==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-DEC-06 2O8M . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR T.O.FISCHMANN,A.J.PRONGAY,V.M.MADISON,N.YAO . 376 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 2 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 . 8 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 . 2 3 7 2 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 4 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 -2 A M 0 0 47 0, 0.0 5,-0.5 0, 0.0 149,-0.2 0.000 360.0 360.0 360.0 -15.4 190.9 15.0 62.3 2 -1 A G + 0 0 11 147,-0.5 147,-0.1 3,-0.2 3,-0.1 -0.538 360.0 117.2-132.1-164.3 188.0 15.7 59.9 3 1 A A S S+ 0 0 47 145,-0.6 -1,-0.1 300,-0.3 2,-0.1 0.964 124.7 8.4 63.0 56.7 185.5 18.3 58.8 4 2 A P S S- 0 0 4 0, 0.0 2,-0.5 0, 0.0 300,-0.2 0.637 98.9-138.1-101.0 165.8 186.9 17.9 56.3 5 3 A I + 0 0 0 298,-3.2 2,-0.3 297,-0.1 -3,-0.2 -0.659 33.4 163.4 -79.4 121.9 189.4 15.1 56.3 6 4 A T - 0 0 12 -2,-0.5 2,-0.3 345,-0.5 347,-0.2 -0.967 11.9-172.3-134.1 153.8 192.7 16.1 54.7 7 5 A A - 0 0 13 106,-0.4 2,-0.3 -2,-0.3 344,-0.2 -0.993 9.9-165.2-147.5 150.9 196.1 14.4 54.8 8 6 A Y E -A 350 0A 19 342,-1.6 342,-2.7 -2,-0.3 2,-0.3 -0.959 12.5-145.1-133.7 152.3 199.7 14.9 53.8 9 7 A A E -A 349 0A 23 -2,-0.3 2,-0.4 103,-0.2 340,-0.2 -0.890 10.1-171.2-116.8 150.3 202.6 12.5 53.6 10 8 A Q E -A 348 0A 41 338,-2.1 338,-2.2 -2,-0.3 2,-0.4 -0.996 18.8-136.8-139.5 133.7 206.3 13.1 54.3 11 9 A Q E +A 347 0A 158 -2,-0.4 336,-0.3 336,-0.2 3,-0.1 -0.781 23.3 174.2 -90.7 133.4 209.2 10.7 53.6 12 10 A T + 0 0 46 334,-2.4 2,-0.3 -2,-0.4 335,-0.2 0.504 58.7 38.0-116.1 -12.1 211.7 10.5 56.4 13 11 A R - 0 0 46 333,-1.7 -1,-0.2 16,-0.0 2,-0.1 -0.998 62.9-143.0-145.8 143.6 214.1 7.7 55.4 14 12 A G > - 0 0 39 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.364 41.4 -90.0 -93.1 176.9 215.7 6.4 52.3 15 13 A L H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.913 123.1 43.7 -52.6 -57.3 216.4 2.7 51.3 16 14 A L H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.918 113.9 50.8 -59.1 -46.3 219.9 2.4 52.8 17 15 A G H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 108.5 53.6 -60.2 -37.5 218.9 4.2 56.0 18 16 A C H X S+ 0 0 12 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.929 108.7 48.5 -63.7 -44.8 215.9 1.9 56.4 19 17 A I H X S+ 0 0 84 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 113.3 45.9 -61.7 -47.4 218.1 -1.2 56.1 20 18 A I H X S+ 0 0 91 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.922 113.9 48.7 -62.3 -45.5 220.6 -0.1 58.7 21 19 A T H X S+ 0 0 9 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.839 108.2 55.9 -64.3 -32.6 217.9 1.0 61.1 22 20 A S H < S+ 0 0 12 -4,-2.1 320,-2.5 -5,-0.2 -1,-0.2 0.919 111.9 42.2 -66.5 -41.7 216.2 -2.3 60.6 23 21 A L H < S+ 0 0 137 -4,-2.0 -2,-0.2 318,-0.2 -1,-0.2 0.925 121.4 38.6 -70.8 -48.2 219.4 -4.2 61.6 24 22 A T H < S- 0 0 78 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.810 90.4-147.1 -72.4 -32.2 220.3 -2.0 64.6 25 23 A G < + 0 0 1 -4,-2.2 43,-1.8 -5,-0.3 2,-0.6 0.587 59.8 123.2 73.0 9.6 216.7 -1.5 65.7 26 24 A R B +h 68 0B 127 -6,-0.2 2,-0.5 41,-0.2 -1,-0.2 -0.909 36.2 177.0-108.5 112.3 217.8 2.0 66.8 27 25 A D + 0 0 4 41,-2.1 44,-0.1 -2,-0.6 43,-0.1 -0.949 11.9 173.6-119.7 111.7 215.8 4.8 65.2 28 26 A K + 0 0 140 -2,-0.5 -1,-0.1 41,-0.1 40,-0.0 0.428 39.6 122.9 -94.1 -3.7 216.6 8.3 66.4 29 27 A N - 0 0 57 1,-0.1 2,-0.1 316,-0.1 -2,-0.1 -0.317 69.5-107.8 -61.9 143.3 214.4 10.1 63.9 30 28 A Q - 0 0 160 1,-0.1 2,-0.4 62,-0.0 -1,-0.1 -0.405 34.3-137.6 -68.9 145.6 211.7 12.5 65.3 31 29 A V + 0 0 19 60,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.900 28.9 160.9-111.0 140.8 208.1 11.2 65.0 32 30 A E + 0 0 79 -2,-0.4 61,-0.2 3,-0.1 317,-0.1 -0.969 33.4 41.0-147.2 159.4 205.0 13.1 64.1 33 31 A G S S- 0 0 6 59,-0.4 61,-2.1 -2,-0.3 317,-0.2 0.002 74.1 -92.6 93.2 166.6 201.5 12.2 62.8 34 32 A E S S+ 0 0 0 315,-0.8 15,-2.9 59,-0.2 2,-0.4 0.724 107.0 46.7 -89.8 -29.0 198.7 9.7 63.4 35 33 A V E S-BC 48 349A 0 314,-1.9 314,-3.4 13,-0.2 2,-0.4 -0.972 70.4-154.7-122.6 131.5 199.8 7.2 60.7 36 34 A Q E -BC 47 348A 2 11,-3.0 11,-2.2 -2,-0.4 2,-0.6 -0.860 14.1-136.6-106.4 136.3 203.3 5.9 60.2 37 35 A I E -BC 46 347A 13 310,-2.3 309,-2.9 -2,-0.4 310,-1.3 -0.841 36.9-171.8 -88.7 117.9 204.6 4.6 56.9 38 36 A V E -BC 45 345A 0 7,-2.8 7,-2.8 -2,-0.6 2,-0.3 -0.830 13.4-169.2-119.0 158.1 206.5 1.5 57.8 39 37 A S E -BC 44 344A 21 305,-2.1 305,-2.7 -2,-0.3 5,-0.3 -0.995 10.8-170.3-146.1 148.9 208.8 -1.0 56.1 40 38 A T - 0 0 7 3,-3.2 303,-0.1 -2,-0.3 302,-0.1 -0.436 55.2 -83.6-113.5-163.5 210.5 -4.3 56.5 41 39 A A S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.2 -22,-0.1 0.827 128.7 28.7 -74.5 -31.5 213.1 -5.8 54.2 42 40 A T S S+ 0 0 114 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.621 123.0 25.4-105.4 -17.2 210.5 -7.2 51.9 43 41 A Q - 0 0 74 17,-0.1 -3,-3.2 96,-0.0 2,-0.4 -0.989 50.2-147.1-152.5 160.8 207.5 -4.8 52.2 44 42 A T E +B 39 0A 48 -2,-0.3 -5,-0.3 -5,-0.3 2,-0.2 -0.968 33.1 136.3-127.4 140.2 206.1 -1.4 53.1 45 43 A F E -B 38 0A 4 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.3 -0.769 44.2 -78.6-156.3-160.5 202.7 -0.6 54.6 46 44 A L E -B 37 0A 0 95,-2.6 11,-0.5 -9,-0.2 2,-0.4 -0.865 20.0-160.8-122.5 157.2 201.1 1.6 57.2 47 45 A A E -B 36 0A 0 -11,-2.2 -11,-3.0 -2,-0.3 2,-0.5 -0.999 15.3-150.8-136.5 130.8 200.7 1.6 61.0 48 46 A T E -BD 35 55A 0 7,-2.9 7,-3.0 -2,-0.4 2,-0.5 -0.905 7.9-138.2-110.4 130.9 197.9 3.6 62.7 49 47 A C E + D 0 54A 0 -15,-2.9 47,-2.8 -2,-0.5 2,-0.4 -0.743 29.6 167.5 -88.5 123.6 198.1 5.1 66.2 50 48 A I E > -eD 96 53A 5 3,-2.8 3,-1.8 -2,-0.5 47,-0.2 -0.991 67.3 -15.7-136.5 126.8 194.9 4.7 68.1 51 49 A N T 3 S- 0 0 88 45,-2.3 46,-0.1 -2,-0.4 3,-0.1 0.864 129.1 -48.0 45.8 49.2 194.5 5.3 71.9 52 50 A G T 3 S+ 0 0 43 1,-0.2 37,-2.6 44,-0.2 2,-0.4 0.484 118.1 106.8 76.1 6.2 198.3 5.2 72.5 53 51 A V E < -DF 50 88A 11 -3,-1.8 -3,-2.8 35,-0.2 2,-0.9 -0.956 63.6-141.1-120.6 133.7 198.9 2.0 70.6 54 52 A C E -DF 49 87A 0 33,-3.0 33,-2.1 -2,-0.4 2,-0.3 -0.822 29.8-168.4 -95.2 105.1 200.5 1.8 67.1 55 53 A W E +DF 48 86A 3 -7,-3.0 -7,-2.9 -2,-0.9 2,-0.3 -0.726 15.8 153.8 -99.4 146.4 198.6 -0.9 65.2 56 54 A T E - F 0 85A 0 29,-2.4 29,-1.9 -2,-0.3 2,-0.3 -0.887 46.0 -73.1-152.8 179.8 199.3 -2.6 61.9 57 55 A V E >> - F 0 84A 0 -11,-0.5 4,-2.6 -2,-0.3 3,-1.2 -0.638 26.3-141.7 -84.3 139.8 198.6 -5.8 60.0 58 56 A Y H 3> S+ 0 0 63 25,-0.6 4,-3.1 -2,-0.3 -1,-0.1 0.869 101.6 65.1 -64.5 -36.4 200.3 -9.1 61.1 59 57 A H H 34 S+ 0 0 90 24,-0.2 -1,-0.3 1,-0.2 25,-0.1 0.656 112.7 34.8 -64.7 -10.0 200.7 -10.0 57.4 60 58 A G H <4 S+ 0 0 1 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.810 129.4 29.9-105.0 -51.5 203.1 -7.1 57.1 61 59 A A H >< S- 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -3,-0.2 0.720 78.0-176.0 -84.2 -25.3 204.8 -7.0 60.5 62 60 A G T 3< S- 0 0 14 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.336 70.0 -37.5 59.3-140.8 204.8 -10.6 61.5 63 61 A T T 3 S+ 0 0 104 15,-0.1 12,-0.3 22,-0.0 -1,-0.2 0.283 100.5 139.6 -96.6 8.8 206.3 -10.9 65.0 64 62 A R < - 0 0 36 -3,-1.8 2,-0.2 1,-0.1 11,-0.2 -0.015 50.4-126.2 -54.1 155.6 208.9 -8.2 64.4 65 63 A T - 0 0 31 276,-0.2 278,-3.0 275,-0.2 2,-0.4 -0.472 27.2-116.2 -89.1 171.4 209.9 -5.5 66.9 66 64 A I B -Ij 73 343C 7 7,-2.1 7,-2.0 276,-0.2 278,-0.2 -0.923 24.8-114.6-113.6 137.7 209.8 -1.9 65.9 67 65 A A + 0 0 5 276,-2.5 278,-0.2 -2,-0.4 -41,-0.2 -0.477 46.2 167.2 -68.0 137.9 212.9 0.3 65.7 68 66 A S B > -h 26 0B 19 -43,-1.8 -41,-2.1 -2,-0.2 3,-2.0 -0.909 52.8 -94.1-146.1 170.9 212.9 3.1 68.3 69 67 A P T 3 S+ 0 0 60 0, 0.0 -41,-0.1 0, 0.0 -43,-0.1 0.793 127.9 45.4 -60.1 -25.8 215.2 5.7 69.9 70 68 A K T 3 S- 0 0 183 1,-0.4 -44,-0.1 -43,-0.1 -42,-0.1 0.274 125.0 -97.8 -99.7 10.2 215.9 3.2 72.7 71 69 A G S < S- 0 0 1 -3,-2.0 -1,-0.4 -46,-0.2 -46,-0.2 -0.568 76.9 -4.2 102.9-171.6 216.4 0.2 70.3 72 70 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.243 62.5-152.2 -59.0 139.4 214.0 -2.6 69.2 73 71 A V B -I 66 0C 40 -7,-2.0 -7,-2.1 15,-0.0 2,-0.1 -0.967 11.1-131.6-119.3 124.2 210.6 -2.6 70.9 74 72 A I - 0 0 138 -2,-0.5 -9,-0.1 -9,-0.2 2,-0.1 -0.397 32.6 -98.1 -72.1 149.7 208.6 -5.8 71.3 75 73 A Q - 0 0 21 -12,-0.3 12,-0.3 -11,-0.2 -1,-0.1 -0.414 21.4-156.0 -67.1 142.5 204.9 -5.9 70.3 76 74 A M S S+ 0 0 89 10,-2.4 2,-0.3 1,-0.2 11,-0.2 0.743 80.5 28.3 -85.3 -34.4 202.4 -5.4 73.1 77 75 A Y E +G 86 0A 51 9,-2.0 9,-2.2 2,-0.0 2,-0.3 -0.982 61.5 176.8-131.8 149.1 199.6 -7.2 71.2 78 76 A T E +G 85 0A 63 -2,-0.3 2,-0.2 102,-0.2 7,-0.2 -0.959 6.1 168.1-152.4 127.9 199.6 -9.9 68.6 79 77 A N E >> -G 84 0A 26 5,-2.9 5,-2.2 -2,-0.3 4,-1.2 -0.714 7.1-179.1-145.9 90.1 196.7 -11.7 67.0 80 78 A V T 45S+ 0 0 84 -2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.883 85.1 53.6 -54.8 -45.2 197.4 -13.8 63.9 81 79 A D T 45S+ 0 0 165 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.863 116.0 38.6 -61.5 -37.6 193.8 -14.8 63.4 82 80 A Q T 45S- 0 0 45 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.567 109.9-124.5 -89.6 -8.1 192.7 -11.2 63.3 83 81 A D T <5 + 0 0 19 -4,-1.2 -25,-0.6 -3,-0.3 2,-0.4 0.910 64.2 136.1 66.1 44.3 195.8 -10.1 61.4 84 82 A L E < +FG 57 79A 0 -5,-2.2 -5,-2.9 -27,-0.3 2,-0.3 -0.944 30.3 172.5-127.2 147.8 196.7 -7.5 64.0 85 83 A V E -FG 56 78A 0 -29,-1.9 -29,-2.4 -2,-0.4 2,-0.3 -0.977 10.5-168.8-144.9 148.7 199.9 -6.4 65.8 86 84 A G E -FG 55 77A 0 -9,-2.2 -10,-2.4 -2,-0.3 -9,-2.0 -0.997 8.0-177.2-144.8 140.9 200.4 -3.5 68.1 87 85 A W E -F 54 0A 0 -33,-2.1 -33,-3.0 -2,-0.3 -12,-0.1 -0.826 49.3 -79.9-121.7 167.2 203.4 -1.7 69.7 88 86 A P E -F 53 0A 59 0, 0.0 -35,-0.2 0, 0.0 3,-0.1 -0.446 61.9 -95.9 -67.9 144.0 203.3 1.2 72.1 89 87 A A - 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