==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-03 1ONB . COMPND 2 MOLECULE: HELICASE NS3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR D.LIU,Y.S.WANG,J.J.GESELL,D.F.WYSS . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 4.3 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 . 2 1.4 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 . 23 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 2 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 2 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 . 1 1 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 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 G 0 0 134 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.7 -21.7 -14.1 -9.1 2 2 A S - 0 0 100 1,-0.0 2,-0.7 2,-0.0 0, 0.0 -0.746 360.0-155.4 -92.8 135.4 -17.9 -14.4 -8.8 3 3 A V - 0 0 138 -2,-0.4 2,-0.1 3,-0.0 -1,-0.0 -0.870 9.4-151.9-113.0 104.6 -16.4 -14.6 -5.3 4 4 A T - 0 0 47 -2,-0.7 109,-0.1 1,-0.1 108,-0.0 -0.446 27.5-104.3 -72.3 144.7 -12.8 -13.3 -5.1 5 5 A V - 0 0 82 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.387 37.0-118.6 -68.5 148.0 -10.5 -14.9 -2.4 6 6 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.023 27.6-178.3 -73.4-173.8 -9.9 -12.7 0.7 7 7 A H > + 0 0 32 3,-0.1 3,-1.3 113,-0.0 -2,-0.0 -0.087 11.2 174.8 170.7 76.6 -6.4 -11.6 1.8 8 8 A P T 3 S+ 0 0 120 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.684 71.4 84.6 -68.2 -17.4 -6.2 -9.5 5.0 9 9 A N T 3 S+ 0 0 78 118,-0.1 119,-0.7 2,-0.1 2,-0.5 0.812 87.6 61.8 -57.0 -24.6 -2.4 -9.6 4.7 10 10 A I E < S-a 128 0A 5 -3,-1.3 2,-0.5 117,-0.2 119,-0.3 -0.872 84.4-135.9-106.0 133.3 -2.8 -6.6 2.4 11 11 A E E -a 129 0A 117 117,-4.2 119,-3.7 -2,-0.5 2,-0.3 -0.704 20.3-138.6 -85.7 128.4 -4.3 -3.3 3.6 12 12 A E E -a 130 0A 111 -2,-0.5 2,-0.3 117,-0.2 119,-0.2 -0.682 23.6-176.7 -89.2 139.2 -6.8 -1.8 1.1 13 13 A V E -a 131 0A 45 117,-3.6 119,-2.0 -2,-0.3 2,-0.7 -0.942 23.7-129.7-132.7 155.6 -6.8 1.9 0.5 14 14 A A E -a 132 0A 65 -2,-0.3 119,-0.2 117,-0.2 117,-0.1 -0.890 26.7-127.3-109.1 113.3 -8.9 4.3 -1.6 15 15 A L - 0 0 10 117,-3.0 2,-0.3 -2,-0.7 13,-0.1 -0.235 36.4-178.5 -54.3 140.0 -6.9 6.7 -3.9 16 16 A S - 0 0 53 11,-0.3 2,-2.9 2,-0.2 11,-1.3 -0.860 44.2 -78.5-136.5 172.5 -8.0 10.3 -3.3 17 17 A T B S+f 27 0B 114 -2,-0.3 2,-0.3 9,-0.2 11,-0.1 -0.362 89.2 113.7 -71.7 71.6 -7.2 13.8 -4.6 18 18 A T + 0 0 72 -2,-2.9 2,-0.3 9,-1.3 -2,-0.2 -0.852 50.7 40.4-146.2 109.3 -4.0 14.1 -2.6 19 19 A G S S- 0 0 34 -2,-0.3 9,-0.1 10,-0.2 8,-0.0 -0.932 78.6 -89.6 148.9-173.9 -0.5 14.2 -4.1 20 20 A E S S+ 0 0 144 8,-0.8 -1,-0.1 -2,-0.3 8,-0.1 0.650 99.8 77.0-107.9 -22.7 1.6 15.7 -6.9 21 21 A I E S-G 28 0B 0 7,-1.3 7,-2.1 -3,-0.1 -1,-0.1 -0.767 78.0-143.4 -95.1 102.4 1.2 12.9 -9.5 22 22 A P E +G 27 0B 89 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.308 28.3 172.5 -62.0 140.0 -2.3 13.4 -11.0 23 23 A F - 0 0 19 3,-3.0 2,-2.1 110,-0.0 3,-0.1 -0.596 49.3 -32.8-133.9-164.1 -4.0 10.1 -11.9 24 24 A Y S S- 0 0 45 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 -0.294 122.5 -44.7 -58.1 81.6 -7.4 8.7 -13.0 25 25 A G S S+ 0 0 66 -2,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.590 132.2 89.6 68.1 5.0 -9.5 11.4 -11.3 26 26 A K S S- 0 0 60 -9,-0.1 -3,-3.0 -3,-0.1 2,-0.7 -0.937 73.7-132.9-131.0 155.9 -7.2 10.8 -8.2 27 27 A A E -fG 17 22B 19 -11,-1.3 -9,-1.3 -2,-0.3 -11,-0.3 -0.885 21.0-140.5-111.9 107.3 -3.9 12.4 -7.1 28 28 A I E - G 0 21B 0 -7,-2.1 -7,-1.3 -2,-0.7 -8,-0.8 -0.514 13.8-139.1 -68.0 114.6 -1.4 9.8 -6.0 29 29 A P >> - 0 0 12 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.535 14.9-130.2 -70.2 128.3 0.4 11.2 -3.0 30 30 A L H >> S+ 0 0 35 -2,-0.3 4,-4.3 1,-0.3 3,-0.9 0.765 100.7 82.2 -56.2 -18.5 4.1 10.3 -3.5 31 31 A E H 34 S+ 0 0 148 1,-0.3 -1,-0.3 2,-0.2 -12,-0.0 0.736 90.8 52.0 -59.5 -16.1 4.0 8.9 0.1 32 32 A V H <4 S+ 0 0 3 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.749 126.8 19.1 -91.8 -25.2 2.5 5.7 -1.6 33 33 A I H << S+ 0 0 0 -3,-0.9 3,-0.5 -4,-0.5 2,-0.3 0.585 114.5 74.0-118.3 -17.2 5.2 5.2 -4.2 34 34 A K S < S+ 0 0 89 -4,-4.3 3,-0.1 -5,-0.2 26,-0.1 -0.722 79.5 49.3 -98.7 148.4 8.1 7.3 -2.8 35 35 A G S S- 0 0 58 1,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.330 123.0 -11.5 108.6 -6.1 10.2 6.1 0.1 36 36 A G S S- 0 0 8 -3,-0.5 2,-0.4 43,-0.1 -1,-0.3 -0.818 103.2 -33.4 179.0-136.8 10.9 2.6 -1.3 37 37 A R + 0 0 80 -2,-0.2 60,-2.2 42,-0.2 61,-0.5 -0.942 53.1 170.3-117.7 132.5 9.6 0.3 -4.1 38 38 A H E -bc 81 98A 9 42,-1.0 44,-2.9 -2,-0.4 2,-0.6 -0.987 26.1-138.9-139.8 150.2 6.1 0.3 -5.4 39 39 A L E -bc 82 99A 0 59,-1.8 61,-0.8 -2,-0.3 2,-0.5 -0.909 16.7-162.6-112.2 114.7 4.2 -1.3 -8.3 40 40 A I E -bc 83 100A 0 42,-3.2 44,-1.9 -2,-0.6 2,-0.6 -0.811 9.1-147.1 -97.6 127.9 1.6 0.9 -10.1 41 41 A F E -bc 84 101A 7 59,-2.6 61,-0.8 -2,-0.5 2,-0.3 -0.805 21.0-177.7 -95.3 123.0 -0.9 -0.9 -12.3 42 42 A C - 0 0 4 -2,-0.6 44,-0.2 42,-0.6 3,-0.1 -0.815 28.6-150.7-117.4 160.1 -2.0 1.0 -15.4 43 43 A H S S+ 0 0 56 -2,-0.3 2,-0.4 42,-0.1 63,-0.3 0.413 81.1 58.7-107.1 0.5 -4.5 0.3 -18.1 44 44 A S > - 0 0 26 1,-0.1 4,-1.3 61,-0.1 -1,-0.1 -0.989 63.0-151.3-134.2 137.4 -2.8 2.3 -20.9 45 45 A K H > S+ 0 0 100 -2,-0.4 4,-1.6 2,-0.2 -1,-0.1 0.897 98.0 58.8 -71.5 -39.7 0.7 2.1 -22.3 46 46 A K H > S+ 0 0 167 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 107.8 47.3 -58.6 -36.7 0.9 5.8 -23.2 47 47 A K H > S+ 0 0 84 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.871 103.8 61.1 -73.8 -34.4 0.3 6.7 -19.5 48 48 A C H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 5,-0.3 0.880 104.2 51.0 -60.5 -34.0 3.0 4.2 -18.4 49 49 A D H X S+ 0 0 70 -4,-1.6 4,-2.0 2,-0.2 5,-0.3 0.962 118.9 34.0 -69.5 -49.6 5.5 6.2 -20.4 50 50 A E H X S+ 0 0 136 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.930 116.8 55.0 -71.9 -44.4 4.7 9.6 -18.9 51 51 A L H X S+ 0 0 2 -4,-3.5 4,-1.7 -5,-0.2 -3,-0.2 0.918 114.9 39.6 -56.9 -43.1 3.8 8.2 -15.4 52 52 A A H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.4 10,-0.4 0.969 119.8 42.9 -74.2 -51.8 7.2 6.5 -15.1 53 53 A A H X S+ 0 0 62 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.920 112.9 55.6 -60.7 -38.8 9.3 9.3 -16.7 54 54 A K H >X S+ 0 0 60 -4,-3.2 4,-1.8 -5,-0.3 3,-0.9 0.947 102.3 55.6 -59.4 -46.0 7.3 11.8 -14.7 55 55 A L H 3X>S+ 0 0 0 -4,-1.7 5,-2.5 -5,-0.3 4,-1.9 0.914 100.0 59.7 -55.3 -40.3 8.2 10.0 -11.4 56 56 A V H 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.894 107.2 47.5 -56.4 -34.5 11.9 10.4 -12.3 57 57 A A H <<5S+ 0 0 85 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.838 107.2 55.4 -75.5 -31.2 11.2 14.1 -12.3 58 58 A L H <5S- 0 0 62 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.797 128.2 -97.5 -71.2 -26.1 9.3 13.9 -8.9 59 59 A G T <5S+ 0 0 48 -4,-1.9 2,-0.4 1,-0.4 -3,-0.2 0.408 90.7 112.2 121.6 4.8 12.4 12.3 -7.4 60 60 A I < - 0 0 3 -5,-2.5 2,-0.9 -6,-0.2 -1,-0.4 -0.858 69.0-124.8-108.1 143.3 11.3 8.6 -7.7 61 61 A N E +d 80 0A 54 18,-1.7 20,-3.7 -2,-0.4 2,-0.4 -0.726 44.5 172.4 -86.3 107.6 12.9 6.1 -10.0 62 62 A A E -d 81 0A 8 -2,-0.9 2,-0.3 -10,-0.4 20,-0.2 -0.904 16.1-175.4-120.9 149.8 10.0 4.8 -12.0 63 63 A V E -d 82 0A 17 18,-1.8 20,-3.1 -2,-0.4 2,-0.5 -0.979 17.3-137.8-138.3 152.4 9.7 2.5 -15.0 64 64 A A E -d 83 0A 7 -2,-0.3 2,-0.5 18,-0.2 20,-0.2 -0.927 15.1-168.4-114.4 130.8 6.8 1.4 -17.3 65 65 A Y E +d 84 0A 64 18,-0.9 20,-1.4 -2,-0.5 22,-0.4 -0.951 27.0 128.4-120.5 122.2 6.4 -2.2 -18.4 66 66 A Y > - 0 0 21 -2,-0.5 3,-0.8 18,-0.2 -2,-0.0 -0.936 66.0 -46.0-156.2 176.8 3.9 -3.2 -21.1 67 67 A R T 3 S+ 0 0 224 -2,-0.3 20,-0.0 1,-0.2 19,-0.0 -0.283 129.0 18.2 -53.3 125.1 3.7 -5.1 -24.5 68 68 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.885 97.1 137.3 80.9 38.6 6.7 -4.0 -26.6 69 69 A L < - 0 0 31 -3,-0.8 2,-0.3 18,-0.0 -1,-0.2 -0.838 50.5-123.1-117.5 156.1 8.7 -2.6 -23.6 70 70 A D - 0 0 120 -2,-0.3 2,-0.6 -6,-0.2 3,-0.3 -0.710 37.6 -95.2 -96.7 149.0 12.5 -2.9 -22.8 71 71 A V S S+ 0 0 125 -2,-0.3 -1,-0.1 1,-0.2 -6,-0.1 -0.426 72.6 131.4 -62.2 110.9 13.8 -4.2 -19.6 72 72 A S + 0 0 60 -2,-0.6 -1,-0.2 -8,-0.1 -7,-0.1 0.572 28.2 106.2-132.6 -35.2 14.3 -1.1 -17.5 73 73 A V - 0 0 27 -3,-0.3 9,-0.1 -9,-0.1 -11,-0.1 -0.261 47.5-177.0 -52.3 129.0 12.7 -1.6 -14.1 74 74 A I - 0 0 55 -13,-0.1 2,-0.4 7,-0.1 3,-0.3 -0.934 24.6-164.9-138.0 115.7 15.5 -2.1 -11.6 75 75 A P S S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.127 79.1 73.9 -87.3 39.1 15.0 -2.9 -7.9 76 76 A T S S+ 0 0 107 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.157 70.1 78.4-144.2 46.9 18.6 -2.0 -7.0 77 77 A N S S- 0 0 114 -3,-0.3 2,-0.9 -16,-0.1 -1,-0.1 0.069 106.8 -88.0-142.2 26.9 19.0 1.8 -7.1 78 78 A G S S+ 0 0 44 -3,-0.1 2,-0.5 2,-0.1 -1,-0.1 -0.787 103.6 8.3 104.0 -94.9 17.4 3.0 -3.8 79 79 A D + 0 0 57 -2,-0.9 -18,-1.7 -3,-0.1 2,-0.4 -0.911 69.4 172.9-128.8 109.0 13.7 3.5 -4.4 80 80 A V E - d 0 61A 0 -2,-0.5 -42,-1.0 -20,-0.1 2,-0.5 -0.936 15.3-159.5-117.0 134.5 12.2 2.4 -7.7 81 81 A V E -bd 38 62A 0 -20,-3.7 -18,-1.8 -2,-0.4 2,-0.6 -0.932 9.7-151.7-112.9 122.3 8.5 2.3 -8.5 82 82 A V E -bd 39 63A 2 -44,-2.9 -42,-3.2 -2,-0.5 2,-0.8 -0.817 9.8-171.8 -97.0 119.6 7.3 0.0 -11.3 83 83 A V E +bd 40 64A 0 -20,-3.1 -18,-0.9 -2,-0.6 2,-0.3 -0.848 29.7 135.7-111.4 100.4 4.2 1.2 -13.2 84 84 A A E -bd 41 65A 0 -44,-1.9 -42,-0.6 -2,-0.8 -18,-0.2 -0.950 43.0-136.6-141.4 162.8 3.1 -1.6 -15.6 85 85 A T S > S- 0 0 26 -20,-1.4 2,-1.0 -2,-0.3 3,-0.8 0.298 72.3 -39.6 -93.3-136.0 -0.1 -3.4 -16.7 86 86 A D T 3 S+ 0 0 95 1,-0.2 -20,-0.1 -44,-0.2 -1,-0.1 -0.165 118.2 85.3 -86.4 46.7 -0.4 -7.1 -17.3 87 87 A A T 3 + 0 0 25 -2,-1.0 -1,-0.2 -22,-0.4 -21,-0.2 0.630 69.6 69.3-117.1 -23.1 3.1 -7.4 -18.8 88 88 A L S < S- 0 0 12 -3,-0.8 -2,-0.1 -23,-0.3 5,-0.1 0.846 77.4-161.4 -65.8 -29.3 5.3 -7.8 -15.7 89 89 A M - 0 0 117 -4,-0.3 -1,-0.1 2,-0.1 -3,-0.1 0.902 35.2-110.7 48.7 44.9 3.8 -11.2 -15.2 90 90 A T + 0 0 59 1,-0.2 2,-1.8 2,-0.1 31,-0.0 0.001 69.0 141.3 33.9-118.9 5.1 -11.1 -11.5 91 91 A G S S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.391 90.2 18.0 86.5 -63.7 7.9 -13.8 -11.3 92 92 A F S > S+ 0 0 120 -2,-1.8 3,-0.5 2,-0.0 -1,-0.2 0.361 106.9 100.5-119.9 1.8 10.0 -11.6 -9.0 93 93 A T T 3 + 0 0 18 1,-0.2 2,-0.4 -5,-0.1 28,-0.1 0.280 38.1 87.8 -67.7-154.4 7.3 -9.2 -7.7 94 94 A G T 3 + 0 0 0 1,-0.1 2,-1.7 26,-0.1 30,-0.9 -0.118 68.9 91.3 90.1 -41.5 5.6 -9.6 -4.3 95 95 A D < + 0 0 110 -3,-0.5 2,-0.4 -2,-0.4 27,-0.2 -0.288 60.6 122.0 -84.0 57.5 8.3 -7.6 -2.6 96 96 A F B -h 122 0C 19 -2,-1.7 27,-0.6 25,-1.0 28,-0.3 -0.914 62.0-140.9-119.7 146.7 6.5 -4.2 -2.9 97 97 A D S S- 0 0 67 -60,-2.2 32,-1.0 -2,-0.4 2,-0.3 0.867 83.8 -15.7 -72.1 -33.3 5.4 -1.9 -0.2 98 98 A S E -ce 38 129A 0 -61,-0.5 -59,-1.8 30,-0.2 2,-0.5 -0.995 57.1-130.4-162.8 163.7 2.1 -1.1 -2.0 99 99 A V E -ce 39 130A 0 30,-2.1 32,-1.4 -2,-0.3 2,-0.7 -0.940 13.9-159.7-126.7 114.6 0.3 -1.4 -5.3 100 100 A I E +ce 40 131A 0 -61,-0.8 -59,-2.6 -2,-0.5 2,-0.3 -0.796 24.1 172.6 -93.2 114.7 -1.5 1.7 -6.8 101 101 A D E -ce 41 132A 3 30,-2.7 32,-1.7 -2,-0.7 -86,-0.2 -0.861 42.0-139.6-122.1 160.2 -4.0 0.5 -9.4 102 102 A C - 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