==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, HYDROLASE/INHIBITOR 12-JUL-11 3SV9 . COMPND 2 MOLECULE: NS3 PROTEASE, NS4A PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR C.A.SCHIFFER,K.P.ROMANO . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 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 . 5 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 . 1 1 4 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 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 1 982 A H 0 0 172 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -66.3 7.3 -23.9 -8.1 2 983 A M > + 0 0 136 1,-0.2 3,-1.0 2,-0.2 0, 0.0 0.853 360.0 54.2 -67.8 -33.1 8.5 -25.5 -4.9 3 984 A A T 3 S+ 0 0 106 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.693 104.7 53.5 -71.3 -21.4 11.5 -23.1 -5.2 4 985 A S T 3 S+ 0 0 93 -3,-0.1 2,-0.6 2,-0.1 -1,-0.2 0.332 76.9 129.5 -95.4 6.9 9.1 -20.1 -5.4 5 986 A M < - 0 0 126 -3,-1.0 2,-0.1 -4,-0.1 -3,-0.1 -0.500 46.4-153.6 -67.4 111.9 7.2 -21.0 -2.2 6 987 A K - 0 0 96 -2,-0.6 2,-0.3 1,-0.0 -2,-0.1 -0.322 3.3-135.8 -80.6 164.7 7.1 -17.9 -0.0 7 988 A K - 0 0 83 -2,-0.1 2,-0.1 33,-0.0 -1,-0.0 -0.915 24.8-107.7-117.1 148.8 6.8 -17.8 3.7 8 989 A K - 0 0 166 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.441 40.3-115.0 -70.8 150.4 4.5 -15.5 5.7 9 990 A G - 0 0 12 1,-0.1 2,-0.2 -2,-0.1 31,-0.2 -0.163 30.5 -94.2 -76.5 175.2 6.2 -12.8 7.6 10 991 A S - 0 0 5 29,-2.4 73,-0.2 28,-0.2 2,-0.2 -0.584 38.1-102.8 -82.8 153.3 6.4 -12.2 11.3 11 992 A V B -a 83 0A 0 71,-2.9 73,-2.6 -2,-0.2 2,-0.4 -0.568 44.4-150.7 -63.3 138.6 4.1 -10.1 13.3 12 993 A V E -C 56 0B 0 44,-2.4 44,-2.2 -2,-0.2 2,-0.5 -0.981 13.5-128.6-124.2 133.5 6.0 -6.8 14.0 13 994 A I E +C 55 0B 9 -2,-0.4 42,-0.3 42,-0.2 33,-0.1 -0.684 32.9 168.7 -76.5 121.4 5.7 -4.4 17.0 14 995 A V E - 0 0 12 40,-3.0 15,-2.5 -2,-0.5 16,-1.6 0.388 59.0 -27.6-117.3 -1.8 5.2 -1.0 15.5 15 996 A G E -CD 54 28B 0 39,-1.3 39,-2.5 13,-0.3 2,-0.3 -0.975 58.0-120.6 177.3-168.0 4.2 1.0 18.5 16 997 A R E -CD 53 27B 20 11,-2.2 11,-2.7 37,-0.3 2,-0.7 -0.977 20.3-116.2-152.1 162.5 2.6 0.9 21.9 17 998 A I E -CD 52 26B 0 35,-2.4 35,-0.6 -2,-0.3 2,-0.6 -0.932 35.4-140.8-102.6 116.1 -0.3 2.4 23.9 18 999 A N E + D 0 25B 21 7,-3.2 7,-1.6 -2,-0.7 3,-0.1 -0.693 36.4 158.7 -84.2 117.7 1.2 4.3 26.7 19 1000 A L + 0 0 47 -2,-0.6 -1,-0.1 5,-0.2 5,-0.1 0.107 42.1 107.0-119.8 16.9 -0.7 3.9 30.0 20 1001 A S S S+ 0 0 103 3,-0.1 4,-0.1 2,-0.0 -1,-0.1 0.798 79.7 24.4 -75.8 -31.6 2.1 4.9 32.3 21 1002 A G S S- 0 0 53 2,-0.5 3,-0.0 -3,-0.1 0, 0.0 -0.049 107.1 -64.3-110.7-149.2 0.9 8.4 33.4 22 1003 A D S S+ 0 0 167 1,-0.1 2,-0.4 -2,-0.1 -2,-0.0 0.653 115.1 57.3 -74.2 -19.5 -2.3 10.4 33.8 23 1004 A T S S- 0 0 87 2,-0.0 -2,-0.5 0, 0.0 2,-0.4 -0.962 72.3-143.1-126.4 126.8 -2.9 10.3 30.0 24 1005 A A + 0 0 32 -2,-0.4 2,-0.3 106,-0.2 -5,-0.2 -0.712 33.4 160.4 -83.7 134.9 -3.2 7.4 27.6 25 1006 A Y E -D 18 0B 110 -7,-1.6 -7,-3.2 -2,-0.4 2,-0.3 -0.986 37.7-115.6-155.8 149.6 -1.7 7.9 24.2 26 1007 A A E -D 17 0B 47 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.642 26.0-165.9 -84.1 139.2 -0.4 5.9 21.2 27 1008 A Q E -D 16 0B 55 -11,-2.7 -11,-2.2 -2,-0.3 2,-0.4 -0.994 11.1-144.8-123.0 133.0 3.2 6.0 20.2 28 1009 A Q E +D 15 0B 154 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.833 20.1 173.3 -95.3 137.3 4.6 4.8 17.0 29 1010 A T + 0 0 48 -15,-2.5 2,-0.3 -2,-0.4 -14,-0.2 0.511 67.1 33.2-117.7 -12.5 8.0 3.1 17.1 30 1011 A R S S- 0 0 48 -16,-1.6 -1,-0.3 16,-0.0 2,-0.1 -0.980 70.4-140.6-147.7 133.1 8.4 1.9 13.5 31 1012 A G > - 0 0 33 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.236 39.2 -89.2 -82.9 177.4 7.2 3.2 10.2 32 1013 A E H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 122.5 47.4 -62.3 -41.6 5.8 1.2 7.2 33 1014 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 114.7 47.0 -67.3 -45.6 9.0 0.5 5.3 34 1015 A G H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.877 111.2 52.8 -60.4 -40.4 10.8 -0.6 8.5 35 1016 A C H X S+ 0 0 16 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 108.5 49.5 -59.9 -47.2 7.8 -2.8 9.4 36 1017 A Q H X S+ 0 0 60 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.930 114.1 44.9 -62.4 -45.3 7.8 -4.5 6.0 37 1018 A E H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.921 113.9 49.2 -62.4 -45.8 11.6 -5.3 6.3 38 1019 A T H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.841 106.3 57.0 -65.6 -33.2 11.3 -6.5 9.9 39 1020 A S H < S+ 0 0 9 -4,-2.4 -29,-2.4 -5,-0.2 -1,-0.2 0.884 110.4 45.0 -64.6 -36.3 8.4 -8.7 9.0 40 1021 A Q H < S+ 0 0 139 -4,-1.4 -2,-0.2 -31,-0.2 -1,-0.2 0.905 122.6 33.6 -75.5 -42.8 10.6 -10.5 6.4 41 1022 A T H < S- 0 0 89 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.785 89.0-144.0 -80.2 -29.4 13.7 -10.9 8.5 42 1023 A G < + 0 0 0 -4,-2.5 43,-2.2 -5,-0.3 2,-0.7 0.564 60.7 126.7 69.0 11.1 11.9 -11.4 11.8 43 1024 A R B +j 85 0C 50 41,-0.2 2,-0.5 -6,-0.2 -1,-0.2 -0.888 31.1 171.0-105.3 109.6 14.8 -9.4 13.4 44 1025 A D + 0 0 5 41,-1.6 43,-0.1 -2,-0.7 44,-0.1 -0.929 12.1 174.3-122.7 106.0 13.6 -6.5 15.5 45 1026 A K + 0 0 87 -2,-0.5 -1,-0.1 40,-0.1 3,-0.1 0.383 40.2 122.5 -91.1 3.7 16.2 -4.7 17.6 46 1027 A N S S- 0 0 59 -33,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.352 70.3-107.0 -65.9 147.8 13.9 -1.9 18.8 47 1028 A Q - 0 0 77 -18,-0.1 2,-0.4 62,-0.0 62,-0.1 -0.531 33.0-146.5 -69.5 135.8 13.5 -1.4 22.5 48 1029 A V + 0 0 17 60,-0.6 2,-0.3 -2,-0.2 -32,-0.0 -0.891 22.6 170.2-106.4 139.9 10.1 -2.6 23.8 49 1030 A E + 0 0 111 -2,-0.4 61,-0.2 3,-0.1 3,-0.1 -0.967 34.1 24.3-139.6 156.4 8.3 -0.9 26.7 50 1031 A G B S-k 110 0D 18 59,-0.6 61,-1.7 -2,-0.3 -32,-0.1 -0.036 76.6 -84.6 89.0 177.0 4.8 -1.1 28.2 51 1032 A E S S+ 0 0 47 -34,-0.3 15,-2.6 59,-0.2 2,-0.5 0.747 104.7 53.9 -96.5 -35.0 1.9 -3.5 28.5 52 1033 A V E -CE 17 65B 0 -35,-0.6 -35,-2.4 13,-0.2 2,-0.3 -0.950 67.8-167.3-115.2 117.9 -0.0 -2.9 25.3 53 1034 A Q E -CE 16 64B 1 11,-3.1 11,-2.2 -2,-0.5 2,-0.5 -0.771 19.3-134.7-101.8 146.5 1.8 -3.2 21.9 54 1035 A I E -CE 15 63B 7 -39,-2.5 -40,-3.0 -2,-0.3 -39,-1.3 -0.913 34.5-171.9 -96.2 125.4 0.6 -2.1 18.5 55 1036 A V E -CE 13 62B 0 7,-2.6 7,-2.6 -2,-0.5 2,-0.3 -0.874 9.7-164.3-124.6 153.3 1.4 -4.9 16.1 56 1037 A S E -CE 12 61B 10 -44,-2.2 -44,-2.4 -2,-0.3 5,-0.2 -0.988 11.5-171.4-138.4 145.6 1.2 -5.4 12.3 57 1038 A T - 0 0 10 3,-2.7 -46,-0.1 -2,-0.3 -47,-0.1 -0.514 56.8 -82.7-106.7-170.8 1.2 -8.0 9.7 58 1039 A A S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.2 -22,-0.0 0.790 128.0 21.5 -61.5 -28.7 1.5 -7.3 5.9 59 1040 A T S S+ 0 0 117 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.654 120.6 44.8-117.4 -19.7 -2.3 -6.7 5.8 60 1041 A Q - 0 0 79 17,-0.1 -3,-2.7 96,-0.0 2,-0.4 -0.921 50.7-157.7-131.9 151.8 -3.6 -5.8 9.3 61 1042 A T E +E 56 0B 56 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.995 33.9 136.6-125.9 136.7 -2.7 -3.7 12.3 62 1043 A F E -E 55 0B 4 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.3 -0.740 44.6 -80.5-156.4-163.3 -4.1 -4.6 15.8 63 1044 A L E -E 54 0B 0 95,-2.7 11,-0.4 -9,-0.2 2,-0.3 -0.786 21.3-163.7-119.3 162.0 -3.0 -4.9 19.4 64 1045 A A E -E 53 0B 0 -11,-2.2 -11,-3.1 -2,-0.3 2,-0.4 -0.988 12.2-155.5-143.1 141.4 -1.2 -7.3 21.7 65 1046 A T E -EF 52 72B 0 7,-2.4 7,-3.0 -2,-0.3 2,-0.5 -0.968 11.2-135.5-128.1 129.6 -1.3 -7.3 25.5 66 1047 A S E + F 0 71B 0 -15,-2.6 47,-2.9 -2,-0.4 2,-0.4 -0.762 30.4 165.3 -86.7 124.1 1.2 -8.7 28.0 67 1048 A I E > S-gF 113 70B 2 3,-2.5 3,-1.1 -2,-0.5 47,-0.2 -0.985 70.0 -10.8-139.3 124.3 -0.3 -10.6 31.0 68 1049 A N T 3 S- 0 0 72 45,-1.5 3,-0.1 -2,-0.4 46,-0.1 0.850 129.6 -51.9 53.8 41.2 1.8 -12.8 33.3 69 1050 A G T 3 S+ 0 0 40 1,-0.2 37,-2.3 44,-0.2 2,-0.4 0.623 116.4 106.9 75.1 16.4 4.8 -12.7 31.0 70 1051 A V E < -FH 67 105B 4 -3,-1.1 -3,-2.5 35,-0.3 2,-0.7 -0.988 64.6-138.9-123.4 132.9 3.0 -13.7 27.8 71 1052 A L E -FH 66 104B 0 33,-3.1 33,-2.2 -2,-0.4 2,-0.3 -0.857 32.6-164.3 -90.1 111.6 2.2 -11.3 25.0 72 1053 A W E +FH 65 103B 0 -7,-3.0 -7,-2.4 -2,-0.7 2,-0.3 -0.734 19.3 151.3-103.0 144.8 -1.3 -12.2 23.9 73 1054 A T E - 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