==== 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 3SU0 . 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) . 9508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 16 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 8.6 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 1 983 A M > 0 0 192 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.1 8.7 -25.5 -4.1 2 984 A A T 3 + 0 0 114 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.768 360.0 42.1 -68.0 -23.5 11.9 -23.4 -4.6 3 985 A S T 3 S+ 0 0 106 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.407 80.4 126.8-103.4 -1.2 9.9 -20.2 -4.9 4 986 A M < - 0 0 142 -3,-1.0 2,-0.1 1,-0.1 0, 0.0 -0.388 54.1-136.0 -60.5 132.2 7.3 -20.8 -2.1 5 987 A K - 0 0 203 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.365 3.4-131.1 -89.7 165.8 7.4 -17.8 0.2 6 988 A K - 0 0 94 -2,-0.1 2,-0.1 33,-0.0 -1,-0.0 -0.933 26.1-114.3-112.4 141.7 7.4 -17.6 4.0 7 989 A K - 0 0 162 -2,-0.4 74,-0.1 1,-0.1 2,-0.0 -0.442 35.9-114.6 -70.4 148.9 5.1 -15.4 5.9 8 990 A G - 0 0 23 1,-0.1 2,-0.2 -2,-0.1 31,-0.2 -0.174 30.5 -95.8 -74.0 172.1 6.6 -12.5 7.8 9 991 A S - 0 0 4 29,-2.4 73,-0.2 28,-0.2 2,-0.2 -0.584 38.6-101.9 -79.6 153.1 6.7 -12.1 11.5 10 992 A V B -a 82 0A 0 71,-3.0 73,-2.7 -2,-0.2 2,-0.4 -0.560 44.6-151.0 -63.4 140.4 4.3 -9.9 13.5 11 993 A V E -C 55 0B 0 44,-2.3 44,-2.3 -2,-0.2 2,-0.5 -0.982 13.5-128.6-125.8 131.2 6.1 -6.7 14.2 12 994 A I E +C 54 0B 7 -2,-0.4 42,-0.3 42,-0.2 33,-0.1 -0.676 32.4 169.3 -73.4 119.9 5.7 -4.3 17.2 13 995 A V E - 0 0 13 40,-2.8 15,-2.6 -2,-0.5 16,-1.6 0.394 58.6 -28.5-115.2 -1.0 5.2 -0.9 15.6 14 996 A G E -CD 53 27B 1 39,-1.3 39,-2.5 13,-0.3 2,-0.3 -0.976 57.6-119.8 175.8-168.6 4.0 1.1 18.6 15 997 A R E -CD 52 26B 22 11,-2.2 11,-2.7 37,-0.3 2,-0.7 -0.976 21.0-115.7-151.4 162.7 2.3 1.1 22.0 16 998 A I E -CD 51 25B 1 35,-2.4 35,-0.5 -2,-0.3 2,-0.5 -0.936 38.7-139.9-100.8 110.0 -0.6 2.5 23.9 17 999 A N E + D 0 24B 17 7,-3.0 7,-1.5 -2,-0.7 3,-0.1 -0.623 37.7 158.5 -80.5 118.9 1.1 4.5 26.6 18 1000 A L + 0 0 51 -2,-0.5 -1,-0.1 5,-0.2 5,-0.1 0.067 42.9 106.0-121.5 17.2 -0.8 4.0 30.0 19 1001 A S S S+ 0 0 104 3,-0.1 4,-0.1 2,-0.0 2,-0.1 0.724 81.8 25.3 -77.1 -23.0 2.1 5.0 32.2 20 1002 A G S S- 0 0 54 2,-0.4 3,-0.0 -3,-0.1 0, 0.0 -0.134 105.6 -65.6-121.8-149.2 0.8 8.5 33.2 21 1003 A D S S+ 0 0 162 1,-0.1 2,-0.4 -2,-0.1 -3,-0.0 0.571 113.7 54.0 -86.5 -10.0 -2.4 10.5 33.6 22 1004 A T S S- 0 0 83 2,-0.0 -2,-0.4 0, 0.0 2,-0.4 -0.989 75.1-138.5-131.1 127.7 -3.2 10.5 29.8 23 1005 A A + 0 0 32 -2,-0.4 2,-0.3 106,-0.2 -5,-0.2 -0.724 35.5 163.1 -83.2 133.5 -3.5 7.4 27.5 24 1006 A Y E -D 17 0B 109 -7,-1.5 -7,-3.0 -2,-0.4 2,-0.3 -0.987 36.7-117.5-153.1 146.2 -1.9 8.0 24.1 25 1007 A A E -D 16 0B 49 -2,-0.3 2,-0.4 103,-0.3 -9,-0.2 -0.590 26.9-167.3 -79.9 139.9 -0.7 6.0 21.1 26 1008 A Q E -D 15 0B 51 -11,-2.7 -11,-2.2 -2,-0.3 2,-0.4 -0.998 12.6-143.4-125.1 133.6 3.0 6.1 20.2 27 1009 A Q E +D 14 0B 154 -2,-0.4 -13,-0.3 -13,-0.2 3,-0.1 -0.825 20.3 173.3 -92.5 135.8 4.5 4.9 17.0 28 1010 A T + 0 0 46 -15,-2.6 2,-0.3 -2,-0.4 -14,-0.2 0.517 66.4 35.3-117.0 -11.5 7.9 3.3 17.3 29 1011 A R - 0 0 43 -16,-1.6 -1,-0.3 -18,-0.1 2,-0.1 -0.978 69.9-144.2-146.2 130.6 8.5 2.0 13.8 30 1012 A G > - 0 0 34 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.233 39.7 -86.7 -85.3-178.4 7.5 3.4 10.4 31 1013 A E H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 121.9 47.3 -66.1 -44.0 6.4 1.4 7.4 32 1014 A E H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 115.4 46.5 -64.1 -44.7 9.8 0.7 5.7 33 1015 A G H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.871 111.4 52.9 -63.8 -37.7 11.3 -0.5 9.0 34 1016 A C H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 109.3 48.1 -63.5 -47.1 8.2 -2.6 9.7 35 1017 A Q H X S+ 0 0 64 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.929 114.5 45.7 -60.0 -47.8 8.4 -4.3 6.3 36 1018 A E H X S+ 0 0 57 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.917 113.5 49.3 -60.1 -45.5 12.1 -5.1 6.8 37 1019 A T H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.844 106.8 55.7 -66.5 -34.8 11.6 -6.3 10.4 38 1020 A S H < S+ 0 0 15 -4,-2.4 -29,-2.4 -5,-0.2 -1,-0.2 0.880 110.7 46.2 -63.7 -35.3 8.8 -8.6 9.3 39 1021 A Q H < S+ 0 0 85 -4,-1.4 -2,-0.2 -31,-0.2 -1,-0.2 0.912 122.7 31.7 -74.8 -46.7 11.1 -10.2 6.8 40 1022 A T H < S- 0 0 79 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.751 90.9-139.9 -81.5 -26.9 14.1 -10.7 9.0 41 1023 A G < + 0 0 0 -4,-2.4 43,-2.1 -5,-0.3 2,-0.7 0.602 62.9 128.2 70.5 11.4 12.2 -11.2 12.3 42 1024 A R B +j 84 0C 96 -6,-0.2 2,-0.6 -5,-0.2 -1,-0.2 -0.885 29.7 169.6-106.3 107.6 14.9 -9.1 13.9 43 1025 A D + 0 0 5 41,-1.7 43,-0.1 -2,-0.7 44,-0.1 -0.944 10.1 174.5-119.8 107.5 13.6 -6.2 15.9 44 1026 A K + 0 0 152 -2,-0.6 -1,-0.1 40,-0.1 3,-0.1 0.391 40.2 121.9 -96.4 7.1 16.2 -4.4 18.0 45 1027 A N S S- 0 0 62 1,-0.1 2,-0.3 -33,-0.1 -2,-0.1 -0.305 71.9-105.9 -66.4 147.0 13.8 -1.6 19.2 46 1028 A Q - 0 0 76 -18,-0.1 2,-0.4 62,-0.0 62,-0.1 -0.581 33.9-146.3 -68.1 132.1 13.3 -1.2 22.9 47 1029 A V + 0 0 14 60,-0.6 2,-0.3 -2,-0.3 -32,-0.0 -0.892 22.5 173.0-101.3 139.1 9.9 -2.5 23.9 48 1030 A E + 0 0 109 -2,-0.4 61,-0.2 3,-0.1 3,-0.1 -0.987 32.9 20.6-138.0 153.5 8.0 -0.8 26.8 49 1031 A G B S-k 109 0D 19 59,-0.6 61,-1.9 -2,-0.3 3,-0.1 -0.129 76.6 -83.5 90.6 177.9 4.6 -1.0 28.3 50 1032 A E S S+ 0 0 49 -34,-0.3 15,-2.6 59,-0.2 2,-0.6 0.749 105.4 53.9 -95.1 -36.0 1.7 -3.4 28.5 51 1033 A V E -CE 16 64B 0 -35,-0.5 -35,-2.4 13,-0.2 2,-0.3 -0.940 67.7-169.6-114.5 115.5 -0.2 -2.8 25.3 52 1034 A Q E -CE 15 63B 1 11,-3.0 11,-2.3 -2,-0.6 2,-0.5 -0.754 20.5-134.3-100.6 148.6 1.7 -3.0 22.0 53 1035 A I E -CE 14 62B 14 -39,-2.5 -40,-2.8 -2,-0.3 -39,-1.3 -0.911 34.4-172.6 -96.4 128.1 0.5 -2.0 18.5 54 1036 A V E -CE 12 61B 0 7,-2.5 7,-2.6 -2,-0.5 2,-0.3 -0.888 9.6-166.5-126.7 154.7 1.4 -4.8 16.1 55 1037 A S E -CE 11 60B 9 -44,-2.3 -44,-2.3 -2,-0.3 5,-0.2 -0.992 12.3-168.8-141.1 148.5 1.3 -5.3 12.4 56 1038 A T - 0 0 10 3,-2.8 -46,-0.1 -2,-0.3 -47,-0.0 -0.532 56.0 -84.3-109.0-170.7 1.6 -7.9 9.7 57 1039 A A S S+ 0 0 99 -2,-0.2 3,-0.1 1,-0.2 -22,-0.0 0.769 128.2 23.4 -64.8 -25.2 1.9 -7.1 6.0 58 1040 A T S S+ 0 0 114 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.536 121.5 41.4-121.7 -14.6 -1.8 -6.7 5.7 59 1041 A Q - 0 0 90 17,-0.1 -3,-2.8 18,-0.0 2,-0.4 -0.956 50.6-157.7-140.6 155.2 -3.2 -5.9 9.1 60 1042 A T E +E 55 0B 55 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.995 30.8 135.3-132.7 142.9 -2.6 -3.9 12.3 61 1043 A F E -E 54 0B 8 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.3 -0.752 44.7 -79.7-161.6-164.3 -4.0 -4.7 15.7 62 1044 A L E -E 53 0B 0 95,-2.5 11,-0.4 -9,-0.2 2,-0.3 -0.818 22.1-163.1-119.5 161.3 -3.0 -4.8 19.4 63 1045 A A E -E 52 0B 0 -11,-2.3 -11,-3.0 -2,-0.3 2,-0.4 -0.991 10.9-156.2-143.6 142.2 -1.3 -7.2 21.7 64 1046 A T E -EF 51 71B 0 7,-2.4 7,-2.9 -2,-0.3 2,-0.5 -0.971 11.8-135.0-128.2 130.0 -1.4 -7.2 25.5 65 1047 A S E + F 0 70B 1 -15,-2.6 47,-2.9 -2,-0.4 2,-0.4 -0.733 31.7 162.7 -85.3 124.7 1.1 -8.6 28.1 66 1048 A I E > -gF 112 69B 1 3,-2.5 3,-1.2 -2,-0.5 47,-0.2 -0.983 69.1 -7.8-140.2 127.1 -0.5 -10.5 30.9 67 1049 A N T 3 S- 0 0 68 45,-1.5 3,-0.1 -2,-0.4 46,-0.1 0.832 129.8 -52.4 56.1 37.7 1.5 -12.9 33.2 68 1050 A G T 3 S+ 0 0 40 1,-0.2 37,-2.4 44,-0.2 2,-0.4 0.624 117.2 106.3 78.2 14.4 4.7 -12.7 31.1 69 1051 A V E < -FH 66 104B 5 -3,-1.2 -3,-2.5 35,-0.3 2,-0.7 -0.987 64.9-138.7-126.7 133.0 2.9 -13.6 27.8 70 1052 A L E -FH 65 103B 0 33,-3.0 33,-2.2 -2,-0.4 2,-0.3 -0.854 32.5-164.4 -90.6 111.5 2.1 -11.2 25.0 71 1053 A W E +FH 64 102B 0 -7,-2.9 -7,-2.4 -2,-0.7 2,-0.3 -0.754 19.1 151.0-101.3 146.8 -1.4 -12.2 23.9 72 1054 A T E - 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