==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-DEC-97 1A1R . COMPND 2 MOLECULE: NS3 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR J.L.KIM,K.A.MORGENSTERN,C.LIN,T.FOX,M.D.DWYER,J.A.LANDRO, . 368 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 . 1 0.3 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 . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 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 . 7 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 PARALLEL BRIDGES PER LADDER . 1 3 7 3 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 4 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 55 A V 0 0 59 0, 0.0 2,-0.4 0, 0.0 348,-0.1 0.000 360.0 360.0 360.0 134.3 92.7 42.5 51.5 2 56 A E - 0 0 104 61,-0.0 2,-0.3 339,-0.0 61,-0.3 -0.891 360.0-143.4-114.7 144.0 90.0 41.9 54.0 3 57 A G B -a 63 0A 0 59,-2.6 61,-1.4 -2,-0.4 340,-0.3 -0.797 10.0-159.2-105.7 148.6 86.6 40.3 53.5 4 58 A E S S+ 0 0 7 338,-1.2 15,-2.9 -2,-0.3 2,-0.5 0.724 85.8 54.2 -92.3 -26.6 83.4 41.2 55.1 5 59 A V E S-BC 18 342B 0 337,-1.6 337,-3.0 13,-0.2 2,-0.4 -0.922 71.1-164.5-112.4 129.0 81.9 37.8 54.4 6 60 A Q E -BC 17 341B 2 11,-1.9 11,-2.0 -2,-0.5 2,-0.9 -0.934 19.0-133.5-117.5 137.6 83.6 34.6 55.6 7 61 A I E -BC 16 340B 11 333,-1.5 332,-2.8 -2,-0.4 333,-0.9 -0.815 36.9-174.1 -88.3 106.6 82.9 31.1 54.4 8 62 A V E -BC 15 338B 0 7,-1.3 7,-2.1 -2,-0.9 2,-0.3 -0.565 9.3-165.2-103.6 165.7 82.7 29.0 57.6 9 63 A S E -BC 14 337B 20 328,-2.2 328,-2.4 5,-0.2 5,-0.3 -0.984 11.7-166.1-150.3 157.9 82.3 25.3 58.3 10 64 A T - 0 0 16 3,-2.6 326,-0.1 -2,-0.3 21,-0.0 -0.712 53.4 -84.6-129.0 177.7 81.5 22.8 61.0 11 65 A A S S+ 0 0 102 -2,-0.2 3,-0.1 1,-0.2 325,-0.0 0.790 128.5 18.6 -59.3 -28.0 82.1 19.0 61.0 12 66 A T S S+ 0 0 124 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.522 122.8 48.5-120.0 -10.7 78.8 18.6 59.1 13 67 A Q - 0 0 70 17,-0.1 -3,-2.6 18,-0.0 2,-0.4 -0.993 49.5-162.6-143.5 143.7 77.8 21.9 57.6 14 68 A T E +B 9 0B 50 -2,-0.4 -5,-0.2 -5,-0.3 2,-0.2 -0.969 32.6 131.7-121.5 134.6 79.3 24.8 55.6 15 69 A F E -B 8 0B 0 -7,-2.1 -7,-1.3 -2,-0.4 2,-0.3 -0.750 45.9 -84.3-155.0-156.0 77.6 28.2 55.4 16 70 A L E -B 7 0B 0 95,-2.3 11,-0.5 -9,-0.2 2,-0.3 -0.817 19.6-159.1-128.9 166.4 78.6 31.9 55.7 17 71 A A E -B 6 0B 0 -11,-2.0 -11,-1.9 -2,-0.3 2,-0.4 -0.931 11.7-150.0-137.6 155.2 79.1 34.6 58.3 18 72 A T E -BD 5 25B 0 7,-2.7 7,-2.8 -2,-0.3 2,-0.6 -0.997 10.9-136.2-134.3 129.1 79.0 38.3 57.9 19 73 A C E + D 0 24B 0 -15,-2.9 47,-1.9 -2,-0.4 2,-0.4 -0.751 33.6 162.8 -85.7 123.3 80.9 41.0 59.9 20 74 A I E > -eD 66 23B 1 3,-2.4 3,-1.9 -2,-0.6 47,-0.1 -0.988 68.1 -5.0-140.9 129.7 78.7 43.9 60.8 21 75 A N T 3 S- 0 0 75 45,-1.1 3,-0.1 -2,-0.4 -1,-0.1 0.891 130.3 -54.8 52.9 45.2 79.6 46.4 63.5 22 76 A G T 3 S+ 0 0 41 1,-0.2 37,-2.5 44,-0.1 2,-0.3 0.426 116.4 110.0 73.0 -0.9 82.7 44.5 64.5 23 77 A V E < -DF 20 58B 4 -3,-1.9 -3,-2.4 35,-0.2 2,-0.8 -0.802 66.1-135.9-110.1 147.6 80.8 41.3 65.1 24 78 A C E -DF 19 57B 0 33,-3.3 33,-2.0 -2,-0.3 2,-0.3 -0.898 33.6-169.2-101.6 100.8 80.9 38.1 63.0 25 79 A W E +DF 18 56B 0 -7,-2.8 -7,-2.7 -2,-0.8 2,-0.3 -0.672 15.6 152.6 -94.8 150.9 77.3 37.1 62.7 26 80 A T E - F 0 55B 0 29,-2.2 29,-2.1 -2,-0.3 2,-0.5 -0.916 47.0 -70.7-159.0-179.5 75.8 33.9 61.4 27 81 A V E >> - F 0 54B 0 -11,-0.5 3,-2.4 -2,-0.3 4,-2.1 -0.745 27.3-141.9 -91.0 127.4 72.8 31.6 61.7 28 82 A Y H 3> S+ 0 0 66 25,-1.5 4,-1.9 -2,-0.5 -1,-0.1 0.798 100.1 68.0 -51.7 -33.9 72.2 29.6 64.9 29 83 A H H 34 S+ 0 0 82 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.417 112.9 30.8 -69.5 1.5 70.9 26.7 62.8 30 84 A G H <4 S+ 0 0 2 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.614 129.3 33.0-123.1 -44.2 74.5 26.3 61.5 31 85 A A H >< S- 0 0 0 -4,-2.1 3,-1.7 1,-0.2 2,-0.4 0.844 76.9-178.0 -84.8 -37.5 76.8 27.5 64.3 32 86 A G T 3< S- 0 0 16 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.609 71.3 -38.6 72.6-126.4 74.7 26.3 67.3 33 87 A T T 3 S+ 0 0 101 -2,-0.4 -1,-0.2 15,-0.1 12,-0.2 0.085 99.1 142.9-117.8 19.6 76.6 27.4 70.3 34 88 A R < - 0 0 77 -3,-1.7 11,-0.2 1,-0.1 2,-0.2 -0.125 50.8-120.3 -62.9 155.0 80.0 26.6 68.8 35 89 A T E -i 335 0C 33 299,-0.7 301,-3.0 9,-0.1 2,-0.4 -0.605 27.9-117.1 -88.8 156.3 83.1 28.6 69.4 36 90 A I E -iJ 336 43C 5 7,-2.8 7,-3.1 -2,-0.2 301,-0.2 -0.807 33.1-109.4 -97.2 137.1 84.9 30.1 66.4 37 91 A A + 0 0 42 299,-3.2 301,-0.2 -2,-0.4 -1,-0.0 -0.422 40.3 177.4 -66.1 142.3 88.4 28.9 65.7 38 92 A S > - 0 0 44 -2,-0.1 3,-2.6 22,-0.1 299,-0.0 -0.974 43.9-113.8-143.6 149.5 91.3 31.3 66.3 39 93 A P T 3 S+ 0 0 116 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.440 122.6 48.6 -66.5 4.5 95.1 31.0 66.1 40 94 A K T 3 S- 0 0 202 1,-0.5 -3,-0.0 0, 0.0 0, 0.0 0.129 129.3 -82.9-123.5 12.0 95.1 31.5 69.9 41 95 A G S < S- 0 0 29 -3,-2.6 -1,-0.5 2,-0.0 -5,-0.1 -0.444 73.6 -22.7 110.9 174.5 92.3 28.9 70.5 42 96 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.321 54.5-150.6 -61.7 137.1 88.5 28.8 70.4 43 97 A V B -J 36 0C 47 -7,-3.1 -7,-2.8 -2,-0.1 2,-0.2 -0.917 15.1-130.0-111.7 132.6 86.6 32.1 70.8 44 98 A I - 0 0 126 -2,-0.4 -9,-0.1 -9,-0.2 -10,-0.1 -0.531 29.5 -91.0 -87.2 151.2 83.2 32.2 72.3 45 99 A Q - 0 0 20 -12,-0.2 12,-0.3 -11,-0.2 3,-0.1 -0.231 22.2-156.8 -57.1 135.0 80.1 33.8 70.9 46 100 A M S S+ 0 0 95 10,-3.0 2,-0.3 1,-0.3 11,-0.2 0.759 85.1 22.6 -79.7 -32.7 79.5 37.4 72.1 47 101 A Y E -G 56 0B 57 9,-2.1 9,-2.5 104,-0.0 2,-0.4 -0.998 61.0-177.8-138.8 141.1 75.8 36.9 71.3 48 102 A T E +G 55 0B 72 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.986 7.7 170.1-138.5 123.0 73.6 33.9 71.1 49 103 A N E >> +G 54 0B 41 5,-2.5 5,-2.1 -2,-0.4 4,-0.9 -0.735 7.9 178.6-139.0 85.3 69.9 34.4 70.1 50 104 A V T >45S+ 0 0 84 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.880 81.9 58.3 -54.8 -41.3 68.2 31.1 69.4 51 105 A D T 345S+ 0 0 162 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.904 113.1 37.1 -56.4 -46.7 64.9 32.9 68.8 52 106 A Q T 345S- 0 0 44 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.500 107.8-121.3 -86.5 -1.7 66.3 35.1 66.0 53 107 A D T <<5S+ 0 0 23 -4,-0.9 -25,-1.5 -3,-0.7 2,-0.4 0.787 70.9 137.0 64.4 31.7 68.5 32.3 64.6 54 108 A L E < +FG 27 49B 0 -5,-2.1 -5,-2.5 -27,-0.3 2,-0.3 -0.913 26.8 162.7-120.8 132.7 71.4 34.7 65.3 55 109 A V E -FG 26 48B 0 -29,-2.1 -29,-2.2 -2,-0.4 2,-0.3 -0.983 11.4-171.4-141.5 149.8 74.8 34.2 66.8 56 110 A G E -FG 25 47B 0 -9,-2.5 -10,-3.0 -2,-0.3 -9,-2.1 -1.000 9.5-173.3-148.8 143.4 77.9 36.4 66.7 57 111 A W E -F 24 0B 0 -33,-2.0 -33,-3.3 -2,-0.3 -12,-0.1 -0.686 50.7 -74.7-121.0 172.6 81.6 36.2 67.7 58 112 A P E -F 23 0B 54 0, 0.0 -35,-0.2 0, 0.0 -36,-0.1 -0.508 67.3 -89.5 -68.4 145.1 84.2 39.0 67.6 59 113 A A - 0 0 34 -37,-2.5 3,-0.1 -2,-0.1 4,-0.1 -0.384 50.1-132.3 -59.2 128.2 85.2 39.7 64.0 60 114 A P > - 0 0 31 0, 0.0 3,-0.8 0, 0.0 2,-0.2 0.118 32.3 -70.1 -69.2-175.5 88.1 37.4 63.1 61 115 A Q T 3 S+ 0 0 163 1,-0.2 3,-0.1 -59,-0.0 0, 0.0 -0.566 115.4 32.0 -82.2 143.4 91.4 38.3 61.3 62 116 A G T 3 S+ 0 0 23 1,-0.4 -59,-2.6 -2,-0.2 2,-0.3 0.569 99.2 113.0 88.5 11.3 91.4 39.2 57.7 63 117 A S B < -a 3 0A 13 -3,-0.8 -1,-0.4 -61,-0.3 2,-0.3 -0.737 46.3-167.0-116.5 161.9 87.9 40.7 58.0 64 118 A R - 0 0 93 -61,-1.4 -45,-0.3 -2,-0.3 2,-0.1 -0.973 30.6-109.7-142.4 140.9 86.4 44.2 57.7 65 119 A S - 0 0 36 -2,-0.3 2,-0.3 -47,-0.1 -45,-0.2 -0.407 20.8-129.0 -79.3 154.8 82.9 45.1 58.8 66 120 A L B -e 20 0B 7 -47,-1.9 -45,-1.1 -62,-0.2 -44,-0.1 -0.705 21.7-120.8 -96.3 152.3 79.9 46.1 56.8 67 121 A T - 0 0 44 -2,-0.3 55,-2.3 53,-0.2 3,-0.1 -0.767 28.7-116.7 -96.2 134.9 77.8 49.2 57.3 68 122 A P B -k 122 0D 13 0, 0.0 55,-0.2 0, 0.0 -1,-0.1 -0.336 36.9 -98.1 -68.5 152.1 74.1 48.7 58.1 69 123 A C + 0 0 17 53,-2.8 53,-0.0 52,-0.1 47,-0.0 -0.370 39.9 171.8 -70.3 149.7 71.6 50.1 55.6 70 124 A T + 0 0 66 -3,-0.1 -1,-0.1 -2,-0.1 53,-0.0 0.164 65.5 75.2-140.6 9.8 70.1 53.5 56.4 71 125 A C S S- 0 0 30 2,-0.1 -2,-0.0 209,-0.0 197,-0.0 0.444 87.0-136.1-104.9 -4.3 68.2 54.2 53.1 72 126 A G + 0 0 66 1,-0.2 2,-0.1 2,-0.0 51,-0.0 0.761 41.1 169.5 55.1 26.8 65.4 51.8 53.6 73 127 A S - 0 0 19 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.398 31.2-156.4 -69.7 149.7 65.6 50.6 50.1 74 128 A S + 0 0 35 -2,-0.1 16,-3.2 16,-0.1 2,-1.2 0.405 70.0 95.9-104.9 -3.9 63.6 47.5 49.1 75 129 A D E -L 89 0D 66 14,-0.2 14,-0.2 12,-0.0 2,-0.2 -0.782 62.0-178.4 -90.9 94.4 65.8 46.5 46.2 76 130 A L E -L 88 0D 1 12,-2.6 12,-2.7 -2,-1.2 2,-0.4 -0.524 20.8-152.6 -93.4 162.9 68.1 44.0 47.9 77 131 A Y E -LM 87 116D 55 39,-1.8 39,-3.2 10,-0.3 2,-0.4 -0.954 9.7-152.7-140.2 114.0 71.1 41.9 46.6 78 132 A L E -LM 86 115D 0 8,-3.2 8,-3.0 -2,-0.4 2,-0.5 -0.751 5.3-151.3 -91.3 133.0 72.0 38.6 48.1 79 133 A V E -L 85 0D 1 35,-1.8 6,-0.2 -2,-0.4 47,-0.1 -0.899 13.1-152.8-105.9 125.6 75.6 37.3 47.9 80 134 A T > - 0 0 0 4,-2.4 3,-2.2 -2,-0.5 27,-0.1 -0.392 33.8 -97.8 -90.6 172.9 76.1 33.6 47.8 81 135 A R T 3 S+ 0 0 41 1,-0.3 -1,-0.1 27,-0.2 26,-0.1 0.535 125.6 55.8 -65.7 -8.3 79.1 31.5 49.0 82 136 A H T 3 S- 0 0 106 24,-0.2 -1,-0.3 2,-0.1 286,-0.2 0.268 121.1-108.3-105.7 7.7 80.3 31.5 45.4 83 137 A A S < S+ 0 0 17 -3,-2.2 -2,-0.1 1,-0.3 2,-0.0 0.450 71.4 144.9 78.9 4.8 80.3 35.3 45.2 84 138 A D - 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