==== 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 3SU2 . COMPND 2 MOLECULE: GENOME POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS SUBTYPE 1A; . AUTHOR C.A.SCHIFFER,K.P.ROMANO . 198 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 35.4 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 . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 8.1 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 1 982 A H > 0 0 110 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -82.7 6.4 -24.8 -7.4 2 983 A M G > + 0 0 151 1,-0.3 3,-1.3 2,-0.2 0, 0.0 0.843 360.0 55.2 -66.9 -42.0 8.4 -25.5 -4.3 3 984 A A G 3 S+ 0 0 113 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.689 112.0 45.6 -66.9 -18.8 11.6 -23.4 -4.8 4 985 A S G < S+ 0 0 92 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.387 79.7 126.6-105.3 0.7 9.6 -20.2 -5.3 5 986 A M < - 0 0 135 -3,-1.3 2,-0.1 -4,-0.4 -3,-0.0 -0.414 52.5-139.4 -64.1 130.4 7.1 -20.7 -2.4 6 987 A K - 0 0 200 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.363 3.3-131.8 -86.4 167.2 7.1 -17.6 -0.1 7 988 A K - 0 0 193 -2,-0.1 2,-0.1 33,-0.0 -1,-0.0 -0.928 24.9-113.3-115.3 143.9 7.0 -17.4 3.7 8 989 A K - 0 0 146 -2,-0.4 74,-0.2 1,-0.1 2,-0.0 -0.492 38.2-115.5 -70.2 146.2 4.7 -15.1 5.6 9 990 A G - 0 0 24 -2,-0.1 31,-0.2 1,-0.1 2,-0.2 -0.191 31.7 -93.6 -73.4 173.1 6.4 -12.3 7.4 10 991 A S - 0 0 4 29,-2.6 73,-0.2 28,-0.2 2,-0.2 -0.513 37.5-102.1 -81.2 155.3 6.5 -11.9 11.2 11 992 A V B -a 83 0A 0 71,-3.0 73,-2.8 -2,-0.2 2,-0.4 -0.580 44.4-152.1 -65.5 140.6 4.2 -9.7 13.2 12 993 A V E -C 56 0B 0 44,-2.5 44,-2.2 -2,-0.2 2,-0.5 -0.982 14.9-127.6-127.0 131.6 6.0 -6.5 14.1 13 994 A I E +C 55 0B 7 -2,-0.4 42,-0.3 71,-0.2 33,-0.1 -0.660 33.4 168.3 -71.5 119.7 5.6 -4.2 17.0 14 995 A V E - 0 0 12 40,-2.9 15,-2.6 -2,-0.5 16,-1.7 0.395 58.9 -28.0-115.6 -2.0 5.2 -0.7 15.5 15 996 A G E -CD 54 28B 0 39,-1.3 39,-2.4 13,-0.3 2,-0.3 -0.976 57.4-122.2 176.0-169.3 4.1 1.3 18.6 16 997 A R E -CD 53 27B 19 11,-2.3 11,-2.8 37,-0.3 2,-0.7 -0.978 20.9-114.2-154.0 162.2 2.4 1.2 21.9 17 998 A I E -CD 52 26B 0 35,-2.4 2,-0.6 -2,-0.3 35,-0.6 -0.939 35.9-140.6-100.8 114.4 -0.5 2.6 24.0 18 999 A N E + D 0 25B 20 7,-3.0 7,-1.5 -2,-0.7 3,-0.1 -0.673 36.3 158.6 -80.6 116.7 1.1 4.6 26.8 19 1000 A L + 0 0 50 -2,-0.6 -1,-0.1 5,-0.2 5,-0.1 0.097 45.5 101.3-118.6 16.6 -0.8 4.1 30.0 20 1001 A S S S+ 0 0 101 3,-0.1 4,-0.1 2,-0.0 -1,-0.1 0.781 80.9 35.8 -79.2 -28.1 2.0 5.1 32.4 21 1002 A G S S- 0 0 55 2,-0.5 3,-0.0 -3,-0.1 0, 0.0 0.096 104.8 -76.5-103.8-149.5 0.9 8.7 33.2 22 1003 A D S S+ 0 0 112 1,-0.1 2,-0.4 2,-0.0 -3,-0.0 0.528 113.9 59.8 -88.3 -10.9 -2.3 10.6 33.7 23 1004 A T S S- 0 0 100 2,-0.0 -2,-0.5 0, 0.0 2,-0.4 -0.978 74.1-143.7-125.9 128.7 -3.0 10.6 29.9 24 1005 A A + 0 0 33 -2,-0.4 2,-0.3 106,-0.2 -5,-0.2 -0.764 33.6 159.2 -89.1 133.3 -3.4 7.6 27.6 25 1006 A Y E -D 18 0B 107 -7,-1.5 -7,-3.0 -2,-0.4 2,-0.3 -0.992 39.0-114.3-155.0 148.7 -1.9 8.1 24.2 26 1007 A A E -D 17 0B 47 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.617 27.2-166.4 -81.3 141.3 -0.6 6.2 21.2 27 1008 A Q E -D 16 0B 54 -11,-2.8 -11,-2.3 -2,-0.3 2,-0.4 -0.999 11.5-144.4-126.0 132.5 3.1 6.3 20.3 28 1009 A Q E +D 15 0B 150 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.799 19.8 174.0 -93.0 136.0 4.5 5.1 17.0 29 1010 A T + 0 0 46 -15,-2.6 2,-0.3 -2,-0.4 -14,-0.2 0.526 67.9 31.5-115.8 -12.1 8.0 3.5 17.3 30 1011 A R S S- 0 0 46 -16,-1.7 -1,-0.3 16,-0.0 2,-0.1 -0.974 71.7-138.5-148.0 134.7 8.4 2.2 13.7 31 1012 A G > - 0 0 33 -2,-0.3 4,-2.5 -3,-0.1 5,-0.1 -0.244 37.8 -91.2 -84.2 178.5 7.1 3.5 10.3 32 1013 A E H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.844 121.6 48.7 -64.9 -42.0 5.7 1.5 7.4 33 1014 A E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 114.7 45.7 -64.4 -45.4 9.0 0.9 5.5 34 1015 A G H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.874 111.3 54.2 -64.5 -37.7 10.8 -0.2 8.6 35 1016 A C H X S+ 0 0 12 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.940 107.6 49.2 -59.1 -49.6 7.8 -2.4 9.4 36 1017 A Q H X S+ 0 0 64 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.922 114.2 45.5 -57.9 -45.9 7.9 -4.1 6.0 37 1018 A E H X S+ 0 0 57 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.918 113.3 49.3 -62.5 -45.2 11.7 -4.8 6.3 38 1019 A T H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.831 107.0 55.4 -67.5 -33.3 11.4 -6.1 9.9 39 1020 A S H < S+ 0 0 10 -4,-2.4 -29,-2.6 -5,-0.2 -1,-0.2 0.897 110.5 46.7 -65.5 -38.0 8.5 -8.4 9.0 40 1021 A Q H < S+ 0 0 85 -4,-1.5 -2,-0.2 -31,-0.2 -1,-0.2 0.923 122.3 32.6 -70.1 -46.6 10.6 -10.0 6.3 41 1022 A T H < S- 0 0 88 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.796 90.5-142.1 -80.0 -30.2 13.8 -10.5 8.4 42 1023 A G < + 0 0 0 -4,-2.5 43,-2.1 -5,-0.3 2,-0.7 0.585 61.3 126.6 72.2 11.1 12.0 -11.1 11.8 43 1024 A R B +j 85 0C 49 -5,-0.2 2,-0.5 41,-0.2 -1,-0.2 -0.895 31.2 171.9-107.5 109.2 14.8 -9.0 13.4 44 1025 A D + 0 0 5 41,-1.6 43,-0.1 -2,-0.7 44,-0.1 -0.930 11.3 172.2-121.4 106.6 13.5 -6.2 15.5 45 1026 A K + 0 0 88 -2,-0.5 -1,-0.1 40,-0.1 3,-0.1 0.401 40.7 121.4 -91.0 0.6 16.1 -4.4 17.6 46 1027 A N S S- 0 0 63 1,-0.1 2,-0.2 -33,-0.1 -33,-0.1 -0.353 71.3-104.6 -68.7 144.9 13.8 -1.6 18.8 47 1028 A Q - 0 0 140 -18,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.477 33.2-147.7 -67.7 134.8 13.2 -1.1 22.5 48 1029 A V + 0 0 13 60,-0.6 2,-0.3 -2,-0.2 -32,-0.0 -0.867 21.1 171.7-105.6 139.1 9.9 -2.3 23.7 49 1030 A E + 0 0 83 -2,-0.4 61,-0.2 3,-0.1 3,-0.1 -0.979 34.1 17.2-140.1 153.0 8.0 -0.7 26.6 50 1031 A G B S-k 110 0D 17 59,-0.6 61,-1.7 -2,-0.3 -32,-0.1 -0.037 77.3 -80.1 88.0-179.0 4.6 -1.0 28.2 51 1032 A E S S+ 0 0 47 -34,-0.3 15,-2.7 59,-0.2 2,-0.6 0.759 105.2 53.4 -97.6 -35.7 1.7 -3.4 28.4 52 1033 A V E -CE 17 65B 0 -35,-0.6 -35,-2.4 13,-0.2 2,-0.3 -0.947 67.6-167.5-114.9 116.4 -0.2 -2.8 25.1 53 1034 A Q E -CE 16 64B 0 11,-3.1 11,-2.3 -2,-0.6 2,-0.5 -0.755 19.5-134.8 -99.5 146.6 1.7 -2.9 21.9 54 1035 A I E -CE 15 63B 13 -39,-2.4 -40,-2.9 -2,-0.3 -39,-1.3 -0.909 35.2-172.5 -94.5 125.9 0.5 -1.8 18.4 55 1036 A V E -CE 13 62B 0 7,-2.6 7,-2.5 -2,-0.5 2,-0.3 -0.855 10.0-169.1-124.5 157.5 1.4 -4.6 16.0 56 1037 A S E -CE 12 61B 15 -44,-2.2 -44,-2.5 -2,-0.3 5,-0.2 -0.996 13.0-167.4-145.0 149.1 1.3 -5.0 12.2 57 1038 A T - 0 0 8 3,-2.9 -46,-0.1 -2,-0.3 -47,-0.1 -0.496 55.9 -84.0-108.9-167.8 1.6 -7.6 9.5 58 1039 A A S S+ 0 0 94 -2,-0.2 3,-0.1 1,-0.2 -22,-0.1 0.778 128.5 23.4 -64.3 -25.8 2.0 -6.7 5.8 59 1040 A T S S+ 0 0 112 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.568 121.0 40.9-121.8 -16.4 -1.8 -6.4 5.5 60 1041 A Q - 0 0 93 17,-0.1 -3,-2.9 18,-0.0 2,-0.4 -0.946 50.9-156.8-140.9 155.7 -3.2 -5.7 9.0 61 1042 A T E +E 56 0B 53 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.993 30.6 134.5-134.2 141.1 -2.7 -3.7 12.1 62 1043 A F E -E 55 0B 8 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.3 -0.777 44.9 -79.9-161.0-165.3 -4.1 -4.5 15.5 63 1044 A L E -E 54 0B 0 95,-2.6 11,-0.4 -9,-0.2 2,-0.3 -0.815 22.3-162.8-118.1 160.8 -3.1 -4.7 19.2 64 1045 A A E -E 53 0B 0 -11,-2.3 -11,-3.1 -2,-0.3 2,-0.4 -0.989 10.3-155.5-141.9 142.7 -1.3 -7.1 21.5 65 1046 A T E -EF 52 72B 0 7,-2.3 7,-2.8 -2,-0.3 2,-0.5 -0.969 11.6-135.9-126.1 128.9 -1.4 -7.2 25.3 66 1047 A S E + F 0 71B 0 -15,-2.7 47,-2.9 -2,-0.4 2,-0.4 -0.738 31.1 164.5 -85.5 123.8 1.1 -8.6 27.8 67 1048 A I E > -gF 113 70B 2 3,-2.5 3,-1.3 -2,-0.5 47,-0.2 -0.987 69.7 -9.9-137.3 126.8 -0.4 -10.5 30.7 68 1049 A N T 3 S- 0 0 72 45,-1.6 3,-0.1 -2,-0.4 46,-0.1 0.837 130.1 -51.9 53.5 38.2 1.6 -12.9 32.9 69 1050 A G T 3 S+ 0 0 40 1,-0.2 37,-2.4 44,-0.2 2,-0.4 0.638 116.6 107.2 79.1 15.3 4.7 -12.7 30.7 70 1051 A V E < -FH 67 105B 4 -3,-1.3 -3,-2.5 35,-0.3 2,-0.8 -0.989 64.5-138.6-126.0 133.7 2.9 -13.6 27.5 71 1052 A L E -FH 66 104B 0 33,-3.2 33,-2.2 -2,-0.4 2,-0.3 -0.861 32.6-164.7 -92.1 110.0 2.1 -11.1 24.7 72 1053 A W E +FH 65 103B 0 -7,-2.8 -7,-2.3 -2,-0.8 2,-0.3 -0.752 19.1 148.9 -99.8 146.5 -1.4 -12.1 23.6 73 1054 A T E - 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