 -76.6 -11.5 24.7 40.0 -26.5 51 56 A S S > S- 0 0 4 30,-0.1 3,-1.0 29,-0.1 4,-0.4 -0.963 80.0 -94.2-161.9 173.5 24.1 37.6 -29.4 52 57 A R T 3> S+ 0 0 70 -2,-0.3 4,-1.2 1,-0.2 3,-0.3 0.624 109.9 80.4 -70.7 -13.5 21.5 36.1 -31.7 53 58 A G H 3> S+ 0 0 8 210,-0.3 4,-2.3 1,-0.2 5,-0.3 0.804 78.3 65.4 -64.2 -31.9 21.4 33.2 -29.3 54 59 A T H <> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.929 103.5 46.1 -57.5 -46.8 19.1 35.0 -26.9 55 60 A A H > S+ 0 0 1 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.851 109.4 56.9 -65.5 -33.7 16.3 35.0 -29.4 56 61 A K H X S+ 0 0 27 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.940 111.1 41.0 -63.2 -47.8 16.9 31.4 -30.2 57 62 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.877 110.5 58.6 -69.1 -36.7 16.5 30.2 -26.6 58 63 A R H X S+ 0 0 56 -4,-2.2 4,-3.2 -5,-0.3 -1,-0.2 0.916 101.7 55.8 -58.2 -41.6 13.5 32.6 -26.1 59 64 A W H X S+ 0 0 47 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.919 112.0 41.6 -57.5 -45.5 11.7 30.8 -29.0 60 65 A F H ><>S+ 0 0 0 -4,-1.3 5,-2.2 1,-0.2 3,-0.8 0.933 117.7 47.7 -66.2 -46.8 12.1 27.4 -27.3 61 66 A H H ><5S+ 0 0 41 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.910 105.3 56.4 -61.9 -47.1 11.2 28.8 -23.8 62 67 A E H 3<5S+ 0 0 102 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.618 112.2 43.0 -65.9 -12.6 8.1 30.8 -24.8 63 68 A R T <<5S- 0 0 115 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.083 117.4-103.6-121.6 24.0 6.4 27.7 -26.3 64 69 A G T < 5S+ 0 0 40 -3,-1.6 -3,-0.2 2,-0.2 3,-0.2 0.555 82.2 126.1 70.7 11.5 7.2 25.2 -23.6 65 70 A Y S -cd 97 139C 0 22,-2.8 24,-2.6 -2,-0.4 3,-0.6 -0.921 5.5-159.6-120.9 102.9 25.2 26.5 -20.0 75 80 A L E 3 S+cd 98 140C 0 64,-3.2 66,-1.5 -2,-0.6 24,-0.2 -0.716 80.7 12.5 -84.2 125.1 27.9 24.5 -21.7 76 81 A G T 3 S+ 0 0 0 22,-2.1 -1,-0.3 -2,-0.5 23,-0.3 0.940 76.2 169.6 75.3 50.3 29.6 26.5 -24.5 77 82 A C X + 0 0 0 21,-2.1 3,-2.3 -3,-0.6 4,-0.4 0.720 9.1 178.1 -69.4 -22.7 28.1 29.8 -23.5 78 83 A G T 3 S- 0 0 0 1,-0.3 -1,-0.2 20,-0.2 -2,-0.1 -0.330 74.4 -3.7 56.7-131.5 30.3 31.9 -25.8 79 84 A R T 3 S- 0 0 77 184,-0.4 30,-2.7 29,-0.2 -1,-0.3 0.710 107.6-109.3 -64.1 -22.6 29.3 35.6 -25.4 80 85 A G <> + 0 0 0 -3,-2.3 4,-2.7 183,-0.3 5,-0.3 0.617 66.8 146.9 105.3 15.3 26.5 34.5 -23.0 81 86 A G H > S+ 0 0 0 182,-1.7 4,-1.3 -4,-0.4 -30,-0.1 0.821 81.2 42.1 -51.7 -37.7 23.2 35.0 -24.9 82 87 A W H > S+ 0 0 0 -5,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.851 112.1 54.5 -79.1 -35.9 21.6 32.0 -23.3 83 88 A C H > S+ 0 0 0 -6,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.934 110.3 45.9 -62.5 -46.8 23.0 32.8 -19.8 84 89 A Y H X S+ 0 0 10 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.893 112.6 50.8 -64.9 -38.3 21.6 36.3 -19.9 85 90 A Y H >< S+ 0 0 15 -4,-1.3 3,-0.6 -5,-0.3 4,-0.3 0.945 114.2 43.4 -64.3 -46.1 18.2 35.1 -21.1 86 91 A A H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 6,-0.3 0.914 107.4 60.5 -65.0 -41.9 18.0 32.4 -18.4 87 92 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 100.2 56.3 -57.9 -26.6 19.2 34.8 -15.7 88 93 A A T << S+ 0 0 11 -4,-1.1 2,-0.4 -3,-0.6 -1,-0.3 0.522 85.0 98.9 -85.2 -6.4 16.2 37.1 -16.3 89 94 A Q S X S- 0 0 34 -3,-1.9 3,-1.7 -4,-0.3 -3,-0.0 -0.707 70.9-139.9 -87.6 129.9 13.6 34.4 -15.7 90 95 A K T 3 S+ 0 0 181 -2,-0.4 -1,-0.1 1,-0.3 -21,-0.0 0.807 100.4 59.1 -55.0 -35.7 12.0 34.4 -12.2 91 96 A E T 3 S+ 0 0 114 -23,-0.2 -21,-2.6 -22,-0.1 2,-0.3 0.634 88.9 90.3 -71.3 -14.7 12.1 30.6 -12.0 92 97 A V E < -c 70 0C 2 -3,-1.7 -21,-0.2 -23,-0.3 3,-0.1 -0.671 49.9-178.1 -86.9 135.7 15.9 30.5 -12.4 93 98 A S E - 0 0 78 -23,-1.9 2,-0.3 1,-0.4 -22,-0.2 0.677 65.6 -7.6-105.1 -22.7 18.0 30.7 -9.2 94 99 A G E -c 71 0C 20 -24,-1.5 -22,-2.9 -8,-0.0 2,-0.4 -0.958 55.2-145.7-170.8 152.9 21.5 30.7 -10.6 95 100 A V E -ce 72 119C 2 23,-2.7 25,-2.8 -2,-0.3 2,-0.5 -0.990 5.9-171.3-133.9 128.2 23.5 30.3 -13.9 96 101 A K E -ce 73 120C 102 -24,-2.5 -22,-2.8 -2,-0.4 2,-0.4 -0.967 12.4-171.7-117.3 115.0 26.9 28.8 -14.5 97 102 A G E -ce 74 121C 0 23,-2.0 25,-1.7 -2,-0.5 2,-0.4 -0.897 1.3-170.1-109.1 138.5 28.2 29.3 -18.0 98 103 A F E +ce 75 122C 20 -24,-2.6 -22,-2.1 -2,-0.4 -21,-2.1 -0.980 15.1 154.1-126.9 139.1 31.3 27.6 -19.3 99 104 A T - 0 0 1 23,-2.1 26,-1.8 -2,-0.4 27,-0.1 -0.992 48.7-117.2-160.0 159.5 33.2 28.3 -22.5 100 105 A L + 0 0 21 -2,-0.3 24,-2.1 24,-0.3 -1,-0.1 0.957 36.0 177.5 -64.0 -53.4 36.6 28.1 -24.3 101 106 A G + 0 0 3 5,-0.6 2,-0.3 22,-0.2 5,-0.1 0.923 45.6 97.8 45.6 56.7 37.0 31.9 -24.8 102 107 A R > + 0 0 100 4,-0.1 3,-2.9 1,-0.1 -1,-0.2 -0.981 65.6 22.7-163.6 161.4 40.4 31.4 -26.3 103 108 A D T 3 S- 0 0 144 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.831 139.1 -35.3 42.8 45.7 42.2 31.2 -29.6 104 109 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.0 2,-0.3 0.212 106.3 132.3 98.5 -16.4 39.5 33.0 -31.5 105 110 A H < - 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