==== 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 3SV7 . COMPND 2 MOLECULE: NS3 PROTEASE, NS4A PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR C.A.SCHIFFER,K.P.ROMANO . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 67.8 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 34.7 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 . 18 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.9 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 1 980 A G 0 0 136 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.2 2.5 -30.8 -7.9 2 981 A S - 0 0 90 5,-0.0 2,-0.9 0, 0.0 5,-0.0 -0.951 360.0 -93.8-167.9 160.2 3.9 -27.3 -7.3 3 982 A H > - 0 0 124 -2,-0.3 3,-0.8 1,-0.2 4,-0.2 -0.732 37.3-171.2 -86.7 105.7 7.2 -25.4 -7.7 4 983 A M G > S+ 0 0 134 -2,-0.9 3,-1.3 1,-0.2 -1,-0.2 0.807 75.1 63.2 -72.3 -33.4 8.8 -25.8 -4.3 5 984 A A G 3 S+ 0 0 90 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.734 105.8 47.1 -65.4 -23.3 11.7 -23.4 -4.6 6 985 A S G < S+ 0 0 82 -3,-0.8 2,-0.3 2,-0.1 -1,-0.3 0.383 78.7 125.5-100.5 2.0 9.4 -20.4 -5.1 7 986 A M < - 0 0 120 -3,-1.3 2,-0.1 -4,-0.2 -3,-0.0 -0.488 54.2-141.8 -64.2 121.7 7.1 -21.2 -2.2 8 987 A K - 0 0 94 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.388 3.5-132.1 -81.8 160.4 7.0 -18.1 0.0 9 988 A K - 0 0 82 -2,-0.1 2,-0.2 33,-0.0 -1,-0.0 -0.869 26.2-108.4-107.9 148.1 6.9 -18.0 3.8 10 989 A K - 0 0 162 -2,-0.3 74,-0.2 1,-0.1 0, 0.0 -0.510 40.3-114.7 -70.1 144.2 4.5 -15.9 5.8 11 990 A G - 0 0 13 -2,-0.2 2,-0.2 1,-0.1 31,-0.2 -0.184 30.0 -98.9 -69.3 167.6 6.1 -13.0 7.5 12 991 A S - 0 0 5 29,-2.5 73,-0.2 28,-0.2 2,-0.2 -0.589 36.8-102.7 -79.8 152.1 6.4 -12.5 11.2 13 992 A V B -a 85 0A 0 71,-3.0 73,-2.7 -2,-0.2 2,-0.4 -0.548 44.4-151.1 -62.5 138.8 4.1 -10.3 13.3 14 993 A V E -C 58 0B 0 44,-2.2 44,-2.2 -2,-0.2 2,-0.6 -0.981 13.6-128.8-125.3 132.7 5.9 -7.1 13.9 15 994 A I E +C 57 0B 8 -2,-0.4 42,-0.3 42,-0.2 33,-0.1 -0.702 33.1 168.2 -77.0 120.7 5.6 -4.7 16.9 16 995 A V E - 0 0 10 40,-2.9 15,-2.5 -2,-0.6 16,-1.6 0.349 59.1 -26.1-115.8 -0.0 5.1 -1.2 15.3 17 996 A G E -CD 56 30B 1 39,-1.2 39,-2.4 13,-0.3 2,-0.3 -0.974 57.7-121.2 174.8-171.7 4.1 0.8 18.4 18 997 A R E -CD 55 29B 21 11,-2.2 11,-2.6 37,-0.3 2,-0.7 -0.976 20.9-116.9-151.8 158.8 2.5 0.7 21.8 19 998 A I E -CD 54 28B 0 35,-2.4 2,-0.6 -2,-0.3 35,-0.6 -0.936 37.1-140.0 -98.2 115.4 -0.4 2.2 23.7 20 999 A N E + D 0 27B 18 7,-3.3 7,-1.7 -2,-0.7 32,-0.0 -0.694 38.1 157.4 -83.8 116.4 1.2 4.2 26.4 21 1000 A L + 0 0 48 -2,-0.6 -1,-0.1 5,-0.2 5,-0.1 0.123 44.5 101.9-119.9 13.5 -0.7 3.8 29.7 22 1001 A S S S+ 0 0 100 3,-0.1 4,-0.1 2,-0.0 -1,-0.1 0.828 80.2 38.1 -74.9 -33.6 2.2 4.7 32.1 23 1002 A G S S- 0 0 52 2,-0.5 3,-0.0 -3,-0.0 0, 0.0 0.043 106.5 -76.7 -98.1-154.6 1.2 8.2 32.9 24 1003 A D S S+ 0 0 114 1,-0.1 2,-0.4 2,-0.0 -2,-0.0 0.523 113.6 61.2 -81.1 -8.7 -2.0 10.1 33.6 25 1004 A T S S- 0 0 99 2,-0.0 -2,-0.5 0, 0.0 2,-0.4 -0.980 74.3-140.7-130.9 128.5 -2.8 10.2 29.8 26 1005 A A + 0 0 33 -2,-0.4 2,-0.3 106,-0.2 -5,-0.2 -0.702 35.2 157.8 -84.8 132.6 -3.3 7.3 27.4 27 1006 A Y E -D 20 0B 110 -7,-1.7 -7,-3.3 -2,-0.4 2,-0.3 -0.978 39.2-115.7-157.6 147.2 -1.7 7.7 23.9 28 1007 A A E -D 19 0B 44 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.611 26.1-167.1 -81.3 137.4 -0.4 5.7 21.0 29 1008 A Q E -D 18 0B 54 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.5 -0.995 11.5-145.1-123.5 132.6 3.3 5.8 20.0 30 1009 A Q E +D 17 0B 152 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.850 19.9 173.9 -96.5 136.4 4.6 4.5 16.8 31 1010 A T + 0 0 47 -15,-2.5 2,-0.3 -2,-0.5 -14,-0.2 0.529 67.5 33.2-116.9 -12.3 8.0 2.9 16.9 32 1011 A R S S- 0 0 48 -16,-1.6 -1,-0.3 -18,-0.1 2,-0.1 -0.981 70.8-142.4-146.2 133.7 8.4 1.6 13.4 33 1012 A G > - 0 0 33 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.262 39.5 -86.7 -86.2-179.4 7.1 3.0 10.0 34 1013 A E H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 122.8 47.0 -61.2 -45.6 5.8 1.0 7.0 35 1014 A E H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 115.4 47.0 -64.3 -46.9 9.0 0.2 5.2 36 1015 A G H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.886 110.9 52.7 -57.9 -42.0 10.7 -0.9 8.4 37 1016 A C H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.945 109.0 49.0 -62.4 -47.7 7.7 -3.0 9.3 38 1017 A Q H X S+ 0 0 58 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.939 114.2 45.2 -57.7 -48.3 7.8 -4.8 5.9 39 1018 A E H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.918 113.7 49.6 -61.2 -44.5 11.5 -5.6 6.1 40 1019 A T H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.833 105.6 56.9 -67.4 -32.3 11.2 -6.7 9.7 41 1020 A S H < S+ 0 0 9 -4,-2.2 -29,-2.5 -5,-0.2 -1,-0.2 0.891 110.4 45.3 -64.7 -37.3 8.3 -9.0 8.9 42 1021 A Q H < S+ 0 0 139 -4,-1.5 -2,-0.2 -31,-0.2 -1,-0.2 0.922 122.5 33.3 -73.3 -44.7 10.5 -10.8 6.3 43 1022 A T H < S- 0 0 88 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.803 89.2-143.1 -79.5 -29.9 13.6 -11.2 8.4 44 1023 A G < + 0 0 0 -4,-2.5 43,-2.2 -5,-0.3 2,-0.7 0.547 60.8 127.7 70.4 10.5 11.9 -11.6 11.8 45 1024 A R B +j 87 0C 51 41,-0.2 2,-0.5 -6,-0.2 -1,-0.2 -0.882 29.7 169.3-104.6 110.5 14.8 -9.6 13.2 46 1025 A D + 0 0 5 41,-1.8 43,-0.1 -2,-0.7 44,-0.1 -0.933 12.2 175.4-125.6 103.2 13.6 -6.7 15.3 47 1026 A K + 0 0 88 -2,-0.5 -1,-0.1 40,-0.1 2,-0.0 0.396 41.1 123.5 -87.2 3.6 16.2 -4.9 17.4 48 1027 A N - 0 0 59 1,-0.1 2,-0.2 -33,-0.1 -2,-0.1 -0.336 69.5-108.1 -67.7 145.8 13.9 -2.2 18.6 49 1028 A Q - 0 0 77 -18,-0.1 2,-0.4 62,-0.0 62,-0.1 -0.489 32.9-147.6 -67.2 135.2 13.4 -1.6 22.4 50 1029 A V + 0 0 16 60,-0.6 2,-0.3 -2,-0.2 -32,-0.0 -0.902 22.2 169.9-106.3 139.6 10.0 -2.8 23.6 51 1030 A E + 0 0 106 -2,-0.4 61,-0.2 3,-0.1 3,-0.1 -0.973 33.3 25.4-140.3 157.4 8.2 -1.1 26.4 52 1031 A G B S-k 112 0D 18 59,-0.6 61,-1.8 -2,-0.3 -32,-0.1 -0.045 76.0 -84.8 88.1 176.4 4.7 -1.2 28.0 53 1032 A E S S+ 0 0 45 -34,-0.3 15,-2.8 59,-0.2 2,-0.6 0.725 105.0 52.7 -97.4 -32.3 1.8 -3.6 28.3 54 1033 A V E -CE 19 67B 0 -35,-0.6 -35,-2.4 13,-0.2 2,-0.3 -0.952 68.8-166.4-116.8 117.1 -0.2 -3.1 25.1 55 1034 A Q E -CE 18 66B 1 11,-2.9 11,-2.3 -2,-0.6 2,-0.6 -0.757 19.1-134.5 -99.1 147.0 1.7 -3.4 21.8 56 1035 A I E -CE 17 65B 5 -39,-2.4 -40,-2.9 -2,-0.3 -39,-1.2 -0.902 34.9-171.9 -95.3 124.7 0.5 -2.3 18.3 57 1036 A V E -CE 15 64B 0 7,-2.7 7,-2.7 -2,-0.6 2,-0.4 -0.888 10.4-159.1-125.0 153.9 1.3 -5.1 16.0 58 1037 A S E -CE 14 63B 9 -44,-2.2 -44,-2.2 -2,-0.3 5,-0.2 -0.985 10.9-172.2-136.2 140.0 1.2 -5.6 12.2 59 1038 A T - 0 0 10 3,-2.8 -46,-0.1 -2,-0.4 -47,-0.1 -0.439 57.3 -82.6-101.1-169.1 1.0 -8.3 9.7 60 1039 A A S S+ 0 0 96 -2,-0.2 3,-0.1 1,-0.2 -22,-0.0 0.814 127.5 21.6 -64.0 -31.2 1.3 -7.6 5.9 61 1040 A T S S+ 0 0 121 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.696 121.2 44.2-111.3 -23.3 -2.3 -6.7 5.6 62 1041 A Q - 0 0 101 17,-0.1 -3,-2.8 96,-0.0 2,-0.4 -0.887 51.1-155.3-134.3 154.2 -3.6 -5.7 9.1 63 1042 A T E +E 58 0B 55 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.997 34.2 135.6-127.4 132.1 -2.7 -3.7 12.2 64 1043 A F E -E 57 0B 6 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.3 -0.708 44.7 -76.2-153.7-159.0 -4.1 -4.6 15.6 65 1044 A L E -E 56 0B 0 95,-2.6 11,-0.4 -9,-0.2 2,-0.3 -0.764 21.4-166.0-120.1 158.8 -3.1 -5.0 19.3 66 1045 A A E -E 55 0B 0 -11,-2.3 -11,-2.9 -2,-0.3 2,-0.4 -0.989 14.1-152.8-140.2 144.1 -1.4 -7.5 21.5 67 1046 A T E -EF 54 74B 0 7,-2.5 7,-2.9 -2,-0.3 2,-0.5 -0.955 10.1-135.7-127.3 129.8 -1.5 -7.5 25.3 68 1047 A S E + F 0 73B 0 -15,-2.8 47,-3.2 -2,-0.4 2,-0.4 -0.759 30.8 165.1 -85.8 123.0 1.1 -8.8 27.9 69 1048 A I E > -gF 115 72B 0 3,-2.4 3,-1.1 -2,-0.5 47,-0.2 -0.982 69.6 -11.9-137.7 124.7 -0.5 -10.7 30.8 70 1049 A N T 3 S- 0 0 79 45,-1.8 3,-0.1 -2,-0.4 46,-0.1 0.857 129.3 -50.5 53.5 41.2 1.6 -12.9 33.1 71 1050 A G T 3 S+ 0 0 39 1,-0.2 37,-2.3 44,-0.2 2,-0.4 0.616 117.0 104.2 79.0 15.0 4.7 -12.8 30.9 72 1051 A V E < -FH 69 107B 6 -3,-1.1 -3,-2.4 35,-0.3 2,-0.7 -0.990 65.4-138.5-128.0 134.1 2.9 -13.8 27.6 73 1052 A L E -FH 68 106B 0 33,-3.0 33,-2.3 -2,-0.4 2,-0.3 -0.875 32.9-164.6 -93.4 114.7 2.1 -11.4 24.8 74 1053 A W E +FH 67 105B 0 -7,-2.9 -7,-2.5 -2,-0.7 2,-0.3 -0.756 19.4 150.8-105.9 145.0 -1.4 -12.4 23.7 75 1054 A T E - 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