==== 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 HYDROLASE/HYDROLASE INHIBITOR 11-JUL-11 3SU1 . COMPND 2 MOLECULE: GENOME POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS SUBTYPE 1A; . AUTHOR C.A.SCHIFFER,K.P.ROMANO . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9559.0 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 . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 8.0 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 1 0 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 1 981 A S 0 0 131 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 174.7 3.9 -26.8 -7.1 2 982 A H > - 0 0 126 1,-0.2 3,-0.7 2,-0.1 4,-0.2 -0.684 360.0-173.2 -72.1 101.4 7.1 -25.0 -7.8 3 983 A M G > S+ 0 0 129 -2,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.814 71.1 65.2 -75.1 -32.9 8.6 -25.5 -4.4 4 984 A A G 3 S+ 0 0 94 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.714 105.6 45.6 -66.1 -20.3 11.8 -23.4 -4.8 5 985 A S G < S+ 0 0 78 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.356 79.2 125.3-105.2 2.6 9.7 -20.2 -5.2 6 986 A M < - 0 0 119 -3,-1.3 2,-0.1 -4,-0.2 -3,-0.0 -0.459 54.6-136.8 -64.6 132.4 7.2 -20.7 -2.3 7 987 A K - 0 0 96 -2,-0.2 2,-0.4 1,-0.0 -1,-0.1 -0.397 4.9-127.9 -89.1 165.2 7.3 -17.6 -0.0 8 988 A K - 0 0 93 -2,-0.1 2,-0.1 33,-0.0 -1,-0.0 -0.883 26.6-108.7-110.2 144.8 7.3 -17.4 3.7 9 989 A K - 0 0 159 -2,-0.4 74,-0.1 1,-0.1 2,-0.0 -0.460 38.2-118.9 -61.2 142.0 4.9 -15.4 5.9 10 990 A G - 0 0 25 -2,-0.1 2,-0.2 1,-0.1 73,-0.2 -0.230 31.2 -97.5 -72.6 169.3 6.5 -12.3 7.5 11 991 A S - 0 0 5 29,-2.5 73,-0.3 28,-0.2 2,-0.2 -0.605 35.6-103.4 -81.2 153.0 6.7 -11.9 11.2 12 992 A V B -a 84 0A 0 71,-3.1 73,-2.7 -2,-0.2 2,-0.4 -0.547 43.9-152.1 -64.3 139.9 4.3 -9.8 13.2 13 993 A V E -C 57 0B 0 44,-2.4 44,-2.3 -2,-0.2 2,-0.5 -0.982 14.4-128.2-126.0 132.3 6.2 -6.5 14.1 14 994 A I E +C 56 0B 8 -2,-0.4 42,-0.3 42,-0.2 33,-0.1 -0.668 32.0 170.0 -74.0 121.4 5.7 -4.1 17.0 15 995 A V E - 0 0 14 40,-2.9 15,-2.6 -2,-0.5 16,-1.7 0.432 58.6 -31.2-116.6 -2.1 5.2 -0.7 15.5 16 996 A G E -CD 55 29B 0 39,-1.4 39,-2.4 13,-0.3 2,-0.3 -0.975 57.3-119.1 175.6-165.5 4.1 1.3 18.6 17 997 A R E -CD 54 28B 22 11,-2.3 11,-2.7 37,-0.3 2,-0.7 -0.976 20.9-114.2-153.0 164.1 2.4 1.2 21.9 18 998 A I E -CD 53 27B 1 35,-2.4 2,-0.6 -2,-0.3 35,-0.6 -0.943 37.2-140.3-102.9 112.7 -0.5 2.6 23.9 19 999 A N E + D 0 26B 20 7,-3.1 7,-1.5 -2,-0.7 3,-0.1 -0.656 36.2 159.7 -80.4 115.7 1.1 4.6 26.7 20 1000 A L + 0 0 50 -2,-0.6 -1,-0.1 5,-0.2 5,-0.1 0.087 45.6 103.0-117.0 17.1 -0.8 4.1 29.9 21 1001 A S S S+ 0 0 102 3,-0.1 4,-0.1 2,-0.0 -1,-0.1 0.778 80.7 34.6 -77.0 -28.1 2.0 5.2 32.2 22 1002 A G S S- 0 0 54 2,-0.5 3,-0.0 -3,-0.1 0, 0.0 0.003 103.9 -77.7-107.2-152.5 0.8 8.7 33.0 23 1003 A D S S+ 0 0 112 1,-0.1 2,-0.4 -2,-0.0 -3,-0.0 0.554 113.6 59.7 -87.6 -11.1 -2.5 10.5 33.6 24 1004 A T S S- 0 0 100 2,-0.0 -2,-0.5 0, 0.0 2,-0.4 -0.975 76.1-141.5-123.5 127.7 -3.2 10.7 29.8 25 1005 A A + 0 0 33 -2,-0.4 2,-0.3 106,-0.2 -5,-0.2 -0.718 33.7 162.1 -85.5 135.1 -3.5 7.6 27.5 26 1006 A Y E -D 19 0B 109 -7,-1.5 -7,-3.1 -2,-0.4 2,-0.3 -0.989 37.2-115.9-154.4 146.8 -1.9 8.1 24.1 27 1007 A A E -D 18 0B 48 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.596 26.6-167.0 -78.7 141.3 -0.6 6.2 21.1 28 1008 A Q E -D 17 0B 54 -11,-2.7 -11,-2.3 -2,-0.3 2,-0.5 -0.999 11.9-144.5-126.3 130.9 3.1 6.3 20.2 29 1009 A Q E +D 16 0B 151 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.830 19.6 174.1 -90.7 135.5 4.6 5.1 17.0 30 1010 A T + 0 0 47 -15,-2.6 2,-0.3 -2,-0.5 -14,-0.2 0.532 66.8 33.6-115.9 -11.4 8.0 3.5 17.3 31 1011 A R S S- 0 0 44 -16,-1.7 -1,-0.3 16,-0.0 2,-0.1 -0.973 70.5-141.4-147.2 132.9 8.5 2.2 13.7 32 1012 A G > - 0 0 35 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.253 39.6 -88.9 -85.6 177.5 7.4 3.6 10.3 33 1013 A E H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.836 121.8 48.8 -62.2 -41.9 6.2 1.6 7.3 34 1014 A E H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 114.8 45.4 -64.9 -46.7 9.6 0.9 5.6 35 1015 A G H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.875 112.3 53.3 -61.3 -39.0 11.2 -0.3 8.8 36 1016 A C H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 108.8 48.6 -61.5 -47.2 8.2 -2.4 9.5 37 1017 A Q H X S+ 0 0 65 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.925 114.3 44.9 -60.5 -46.4 8.3 -4.1 6.1 38 1018 A E H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.921 114.0 49.8 -62.9 -44.4 12.1 -4.9 6.5 39 1019 A T H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.838 107.3 54.4 -65.1 -35.3 11.6 -6.1 10.1 40 1020 A S H < S+ 0 0 13 -4,-2.3 -29,-2.5 -5,-0.2 -1,-0.2 0.874 111.5 46.4 -65.2 -37.2 8.7 -8.3 9.0 41 1021 A Q H < S+ 0 0 86 -4,-1.5 -2,-0.2 -31,-0.2 -1,-0.2 0.920 123.3 31.1 -69.4 -48.6 11.0 -9.9 6.4 42 1022 A T H < S- 0 0 79 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.736 91.1-140.1 -81.5 -26.8 14.0 -10.5 8.6 43 1023 A G < + 0 0 0 -4,-2.3 43,-2.1 -5,-0.3 2,-0.7 0.609 62.3 128.1 69.4 12.0 12.2 -11.0 11.9 44 1024 A R B +j 86 0C 107 -6,-0.2 2,-0.5 -5,-0.2 -1,-0.2 -0.896 29.8 170.1-107.2 110.7 14.9 -8.9 13.5 45 1025 A D + 0 0 5 41,-1.7 43,-0.1 -2,-0.7 44,-0.1 -0.946 11.1 172.8-122.7 107.4 13.6 -6.1 15.6 46 1026 A K + 0 0 130 -2,-0.5 -1,-0.1 40,-0.1 2,-0.1 0.354 40.1 122.4 -95.8 6.0 16.2 -4.3 17.8 47 1027 A N S S- 0 0 61 1,-0.1 2,-0.2 -33,-0.1 -2,-0.1 -0.398 71.2-106.4 -67.4 142.8 13.9 -1.5 18.9 48 1028 A Q - 0 0 77 -2,-0.1 2,-0.4 -18,-0.1 62,-0.1 -0.489 33.3-145.5 -66.9 133.9 13.4 -1.1 22.6 49 1029 A V + 0 0 15 60,-0.6 2,-0.3 -2,-0.2 -32,-0.0 -0.872 22.3 172.6-102.6 139.7 10.0 -2.3 23.8 50 1030 A E + 0 0 108 -2,-0.4 61,-0.2 3,-0.1 3,-0.0 -0.980 33.8 18.7-138.6 153.5 8.1 -0.6 26.6 51 1031 A G B S-k 111 0D 18 59,-0.6 61,-1.9 -2,-0.3 3,-0.1 -0.093 76.7 -81.7 89.7-178.6 4.7 -0.9 28.2 52 1032 A E S S+ 0 0 48 -34,-0.3 15,-2.7 59,-0.2 2,-0.6 0.769 105.1 53.6 -98.7 -38.3 1.7 -3.3 28.4 53 1033 A V E -CE 18 66B 0 -35,-0.6 -35,-2.4 13,-0.2 2,-0.3 -0.931 67.3-168.6-112.3 114.8 -0.2 -2.7 25.1 54 1034 A Q E -CE 17 65B 1 11,-3.2 11,-2.3 -2,-0.6 2,-0.5 -0.746 19.7-135.4 -97.3 147.8 1.7 -2.9 21.8 55 1035 A I E -CE 16 64B 14 -39,-2.4 -40,-2.9 -2,-0.3 -39,-1.4 -0.915 34.3-172.2 -95.4 127.3 0.5 -1.8 18.4 56 1036 A V E -CE 14 63B 0 7,-2.7 7,-2.5 -2,-0.5 2,-0.3 -0.865 9.8-166.3-126.0 155.7 1.5 -4.6 16.0 57 1037 A S E -CE 13 62B 9 -44,-2.3 -44,-2.4 -2,-0.3 5,-0.2 -0.994 12.4-169.4-142.3 146.7 1.4 -5.0 12.2 58 1038 A T - 0 0 9 3,-2.9 -46,-0.1 -2,-0.3 -47,-0.0 -0.526 56.2 -85.2-108.1-170.5 1.7 -7.6 9.5 59 1039 A A S S+ 0 0 97 -2,-0.2 3,-0.1 1,-0.2 -22,-0.0 0.774 127.8 24.0 -65.8 -23.9 2.0 -6.7 5.8 60 1040 A T S S+ 0 0 113 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.580 121.3 40.1-121.0 -15.7 -1.8 -6.4 5.5 61 1041 A Q - 0 0 89 17,-0.1 -3,-2.9 18,-0.0 2,-0.4 -0.947 51.1-157.9-139.9 154.7 -3.2 -5.7 9.0 62 1042 A T E +E 57 0B 52 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.994 30.3 135.5-134.0 142.9 -2.6 -3.7 12.1 63 1043 A F E -E 56 0B 8 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.3 -0.769 45.0 -78.9-161.4-164.9 -4.0 -4.5 15.5 64 1044 A L E -E 55 0B 0 95,-2.6 11,-0.4 -9,-0.2 2,-0.3 -0.813 22.4-163.8-118.2 160.6 -3.0 -4.7 19.2 65 1045 A A E -E 54 0B 0 -11,-2.3 -11,-3.2 -2,-0.3 2,-0.4 -0.987 11.3-157.4-143.2 140.0 -1.2 -7.1 21.5 66 1046 A T E -EF 53 73B 0 7,-2.3 7,-2.9 -2,-0.3 2,-0.5 -0.966 12.4-134.5-126.8 131.2 -1.3 -7.1 25.3 67 1047 A S E + F 0 72B 1 -15,-2.7 47,-3.0 -2,-0.4 2,-0.4 -0.732 32.3 162.4 -86.2 123.6 1.2 -8.5 27.8 68 1048 A I E > -gF 114 71B 1 3,-2.4 3,-1.3 -2,-0.5 47,-0.2 -0.986 69.7 -6.4-138.1 129.1 -0.4 -10.4 30.7 69 1049 A N T 3 S- 0 0 71 45,-1.5 3,-0.1 -2,-0.4 46,-0.1 0.829 130.3 -53.6 57.4 33.3 1.5 -12.9 33.0 70 1050 A G T 3 S+ 0 0 41 1,-0.2 37,-2.3 44,-0.2 2,-0.4 0.655 116.6 107.4 79.7 14.7 4.7 -12.6 30.9 71 1051 A V E < -FH 68 106B 4 -3,-1.3 -3,-2.4 35,-0.3 2,-0.7 -0.989 65.3-137.5-125.8 133.6 3.0 -13.5 27.6 72 1052 A L E -FH 67 105B 0 33,-3.1 33,-2.2 -2,-0.4 2,-0.3 -0.858 32.9-164.6 -89.8 112.1 2.2 -11.1 24.7 73 1053 A W E +FH 66 104B 0 -7,-2.9 -7,-2.3 -2,-0.7 2,-0.3 -0.737 19.0 150.0-102.4 146.3 -1.3 -12.0 23.6 74 1054 A T E - 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