==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 19-APR-10 2KWT . COMPND 2 MOLECULE: PROTEASE NS2-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR R.MONTSERRET,R.BARTENSCHLAGER,F.PENIN . 33 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 54.5 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 . 1 3.0 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 . 4 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 39.4 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 0 0 0 0 1 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 1 A K 0 0 242 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 47.3 -24.5 -3.9 2.4 2 2 A L - 0 0 133 1,-0.5 3,-0.1 2,-0.0 0, 0.0 -0.678 360.0 -18.2-170.4 110.5 -25.1 -0.4 3.9 3 3 A F S S+ 0 0 157 -2,-0.2 -1,-0.5 1,-0.1 0, 0.0 0.579 117.1 5.1 62.5 139.5 -22.8 2.8 3.4 4 4 A L S S+ 0 0 131 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 -0.226 71.9 120.7 54.7-145.0 -19.2 2.5 2.2 5 5 A A + 0 0 50 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.735 69.9 73.9 62.2 21.7 -18.2 -1.2 1.3 6 6 A R S > S+ 0 0 177 3,-0.0 3,-0.6 2,-0.0 4,-0.4 0.616 96.5 33.8-127.1 -57.2 -17.4 0.0 -2.3 7 7 A L T 3> S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.552 92.7 95.2 -81.2 -5.3 -14.1 2.0 -2.3 8 8 A I H 3> S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 84.6 50.6 -51.5 -44.6 -12.6 -0.3 0.5 9 9 A W H <> S+ 0 0 183 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.918 107.4 53.1 -61.5 -42.0 -10.9 -2.4 -2.2 10 10 A W H > S+ 0 0 173 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.913 108.5 50.4 -60.4 -41.2 -9.4 0.7 -3.9 11 11 A L H X S+ 0 0 99 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.937 109.6 50.1 -63.5 -44.7 -7.9 1.8 -0.5 12 12 A Q H X S+ 0 0 86 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.898 103.2 61.2 -61.1 -39.1 -6.4 -1.7 0.0 13 13 A Y H X S+ 0 0 163 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.889 109.4 41.9 -55.8 -39.4 -4.8 -1.5 -3.5 14 14 A F H X S+ 0 0 116 -4,-1.3 4,-3.1 -3,-0.4 5,-0.2 0.857 108.4 59.1 -78.7 -34.0 -2.8 1.5 -2.4 15 15 A I H X S+ 0 0 98 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.949 108.8 45.0 -60.2 -46.8 -1.9 0.1 1.0 16 16 A T H X S+ 0 0 81 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 114.3 49.5 -64.1 -39.9 -0.1 -2.9 -0.6 17 17 A R H X S+ 0 0 151 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.948 112.5 47.4 -64.5 -46.1 1.6 -0.5 -3.1 18 18 A A H X S+ 0 0 41 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.931 110.2 52.3 -61.0 -45.4 2.7 1.8 -0.3 19 19 A E H X S+ 0 0 104 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.893 104.8 56.5 -59.5 -38.9 4.0 -1.2 1.8 20 20 A A H < S+ 0 0 63 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.920 110.7 43.4 -60.2 -42.1 6.1 -2.4 -1.3 21 21 A H H >< S+ 0 0 120 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.783 105.5 64.9 -74.3 -25.5 7.9 1.0 -1.5 22 22 A L H >< S+ 0 0 117 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.828 94.5 59.3 -67.4 -30.7 8.3 1.0 2.4 23 23 A Q T 3< S+ 0 0 126 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.025 83.7 86.2 -89.0 34.7 10.6 -2.1 2.2 24 24 A V T < S+ 0 0 82 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.1 0.629 88.6 43.5-106.1 -17.8 13.2 -0.3 -0.0 25 25 A W S < S+ 0 0 224 -3,-0.7 -2,-0.1 -4,-0.2 -1,-0.1 0.304 82.7 118.3-109.6 8.9 15.3 1.5 2.7 26 26 A I - 0 0 117 -4,-0.1 -3,-0.0 1,-0.1 -4,-0.0 -0.623 64.2-127.5 -80.2 132.4 15.6 -1.4 5.2 27 27 A P > - 0 0 57 0, 0.0 3,-0.8 0, 0.0 2,-0.3 -0.680 20.6-129.2 -81.5 122.1 19.2 -2.6 5.8 28 28 A P T 3 S- 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.547 87.7 -2.2 -73.1 126.4 19.6 -6.4 5.3 29 29 A L T 3 S+ 0 0 178 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 0.965 88.3 139.6 58.1 54.8 21.3 -8.1 8.4 30 30 A N < + 0 0 122 -3,-0.8 2,-0.2 2,-0.0 -1,-0.1 0.827 48.1 71.5 -95.4 -39.7 21.8 -4.8 10.3 31 31 A V S S- 0 0 118 -4,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.501 75.8-136.8 -79.1 147.9 21.0 -5.9 13.9 32 32 A R 0 0 245 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.852 360.0 360.0 -72.2 -33.3 23.4 -8.1 15.8 33 33 A G 0 0 124 -3,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.246 360.0 360.0 126.4 360.0 20.6 -10.4 17.1