==== 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 3SV8 . COMPND 2 MOLECULE: NS3 PROTEASE, NS4A PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR C.A.SCHIFFER,K.P.ROMANO . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 36.1 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 2.1 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 0.5 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 . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 9.3 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 2 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 . 4 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 1 989 A K 0 0 146 0, 0.0 2,-0.2 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0-135.4 -14.9 -3.8 3.7 2 990 A G - 0 0 16 32,-0.0 73,-0.3 31,-0.0 2,-0.2 -0.681 360.0 -90.9 147.8 153.5 -17.4 -1.6 1.8 3 991 A S - 0 0 5 29,-2.2 2,-0.3 -2,-0.2 73,-0.2 -0.629 36.8-113.4 -86.8 149.5 -17.6 1.0 -1.1 4 992 A V B -a 76 0A 0 71,-2.9 73,-2.9 -2,-0.2 2,-0.4 -0.647 38.8-148.2 -74.4 144.3 -17.2 4.7 -0.7 5 993 A V E -C 49 0B 0 44,-2.1 44,-2.0 -2,-0.3 2,-0.5 -0.965 12.1-126.8-125.9 127.4 -20.6 6.2 -1.6 6 994 A I E +C 48 0B 8 -2,-0.4 42,-0.3 71,-0.3 33,-0.1 -0.664 31.1 170.3 -72.2 118.9 -21.3 9.6 -3.1 7 995 A V E - 0 0 17 40,-2.9 15,-1.7 -2,-0.5 16,-1.1 0.218 63.1 -23.2-112.9 9.4 -23.8 11.3 -0.8 8 996 A G E -CD 47 21B 0 39,-0.9 39,-1.0 13,-0.3 2,-0.3 -0.985 57.1-120.7 168.3-163.1 -23.6 14.7 -2.5 9 997 A R E -CD 46 20B 30 11,-1.4 11,-2.2 37,-0.3 2,-0.4 -0.980 8.7-139.0-171.3 142.5 -21.8 17.2 -4.7 10 998 A I E -CD 45 19B 0 35,-3.4 35,-1.5 -2,-0.3 34,-0.9 -0.991 18.8-150.3-117.6 125.1 -20.4 20.7 -4.8 11 999 A N E + D 0 18B 16 7,-1.8 7,-1.1 -2,-0.4 -2,-0.0 -0.859 21.0 171.0 -95.9 128.6 -20.9 22.9 -8.0 12 1000 A L + 0 0 40 -2,-0.5 5,-0.1 5,-0.2 -1,-0.1 0.134 56.4 92.4-118.3 12.8 -18.2 25.4 -8.7 13 1001 A S S S+ 0 0 67 3,-0.1 -1,-0.1 2,-0.0 4,-0.1 0.843 78.6 54.8 -79.4 -39.4 -19.4 26.4 -12.2 14 1002 A G S S- 0 0 57 2,-0.3 3,-0.1 1,-0.0 0, 0.0 0.180 104.7 -77.1 -86.4-158.6 -21.6 29.4 -11.4 15 1003 A D S S+ 0 0 170 1,-0.2 2,-0.3 2,-0.0 -1,-0.0 0.746 114.0 26.9 -76.7 -28.2 -21.2 32.6 -9.5 16 1004 A T S S- 0 0 116 -5,-0.0 -2,-0.3 2,-0.0 -1,-0.2 -1.000 82.5-117.2-140.2 140.0 -21.4 31.1 -6.0 17 1005 A A + 0 0 28 -2,-0.3 2,-0.3 106,-0.2 -5,-0.2 -0.480 36.0 177.5 -75.8 141.5 -20.5 27.6 -4.8 18 1006 A Y E -D 11 0B 113 -7,-1.1 -7,-1.8 -2,-0.2 2,-0.3 -0.990 20.9-134.8-145.5 150.3 -23.3 25.5 -3.3 19 1007 A A E -D 10 0B 45 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.815 12.3-166.4-103.5 141.8 -23.7 22.0 -1.9 20 1008 A Q E -D 9 0B 73 -11,-2.2 -11,-1.4 -2,-0.3 2,-0.5 -0.995 11.6-148.8-123.6 127.0 -26.5 19.4 -2.6 21 1009 A Q E +D 8 0B 91 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.806 19.4 173.8 -84.2 130.9 -27.0 16.3 -0.5 22 1010 A T + 0 0 44 -15,-1.7 2,-0.3 -2,-0.5 -14,-0.2 0.315 61.7 37.0-120.8 6.3 -28.4 13.5 -2.7 23 1011 A R - 0 0 44 -16,-1.1 -1,-0.3 3,-0.0 2,-0.0 -0.923 68.5-141.7-161.9 134.8 -28.4 10.6 -0.2 24 1012 A G > - 0 0 52 -2,-0.3 4,-1.7 -3,-0.1 5,-0.2 -0.147 37.7 -89.7 -90.4-175.7 -29.1 10.1 3.5 25 1013 A E H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.815 123.8 44.8 -66.3 -36.9 -27.5 8.0 6.3 26 1014 A E H > S+ 0 0 86 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.886 115.5 46.1 -76.3 -42.9 -29.8 5.0 5.7 27 1015 A G H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.719 112.5 51.4 -72.1 -25.1 -29.5 5.0 1.9 28 1016 A C H X S+ 0 0 13 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.883 106.5 53.0 -75.4 -44.2 -25.7 5.4 2.0 29 1017 A Q H X S+ 0 0 64 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.839 112.6 47.8 -55.6 -36.1 -25.3 2.5 4.5 30 1018 A E H X S+ 0 0 55 -4,-1.2 4,-0.8 1,-0.2 3,-0.4 0.918 111.9 46.5 -71.2 -47.4 -27.3 0.4 1.9 31 1019 A T H X S+ 0 0 15 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.705 103.2 63.0 -73.8 -23.9 -25.3 1.5 -1.2 32 1020 A S H < S+ 0 0 17 -4,-1.8 -29,-2.2 1,-0.2 -1,-0.2 0.886 105.4 47.7 -64.8 -37.2 -21.9 1.0 0.4 33 1021 A Q H < S+ 0 0 145 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.678 118.3 37.8 -82.4 -21.8 -22.7 -2.8 0.7 34 1022 A T H < S- 0 0 92 -4,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.836 88.2-145.5 -90.2 -42.6 -24.0 -3.3 -2.8 35 1023 A G < + 0 0 1 -4,-2.2 43,-2.0 1,-0.3 2,-0.5 0.441 63.2 116.9 83.6 2.2 -21.5 -1.0 -4.6 36 1024 A R B +j 78 0C 131 41,-0.2 2,-0.4 -5,-0.2 -1,-0.3 -0.914 36.4 172.0-107.2 123.1 -24.3 -0.1 -7.1 37 1025 A D - 0 0 7 41,-3.2 44,-0.1 -2,-0.5 43,-0.1 -0.951 13.8-176.7-135.9 112.2 -25.3 3.5 -7.2 38 1026 A K + 0 0 176 -2,-0.4 2,-0.1 41,-0.1 -1,-0.1 0.248 42.4 125.3 -94.4 10.7 -27.7 4.6 -9.9 39 1027 A N - 0 0 65 1,-0.1 2,-0.3 -33,-0.1 -2,-0.1 -0.376 67.7-105.1 -76.1 149.7 -27.8 8.4 -8.9 40 1028 A Q - 0 0 78 -2,-0.1 2,-0.4 62,-0.0 62,-0.1 -0.553 35.2-147.8 -70.5 132.2 -26.9 11.2 -11.4 41 1029 A V + 0 0 22 60,-0.5 2,-0.3 -2,-0.3 -32,-0.1 -0.821 26.1 157.1-102.3 140.9 -23.5 12.7 -10.8 42 1030 A E + 0 0 69 -2,-0.4 61,-0.2 3,-0.1 -32,-0.2 -0.967 29.9 47.4-152.2 163.6 -22.6 16.4 -11.4 43 1031 A G S S- 0 0 1 59,-0.4 61,-1.6 -2,-0.3 -32,-0.2 -0.045 74.9 -94.1 93.7 167.9 -20.0 18.9 -10.2 44 1032 A E S S+ 0 0 9 -34,-0.9 15,-2.2 59,-0.2 2,-0.4 0.854 107.5 47.8 -86.6 -41.8 -16.3 19.1 -9.7 45 1033 A V E S-CE 10 58B 0 -35,-1.5 -35,-3.4 13,-0.2 2,-0.4 -0.878 71.9-157.6-109.2 132.0 -16.2 18.1 -6.0 46 1034 A Q E -CE 9 57B 1 11,-3.3 11,-1.7 -2,-0.4 2,-0.7 -0.873 16.2-132.5-106.9 143.1 -18.2 15.1 -4.6 47 1035 A I E -CE 8 56B 5 -39,-1.0 -40,-2.9 -2,-0.4 -39,-0.9 -0.867 36.7-172.9 -90.9 117.8 -19.3 14.6 -1.0 48 1036 A V E -CE 6 55B 0 7,-3.2 7,-3.0 -2,-0.7 2,-0.3 -0.820 11.2-159.8-118.1 152.8 -18.3 11.0 -0.2 49 1037 A S E -CE 5 54B 10 -44,-2.0 -44,-2.1 -2,-0.3 5,-0.2 -0.973 11.9-174.4-131.9 143.7 -18.9 8.7 2.8 50 1038 A T - 0 0 11 3,-2.6 -18,-0.1 -2,-0.3 21,-0.1 -0.339 58.4 -83.4-102.4-162.7 -17.4 5.5 4.3 51 1039 A A S S+ 0 0 102 -2,-0.2 -22,-0.1 1,-0.1 3,-0.0 0.839 127.9 23.8 -71.4 -33.3 -19.2 3.8 7.3 52 1040 A T S S+ 0 0 126 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.815 120.4 48.0 -99.1 -37.5 -17.6 6.2 9.8 53 1041 A Q - 0 0 87 17,-0.1 -3,-2.6 96,-0.0 2,-0.4 -0.737 50.2-158.8-121.1 152.5 -16.6 9.4 7.9 54 1042 A T E +E 49 0B 59 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.996 35.1 137.4-127.4 127.3 -18.0 11.9 5.4 55 1043 A F E -E 48 0B 6 -7,-3.0 -7,-3.2 -2,-0.4 2,-0.2 -0.757 44.4 -78.7-152.0-170.1 -15.5 14.0 3.3 56 1044 A L E -E 47 0B 0 95,-2.0 11,-0.4 -9,-0.2 2,-0.3 -0.585 23.5-167.0-104.6 163.6 -14.8 15.4 -0.2 57 1045 A A E -E 46 0B 0 -11,-1.7 -11,-3.3 -2,-0.2 2,-0.4 -0.974 13.1-152.4-147.1 145.9 -13.3 14.0 -3.4 58 1046 A T E -EF 45 65B 0 7,-3.6 7,-3.5 -2,-0.3 2,-0.6 -0.976 9.8-136.9-134.4 127.3 -12.2 16.1 -6.4 59 1047 A S E + F 0 64B 0 -15,-2.2 47,-3.1 -2,-0.4 2,-0.4 -0.713 29.6 165.7 -84.1 120.0 -12.0 15.4 -10.1 60 1048 A I E > S-gF 106 63B 1 3,-2.4 3,-1.2 -2,-0.6 47,-0.2 -0.984 70.6 -9.5-134.4 127.2 -8.8 16.6 -11.8 61 1049 A N T 3 S- 0 0 75 45,-1.4 -1,-0.1 -2,-0.4 46,-0.1 0.885 131.0 -50.9 53.1 45.4 -7.8 15.5 -15.3 62 1050 A G T 3 S+ 0 0 29 1,-0.2 37,-2.7 44,-0.1 2,-0.4 0.489 117.3 105.5 78.4 7.2 -10.5 12.8 -15.5 63 1051 A V E < -FH 60 98B 4 -3,-1.2 -3,-2.4 35,-0.2 2,-0.8 -0.978 66.2-136.1-121.8 127.8 -9.7 11.2 -12.1 64 1052 A L E -FH 59 97B 0 33,-2.6 33,-2.3 -2,-0.4 2,-0.3 -0.748 32.5-166.2 -79.3 109.9 -11.7 11.5 -8.9 65 1053 A W E +FH 58 96B 1 -7,-3.5 -7,-3.6 -2,-0.8 2,-0.2 -0.773 17.7 153.0 -99.9 143.4 -9.1 12.1 -6.2 66 1054 A T E - H 0 95B 0 29,-2.4 29,-2.1 -2,-0.3 2,-0.2 -0.860 47.0 -67.6-144.3-172.8 -9.4 11.9 -2.4 67 1055 A V E > - H 0 94B 0 -11,-0.4 4,-2.6 -2,-0.2 3,-0.4 -0.574 27.3-144.5 -79.6 142.4 -7.3 11.2 0.7 68 1056 A Y H > S+ 0 0 78 25,-1.6 4,-2.2 -2,-0.2 26,-0.1 0.862 99.2 62.2 -71.9 -38.8 -6.0 7.7 1.4 69 1057 A H H 4 S+ 0 0 75 24,-0.3 -1,-0.2 1,-0.2 25,-0.1 0.681 117.0 32.3 -63.3 -19.6 -6.5 8.1 5.2 70 1058 A G H 4 S+ 0 0 5 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.821 129.3 32.9 -94.4 -50.8 -10.2 8.5 4.5 71 1059 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -3,-0.2 0.837 79.6 178.5 -82.4 -37.0 -10.8 6.3 1.4 72 1060 A G T 3< - 0 0 13 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.412 66.4 -37.5 67.0-143.9 -8.2 3.5 2.0 73 1061 A T T 3 S+ 0 0 110 -2,-0.1 12,-0.3 15,-0.1 -1,-0.2 0.278 99.0 139.6 -95.7 10.0 -8.2 0.8 -0.7 74 1062 A R < - 0 0 84 -3,-1.3 -71,-0.2 1,-0.1 2,-0.1 -0.114 51.8-124.3 -60.5 146.3 -12.0 0.9 -1.0 75 1063 A T - 0 0 40 -73,-0.3 -71,-2.9 9,-0.1 2,-0.4 -0.336 26.0-119.7 -72.0 164.3 -13.9 0.7 -4.3 76 1064 A I B -aB 4 83A 10 7,-1.6 7,-2.5 -73,-0.2 2,-0.2 -0.949 25.1-115.8-110.1 136.1 -16.3 3.5 -5.2 77 1065 A A + 0 0 3 -73,-2.9 -71,-0.3 -2,-0.4 -41,-0.2 -0.543 47.1 165.1 -69.6 131.8 -20.0 2.7 -5.7 78 1066 A S B > -j 36 0C 16 -43,-2.0 -41,-3.2 -2,-0.2 3,-1.0 -0.771 53.0 -94.0-137.4 179.2 -21.1 3.3 -9.3 79 1067 A P T 3 S+ 0 0 78 0, 0.0 -41,-0.1 0, 0.0 -43,-0.1 0.676 125.4 46.7 -74.5 -16.6 -23.9 2.5 -11.7 80 1068 A K T 3 S- 0 0 196 1,-0.5 -44,-0.1 -45,-0.1 -42,-0.1 0.082 126.1 -94.5-103.8 19.2 -22.0 -0.5 -13.1 81 1069 A G S < S- 0 0 3 -3,-1.0 -1,-0.5 -46,-0.2 -46,-0.2 -0.365 77.8 -9.6 89.1-176.3 -21.2 -1.8 -9.6 82 1070 A P - 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