==== 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 22-APR-10 2KWZ . COMPND 2 MOLECULE: PROTEASE NS2-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR R.MONTSERRET,R.BARTENSCHLAGER,F.PENIN . 40 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 65.0 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 . 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 . 2 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 42.5 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 1 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 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 G 0 0 95 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-141.2 6.0 -6.0 -27.1 2 2 A R + 0 0 166 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.387 360.0 60.4-110.5-169.2 6.5 -9.0 -24.7 3 3 A D S S+ 0 0 168 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.858 116.8 39.7 55.5 36.7 9.6 -11.1 -23.7 4 4 A A S > S+ 0 0 57 -3,-0.2 4,-2.2 0, 0.0 5,-0.2 0.106 100.9 62.2-172.6 -50.1 11.3 -7.9 -22.3 5 5 A V H > S+ 0 0 63 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.913 102.8 54.9 -61.0 -42.3 8.7 -5.7 -20.5 6 6 A I H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 109.7 47.6 -58.5 -41.4 8.0 -8.5 -17.9 7 7 A L H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 114.5 46.2 -66.8 -40.0 11.8 -8.6 -17.2 8 8 A L H X S+ 0 0 108 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.803 106.0 60.6 -73.3 -27.9 11.9 -4.7 -16.9 9 9 A T H < S+ 0 0 52 -4,-2.6 8,-0.2 1,-0.2 -2,-0.2 0.926 113.2 35.4 -66.7 -43.3 8.7 -4.7 -14.7 10 10 A C H < S+ 0 0 78 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.705 124.5 44.1 -84.1 -18.5 10.4 -6.8 -12.0 11 11 A A H < S+ 0 0 59 -4,-1.2 2,-0.7 1,-0.2 -2,-0.2 0.807 110.0 54.0 -94.7 -33.5 13.9 -5.2 -12.5 12 12 A I S < S- 0 0 93 -4,-2.8 -1,-0.2 1,-0.2 5,-0.1 -0.855 134.3 -32.0-107.9 105.0 12.9 -1.5 -12.8 13 13 A H S >> S+ 0 0 129 -2,-0.7 4,-1.8 -3,-0.1 3,-0.7 0.960 72.5 169.2 53.6 61.4 10.8 -0.3 -9.7 14 14 A P H 3> S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.856 72.3 59.7 -70.3 -35.9 9.0 -3.7 -9.0 15 15 A E H 34 S+ 0 0 170 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.635 111.1 42.8 -69.0 -10.6 7.6 -2.5 -5.6 16 16 A L H <> S+ 0 0 104 -3,-0.7 4,-1.8 2,-0.1 -1,-0.2 0.826 110.3 51.2-101.4 -43.8 5.7 0.3 -7.5 17 17 A I H X S+ 0 0 50 -4,-1.8 4,-2.3 -8,-0.2 5,-0.2 0.915 107.8 54.5 -61.8 -41.7 4.4 -1.5 -10.6 18 18 A F H X S+ 0 0 165 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.926 107.4 50.8 -58.6 -42.6 2.8 -4.3 -8.3 19 19 A T H > S+ 0 0 74 -4,-0.3 4,-2.2 -5,-0.2 -1,-0.2 0.902 108.2 52.9 -62.4 -39.4 1.0 -1.5 -6.4 20 20 A I H X S+ 0 0 90 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.926 105.9 53.1 -63.5 -43.3 -0.3 -0.1 -9.7 21 21 A T H X S+ 0 0 69 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.919 108.7 50.4 -58.9 -42.0 -1.7 -3.5 -10.8 22 22 A K H X S+ 0 0 162 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.952 115.1 42.1 -61.8 -47.3 -3.6 -3.7 -7.4 23 23 A I H X S+ 0 0 95 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.864 106.7 64.6 -67.9 -33.6 -5.1 -0.2 -8.0 24 24 A L H >< S+ 0 0 98 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.916 104.0 45.7 -56.1 -43.2 -5.7 -1.1 -11.7 25 25 A L H >< S+ 0 0 136 -4,-1.8 3,-0.5 1,-0.2 4,-0.4 0.839 114.3 49.2 -69.6 -30.6 -8.2 -3.8 -10.6 26 26 A A H 3< S+ 0 0 77 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.544 93.1 77.0 -85.2 -7.2 -9.8 -1.3 -8.1 27 27 A I T << S+ 0 0 123 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.711 83.1 67.1 -76.5 -18.6 -10.1 1.4 -10.8 28 28 A L S < S- 0 0 138 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.986 84.3-156.6 -66.1 -57.4 -13.2 -0.3 -12.4 29 29 A G > - 0 0 16 -4,-0.4 4,-1.9 3,-0.1 5,-0.1 0.956 11.0-160.2 77.3 83.3 -15.6 0.3 -9.5 30 30 A P H > S+ 0 0 107 0, 0.0 4,-0.6 0, 0.0 -1,-0.0 0.871 95.9 43.2 -62.5 -37.2 -18.4 -2.3 -9.6 31 31 A L H >4 S+ 0 0 128 1,-0.2 3,-1.3 2,-0.2 -2,-0.1 0.917 109.5 56.9 -75.0 -42.2 -20.6 -0.1 -7.4 32 32 A M H >4 S+ 0 0 138 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.867 97.1 63.7 -56.8 -35.7 -19.7 3.1 -9.3 33 33 A V H >< S+ 0 0 100 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.850 100.5 53.0 -58.6 -31.0 -20.9 1.4 -12.5 34 34 A L T << S+ 0 0 124 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.278 110.2 48.8 -87.6 13.1 -24.4 1.4 -10.8 35 35 A Q T X S+ 0 0 90 -3,-2.3 2,-1.0 3,-0.1 3,-0.6 0.058 71.4 127.6-137.8 25.7 -24.1 5.2 -10.1 36 36 A A T < S- 0 0 79 -3,-0.7 -3,-0.0 1,-0.3 -4,-0.0 -0.739 96.0 -14.7 -89.1 103.6 -23.1 6.6 -13.5 37 37 A G T 3 S+ 0 0 71 -2,-1.0 -1,-0.3 1,-0.2 2,-0.2 0.957 104.2 148.9 70.1 48.8 -25.6 9.5 -14.3 38 38 A I < + 0 0 75 -3,-0.6 -1,-0.2 1,-0.2 -3,-0.1 -0.712 41.1 33.6-112.1 164.9 -28.0 8.2 -11.6 39 39 A T 0 0 137 -2,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.991 360.0 360.0 55.4 69.6 -30.5 10.1 -9.3 40 40 A K 0 0 253 -3,-0.2 -2,-0.1 0, 0.0 -1,-0.0 0.672 360.0 360.0-125.8 360.0 -31.5 12.9 -11.8