==== 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 3SV6 . COMPND 2 MOLECULE: NS3 PROTEASE, NS4A PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR C.A.SCHIFFER,K.P.ROMANO . 203 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 34.5 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 . 19 9.4 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 . 19 9.4 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 0 1 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 0 135 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.6 2.5 -30.9 -7.9 2 981 A S - 0 0 81 5,-0.0 2,-1.0 0, 0.0 5,-0.1 -0.954 360.0 -90.8-168.7 161.2 4.0 -27.4 -7.4 3 982 A H > - 0 0 130 -2,-0.3 3,-0.9 1,-0.2 4,-0.2 -0.699 37.5-172.2 -85.5 106.1 7.3 -25.5 -7.7 4 983 A M G > S+ 0 0 130 -2,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.837 75.1 64.4 -71.7 -36.4 8.8 -25.8 -4.2 5 984 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.682 106.2 46.6 -61.9 -19.8 11.8 -23.5 -4.6 6 985 A S G < S+ 0 0 82 -3,-0.9 2,-0.4 2,-0.1 -1,-0.3 0.366 79.7 123.4-105.0 3.4 9.4 -20.5 -5.1 7 986 A M < - 0 0 124 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.531 53.3-145.3 -67.5 122.4 7.1 -21.3 -2.2 8 987 A K - 0 0 95 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.404 2.7-134.3 -83.5 162.1 7.0 -18.2 0.0 9 988 A K - 0 0 93 -2,-0.1 2,-0.1 33,-0.0 -1,-0.0 -0.871 27.0-104.2-111.4 152.0 6.6 -18.2 3.8 10 989 A K - 0 0 164 -2,-0.3 74,-0.2 1,-0.1 -1,-0.0 -0.473 41.6-114.2 -70.8 146.3 4.3 -15.9 5.8 11 990 A G - 0 0 25 -2,-0.1 2,-0.2 1,-0.1 31,-0.2 -0.180 30.9 -97.4 -71.0 169.6 6.0 -13.0 7.5 12 991 A S - 0 0 5 29,-2.5 73,-0.3 28,-0.2 2,-0.2 -0.573 37.5-101.6 -80.3 154.3 6.3 -12.5 11.2 13 992 A V B -a 85 0A 0 71,-3.0 73,-2.8 -2,-0.2 2,-0.4 -0.559 44.0-150.9 -65.4 139.6 4.0 -10.3 13.3 14 993 A V E -C 58 0B 0 44,-2.3 44,-2.3 -2,-0.2 2,-0.5 -0.978 13.2-129.8-123.9 129.2 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 -0.700 32.6 169.3 -73.8 119.0 5.6 -4.7 16.9 16 995 A V E - 0 0 12 40,-3.0 15,-2.6 -2,-0.5 16,-1.6 0.362 58.7 -29.4-114.8 -0.9 5.1 -1.3 15.3 17 996 A G E -CD 56 30B 0 39,-1.3 39,-2.4 13,-0.3 2,-0.3 -0.975 58.0-118.4 175.6-167.8 4.1 0.8 18.4 18 997 A R E -CD 55 29B 21 11,-2.2 11,-2.8 37,-0.3 2,-0.7 -0.975 20.5-116.7-152.8 159.8 2.4 0.7 21.7 19 998 A I E -CD 54 28B 1 35,-2.3 35,-0.6 -2,-0.3 2,-0.6 -0.934 37.3-140.5 -99.1 112.9 -0.5 2.2 23.6 20 999 A N E + D 0 27B 20 7,-3.2 7,-1.6 -2,-0.7 32,-0.0 -0.655 37.4 158.1 -81.8 118.5 1.2 4.1 26.4 21 1000 A L + 0 0 44 -2,-0.6 -1,-0.1 5,-0.2 5,-0.1 0.153 44.7 101.7-121.1 13.0 -0.8 3.8 29.7 22 1001 A S S S+ 0 0 99 3,-0.1 4,-0.1 2,-0.0 -1,-0.1 0.841 79.8 39.0 -73.5 -36.0 2.1 4.6 32.1 23 1002 A G S S- 0 0 53 2,-0.5 3,-0.0 -3,-0.0 0, 0.0 0.164 106.9 -77.9 -94.0-151.2 1.1 8.2 32.9 24 1003 A D S S+ 0 0 111 1,-0.1 2,-0.4 2,-0.0 -2,-0.0 0.410 113.8 62.0 -88.1 -1.5 -2.1 10.0 33.5 25 1004 A T S S- 0 0 100 2,-0.0 -2,-0.5 0, 0.0 2,-0.4 -0.991 74.1-141.5-134.5 127.9 -2.8 10.1 29.8 26 1005 A A + 0 0 34 -2,-0.4 2,-0.3 106,-0.2 -5,-0.2 -0.745 34.3 158.5 -86.5 133.6 -3.3 7.2 27.3 27 1006 A Y E -D 20 0B 109 -7,-1.6 -7,-3.2 -2,-0.4 2,-0.3 -0.984 38.4-116.1-155.9 148.8 -1.7 7.7 23.9 28 1007 A A E -D 19 0B 45 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.649 25.9-165.7 -83.1 138.9 -0.4 5.7 20.9 29 1008 A Q E -D 18 0B 55 -11,-2.8 -11,-2.2 -2,-0.3 2,-0.4 -0.996 10.6-145.1-122.2 132.0 3.2 5.8 20.0 30 1009 A Q E +D 17 0B 151 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.832 20.1 173.0 -94.1 134.4 4.6 4.5 16.7 31 1010 A T + 0 0 46 -15,-2.6 2,-0.3 -2,-0.4 -14,-0.2 0.525 67.4 33.7-115.6 -11.7 8.0 2.8 16.9 32 1011 A R S S- 0 0 49 -16,-1.6 -1,-0.3 -18,-0.1 2,-0.1 -0.981 70.7-141.3-146.6 132.6 8.4 1.5 13.3 33 1012 A G > - 0 0 34 -2,-0.3 4,-2.4 -3,-0.1 5,-0.1 -0.245 39.6 -88.4 -83.8 179.8 7.1 2.9 9.9 34 1013 A E H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.854 122.4 48.0 -64.4 -42.3 5.7 0.9 7.0 35 1014 A E H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.945 114.6 46.9 -65.5 -46.7 8.9 0.2 5.1 36 1015 A G H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.878 110.6 53.8 -57.6 -40.8 10.7 -1.0 8.3 37 1016 A C H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.951 108.4 48.4 -62.1 -48.0 7.6 -3.1 9.2 38 1017 A Q H X S+ 0 0 65 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.934 114.6 45.5 -58.7 -46.1 7.7 -4.9 5.8 39 1018 A E H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.925 113.4 49.0 -63.1 -45.4 11.4 -5.6 6.1 40 1019 A T H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.831 106.5 56.5 -67.1 -32.2 11.2 -6.8 9.7 41 1020 A S H < S+ 0 0 11 -4,-2.3 -29,-2.5 -5,-0.2 -1,-0.2 0.901 110.8 45.7 -65.0 -37.4 8.2 -9.1 8.8 42 1021 A Q H < S+ 0 0 86 -4,-1.6 -2,-0.2 -31,-0.2 -1,-0.2 0.933 122.3 33.1 -70.8 -48.5 10.4 -10.8 6.2 43 1022 A T H < S- 0 0 88 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.786 89.9-141.5 -79.3 -27.9 13.5 -11.2 8.3 44 1023 A G < + 0 0 0 -4,-2.4 43,-2.1 -5,-0.3 2,-0.7 0.558 61.6 128.0 70.2 11.4 11.8 -11.7 11.7 45 1024 A R B +j 87 0C 52 41,-0.2 2,-0.5 -6,-0.2 -1,-0.2 -0.879 28.9 168.2-107.8 109.4 14.6 -9.6 13.2 46 1025 A D + 0 0 5 41,-1.8 43,-0.1 -2,-0.7 44,-0.1 -0.940 11.4 174.6-125.2 106.8 13.4 -6.7 15.3 47 1026 A K + 0 0 88 -2,-0.5 -1,-0.1 40,-0.1 2,-0.0 0.366 40.6 123.7 -91.4 3.0 16.1 -5.0 17.4 48 1027 A N - 0 0 59 1,-0.1 2,-0.2 -33,-0.1 -2,-0.1 -0.335 69.5-106.3 -68.3 147.6 13.8 -2.2 18.6 49 1028 A Q - 0 0 76 -18,-0.1 2,-0.4 62,-0.0 -1,-0.1 -0.502 33.6-148.3 -67.7 133.4 13.3 -1.6 22.3 50 1029 A V + 0 0 16 60,-0.6 2,-0.3 -2,-0.2 -32,-0.0 -0.898 21.6 169.7-105.2 139.6 9.9 -2.8 23.6 51 1030 A E + 0 0 105 -2,-0.4 61,-0.2 3,-0.1 3,-0.1 -0.974 33.1 23.3-140.6 157.9 8.1 -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 -0.055 76.4 -82.9 86.3 178.7 4.7 -1.3 28.0 53 1032 A E S S+ 0 0 43 -34,-0.3 15,-2.7 59,-0.2 2,-0.5 0.732 105.2 52.7 -95.9 -35.0 1.7 -3.6 28.3 54 1033 A V E -CE 19 67B 0 -35,-0.6 -35,-2.3 13,-0.2 2,-0.3 -0.953 68.7-165.6-115.6 118.2 -0.2 -3.1 25.0 55 1034 A Q E -CE 18 66B 0 11,-2.9 11,-2.2 -2,-0.5 2,-0.6 -0.751 18.9-134.4-101.2 144.9 1.7 -3.4 21.7 56 1035 A I E -CE 17 65B 5 -39,-2.4 -40,-3.0 -2,-0.3 -39,-1.3 -0.900 35.4-172.1 -92.6 124.4 0.5 -2.3 18.3 57 1036 A V E -CE 15 64B 0 7,-2.8 7,-2.8 -2,-0.6 2,-0.4 -0.888 11.1-160.6-125.2 153.7 1.3 -5.1 15.9 58 1037 A S E -CE 14 63B 8 -44,-2.3 -44,-2.3 -2,-0.3 5,-0.2 -0.983 10.2-170.4-135.7 142.9 1.2 -5.6 12.2 59 1038 A T - 0 0 7 3,-2.5 -46,-0.1 -2,-0.4 -47,-0.1 -0.399 58.7 -78.7-102.6-165.6 1.0 -8.5 9.7 60 1039 A A S S+ 0 0 94 -2,-0.2 3,-0.1 1,-0.2 -22,-0.1 0.802 128.2 18.1 -66.1 -29.3 1.5 -7.8 5.9 61 1040 A T S S+ 0 0 122 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.635 120.4 48.8-118.6 -20.8 -2.1 -6.6 5.5 62 1041 A Q - 0 0 106 17,-0.1 -3,-2.5 96,-0.0 2,-0.4 -0.900 51.6-154.7-133.4 154.4 -3.5 -5.7 9.0 63 1042 A T E +E 58 0B 54 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.995 33.5 135.2-127.4 130.9 -2.7 -3.7 12.2 64 1043 A F E -E 57 0B 8 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.3 -0.659 44.8 -78.1-152.1-157.5 -4.1 -4.6 15.6 65 1044 A L E -E 56 0B 0 95,-2.8 11,-0.4 -9,-0.2 2,-0.3 -0.777 20.8-165.1-121.3 161.3 -3.1 -5.0 19.2 66 1045 A A E -E 55 0B 0 -11,-2.2 -11,-2.9 -2,-0.3 2,-0.4 -0.986 14.4-152.1-142.5 144.5 -1.4 -7.5 21.5 67 1046 A T E -EF 54 74B 0 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.966 9.9-135.7-127.6 128.6 -1.5 -7.5 25.3 68 1047 A S E + F 0 73B 0 -15,-2.7 47,-3.0 -2,-0.4 2,-0.4 -0.753 30.9 164.9 -86.0 124.3 1.0 -8.8 27.8 69 1048 A I E > -gF 115 72B 2 3,-2.4 3,-1.1 -2,-0.5 47,-0.2 -0.984 69.2 -10.7-139.6 124.4 -0.5 -10.7 30.8 70 1049 A N T 3 S- 0 0 69 45,-1.8 3,-0.1 -2,-0.4 46,-0.1 0.842 129.8 -50.8 54.5 40.3 1.5 -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 0.638 117.0 104.6 79.5 15.0 4.6 -12.8 30.9 72 1051 A V E < -FH 69 107B 4 -3,-1.1 -3,-2.4 35,-0.3 2,-0.7 -0.991 65.2-137.8-128.1 133.6 2.9 -13.8 27.7 73 1052 A L E -FH 68 106B 0 33,-3.1 33,-2.2 -2,-0.4 2,-0.3 -0.867 33.5-165.6 -91.9 112.9 2.0 -11.4 24.8 74 1053 A W E +FH 67 105B 0 -7,-2.8 -7,-2.4 -2,-0.7 2,-0.3 -0.757 19.2 151.3-104.3 145.4 -1.5 -12.4 23.7 75 1054 A T E - 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