==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 14-MAR-07 2P59 . COMPND 2 MOLECULE: NS3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR R.B.PERNI,Y.WEI . 369 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 37.1 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 . 6 1.6 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 7.9 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 4 0 0 1 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 . 7 1 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 6 4 9 1 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 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 55 A V 0 0 66 0, 0.0 2,-0.3 0, 0.0 349,-0.1 0.000 360.0 360.0 360.0 119.0 93.2 42.8 51.6 2 56 A E - 0 0 100 61,-0.0 2,-0.4 340,-0.0 61,-0.2 -0.757 360.0-141.2-106.2 149.4 90.5 42.3 54.2 3 57 A G B -a 63 0A 0 59,-1.7 61,-1.5 -2,-0.3 341,-0.3 -0.858 11.4-160.9-110.5 144.3 87.1 40.6 53.8 4 58 A E S S+ 0 0 11 339,-0.8 15,-2.4 -2,-0.4 2,-0.6 0.811 86.0 54.3 -82.2 -33.3 83.7 41.5 55.2 5 59 A V E S-BC 18 343B 0 338,-1.9 338,-4.0 13,-0.2 2,-0.4 -0.893 71.1-163.7-111.5 114.2 82.3 38.1 54.6 6 60 A Q E -BC 17 342B 2 11,-1.6 11,-3.0 -2,-0.6 2,-0.9 -0.795 18.3-133.6 -97.3 141.8 84.1 35.0 56.0 7 61 A I E -BC 16 341B 10 334,-2.5 333,-3.2 -2,-0.4 334,-0.6 -0.814 35.0-171.8 -91.5 102.0 83.3 31.5 54.7 8 62 A V E -BC 15 339B 0 -2,-0.9 7,-0.8 7,-0.7 2,-0.3 -0.345 8.5-161.5 -99.5 178.9 83.0 29.4 57.8 9 63 A S E -BC 14 338B 29 329,-1.0 329,-2.3 5,-0.2 5,-0.2 -0.928 12.3-163.9-168.9 123.3 82.6 25.7 58.4 10 64 A T - 0 0 9 3,-3.0 3,-0.5 -2,-0.3 327,-0.1 -0.565 45.2-102.6 -96.9 170.1 81.5 23.1 61.0 11 65 A A S S+ 0 0 104 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.848 121.9 28.9 -59.2 -32.6 82.4 19.4 60.8 12 66 A T S S+ 0 0 121 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.314 126.9 24.6-114.6 3.0 78.9 18.6 59.6 13 67 A Q - 0 0 75 -3,-0.5 -3,-3.0 17,-0.1 2,-0.4 -0.984 58.5-145.3-169.2 150.5 77.8 21.8 57.8 14 68 A T E +B 9 0B 49 -2,-0.3 -5,-0.2 -5,-0.2 97,-0.2 -0.994 29.8 138.4-136.7 133.7 79.2 24.9 56.0 15 69 A F E -B 8 0B 1 -7,-0.8 -7,-0.7 -2,-0.4 2,-0.3 -0.602 41.7 -91.3-144.2-157.8 77.8 28.5 55.8 16 70 A L E -B 7 0B 0 95,-2.6 11,-0.5 -9,-0.2 2,-0.3 -0.878 19.2-151.2-124.6 162.4 79.0 32.1 55.9 17 71 A A E -B 6 0B 0 -11,-3.0 -11,-1.6 -2,-0.3 2,-0.4 -0.977 10.1-148.9-126.7 148.1 79.5 34.8 58.6 18 72 A T E -BD 5 25B 0 7,-2.4 7,-3.2 -2,-0.3 2,-0.7 -0.960 11.0-137.7-115.8 134.8 79.2 38.5 58.1 19 73 A C E + D 0 24B 0 -15,-2.4 47,-3.0 -2,-0.4 2,-0.4 -0.817 31.4 167.0 -92.0 117.8 81.3 41.0 60.0 20 74 A I E > -eD 66 23B 0 3,-2.4 3,-1.7 -2,-0.7 47,-0.1 -0.990 64.6 -11.5-134.5 127.4 79.2 44.0 61.2 21 75 A N T 3 S- 0 0 72 45,-1.1 -1,-0.1 -2,-0.4 3,-0.1 0.876 127.7 -53.6 53.5 41.0 80.2 46.6 63.7 22 76 A G T 3 S+ 0 0 39 1,-0.3 37,-2.3 44,-0.1 2,-0.3 0.339 117.7 107.8 84.1 -10.1 83.2 44.6 64.9 23 77 A V E < -DF 20 58B 5 -3,-1.7 -3,-2.4 35,-0.2 2,-0.8 -0.787 67.2-136.0 -95.3 143.7 81.2 41.5 65.6 24 78 A C E -DF 19 57B 0 33,-3.2 33,-2.0 -2,-0.3 -5,-0.3 -0.866 33.5-165.6 -98.0 102.2 81.4 38.5 63.3 25 79 A W E +DF 18 56B 0 -7,-3.2 -7,-2.4 -2,-0.8 2,-0.3 -0.516 18.9 146.6 -93.3 155.0 77.8 37.4 62.9 26 80 A T E - F 0 55B 0 29,-1.9 29,-2.5 -9,-0.2 2,-0.3 -0.962 47.5 -62.8-168.9-178.3 76.2 34.2 61.6 27 81 A V E >> - F 0 54B 0 -11,-0.5 4,-2.3 -2,-0.3 3,-1.6 -0.563 27.5-144.0 -87.6 135.3 73.2 31.9 61.9 28 82 A Y H 3> S+ 0 0 67 25,-0.8 4,-1.8 -2,-0.3 26,-0.1 0.813 99.9 62.8 -62.3 -33.6 72.5 29.9 65.1 29 83 A H H 34 S+ 0 0 84 24,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.475 113.8 36.8 -74.1 1.3 71.3 26.9 63.2 30 84 A G H <4 S+ 0 0 1 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.722 128.4 27.7-114.2 -44.5 74.8 26.6 61.8 31 85 A A H >< S- 0 0 0 -4,-2.3 3,-1.8 1,-0.2 2,-0.2 0.800 78.9-177.7 -89.2 -34.1 77.1 27.7 64.6 32 86 A G T 3< S- 0 0 13 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.526 71.0 -36.1 67.0-133.2 75.0 26.6 67.6 33 87 A T T 3 S+ 0 0 108 -2,-0.2 12,-0.3 15,-0.1 -1,-0.3 0.123 103.2 138.6-103.2 19.6 76.9 27.6 70.7 34 88 A R < - 0 0 72 -3,-1.8 11,-0.4 1,-0.1 2,-0.3 0.098 52.5-118.4 -63.8 172.4 80.2 26.7 69.2 35 89 A T E -i 336 0C 31 300,-0.6 302,-2.7 9,-0.1 2,-0.4 -0.858 23.5-121.0-105.8 150.6 83.4 28.7 69.5 36 90 A I E -iJ 337 43C 6 7,-2.4 7,-2.6 -2,-0.3 302,-0.2 -0.774 32.6-115.7 -90.0 135.4 85.2 30.2 66.5 37 91 A A + 0 0 37 300,-3.2 302,-0.1 -2,-0.4 -1,-0.1 -0.291 37.6 174.5 -67.5 150.9 88.8 29.0 65.9 38 92 A S > - 0 0 44 22,-0.1 3,-1.9 300,-0.0 -1,-0.0 -0.970 47.7-103.9-148.9 166.3 91.7 31.4 66.2 39 93 A P T 3 S+ 0 0 108 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.586 123.6 48.2 -70.0 -3.7 95.5 31.1 66.1 40 94 A K T 3 S- 0 0 196 1,-0.5 -3,-0.0 0, 0.0 0, 0.0 0.137 126.6 -81.2-117.6 15.3 95.4 31.5 69.9 41 95 A G S < S- 0 0 31 -3,-1.9 -1,-0.5 2,-0.0 -5,-0.1 -0.281 73.6 -26.5 105.0 169.4 92.7 28.9 70.7 42 96 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.200 53.8-151.8 -62.8 141.3 88.9 28.8 70.6 43 97 A V B -J 36 0C 48 -7,-2.6 -7,-2.4 15,-0.1 2,-0.1 -0.952 14.1-131.4-115.2 133.8 87.0 32.1 71.0 44 98 A I - 0 0 124 -2,-0.4 -9,-0.1 -9,-0.2 2,-0.1 -0.441 29.8 -89.5 -88.8 155.7 83.5 32.2 72.5 45 99 A Q - 0 0 23 -11,-0.4 12,-0.3 -12,-0.3 3,-0.1 -0.363 22.3-158.6 -62.0 131.4 80.4 33.9 71.2 46 100 A M S S+ 0 0 98 10,-2.2 2,-0.4 1,-0.2 11,-0.2 0.755 84.3 28.0 -73.2 -29.4 79.9 37.5 72.5 47 101 A Y E +G 56 0B 55 9,-2.2 9,-2.5 104,-0.0 2,-0.4 -0.999 59.4 176.7-139.0 132.5 76.2 37.1 71.6 48 102 A T E +G 55 0B 70 -2,-0.4 7,-0.2 7,-0.2 2,-0.1 -0.992 7.3 165.9-132.3 130.8 73.8 34.2 71.3 49 103 A N E >>> +G 54 0B 38 5,-2.6 3,-1.7 -2,-0.4 5,-1.2 -0.594 7.0 178.3-143.5 73.4 70.2 34.8 70.5 50 104 A V G >45S+ 0 0 88 1,-0.3 3,-0.6 3,-0.2 -1,-0.1 0.749 78.9 67.7 -53.6 -25.0 68.6 31.5 69.6 51 105 A D G 345S+ 0 0 158 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.891 109.5 31.4 -61.7 -44.2 65.3 33.4 69.2 52 106 A Q G <45S- 0 0 59 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.264 113.0-112.9-101.1 10.0 66.5 35.4 66.2 53 107 A D T <<5S+ 0 0 13 -4,-0.6 -25,-0.8 -3,-0.6 2,-0.4 0.916 73.6 135.0 62.5 47.8 68.7 32.6 64.9 54 108 A L E < +FG 27 49B 0 -5,-1.2 -5,-2.6 -27,-0.3 2,-0.3 -0.986 31.3 170.8-139.1 128.8 71.8 34.7 65.6 55 109 A V E -FG 26 48B 0 -29,-2.5 -29,-1.9 -2,-0.4 2,-0.3 -0.939 11.5-166.2-126.8 159.0 75.3 34.3 67.1 56 110 A G E -FG 25 47B 0 -9,-2.5 -10,-2.2 -2,-0.3 -9,-2.2 -0.951 7.1-178.3-148.3 128.7 78.2 36.7 67.1 57 111 A W E -F 24 0B 0 -33,-2.0 -33,-3.2 -2,-0.3 2,-0.1 -0.578 48.1 -77.9-103.0 173.8 81.9 36.4 68.0 58 112 A P E -F 23 0B 53 0, 0.0 -35,-0.2 0, 0.0 -1,-0.1 -0.498 64.4 -89.4 -63.4 145.5 84.6 39.1 67.9 59 113 A A - 0 0 36 -37,-2.3 4,-0.1 -2,-0.1 3,-0.1 -0.390 46.9-129.7 -66.4 131.3 85.7 39.9 64.4 60 114 A P > - 0 0 30 0, 0.0 3,-0.7 0, 0.0 2,-0.1 -0.127 31.9 -81.6 -69.9 170.2 88.7 37.6 63.3 61 115 A Q T 3 S+ 0 0 151 1,-0.2 3,-0.1 -59,-0.0 0, 0.0 -0.483 116.7 40.0 -67.2 147.3 91.9 38.8 61.8 62 116 A G T 3 S+ 0 0 20 1,-0.3 -59,-1.7 -2,-0.1 2,-0.3 0.748 95.7 118.0 81.6 22.8 91.6 39.4 58.0 63 117 A S B < -a 3 0A 15 -3,-0.7 2,-0.4 -61,-0.2 -1,-0.3 -0.893 46.0-165.2-126.6 160.9 88.2 40.9 58.4 64 118 A R - 0 0 72 -61,-1.5 -45,-0.3 -2,-0.3 2,-0.2 -0.992 29.5-119.3-142.5 127.3 86.6 44.4 57.7 65 119 A S - 0 0 49 -2,-0.4 -45,-0.3 -47,-0.1 2,-0.2 -0.483 20.5-128.5 -78.3 146.3 83.3 45.3 59.2 66 120 A L B -e 20 0B 15 -47,-3.0 -45,-1.1 -62,-0.2 -44,-0.1 -0.621 23.3-116.4 -87.8 151.8 80.2 46.2 57.1 67 121 A T - 0 0 58 -2,-0.2 55,-2.6 -47,-0.1 2,-0.1 -0.692 28.8-110.5 -90.6 138.7 78.2 49.3 57.7 68 122 A P B -k 122 0D 19 0, 0.0 55,-0.2 0, 0.0 53,-0.1 -0.420 41.0-104.8 -66.0 138.5 74.5 49.2 58.8 69 123 A a + 0 0 19 53,-3.0 53,-0.0 1,-0.1 47,-0.0 -0.302 44.5 163.1 -65.9 146.0 72.1 50.3 56.1 70 124 A T + 0 0 63 -3,-0.1 -1,-0.1 210,-0.0 53,-0.0 0.204 57.6 94.4-137.7 2.5 70.4 53.7 56.4 71 125 A a S S- 0 0 19 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.723 75.2-149.7 -67.9 -25.3 69.3 53.8 52.7 72 126 A G + 0 0 66 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.460 40.7 160.4 68.3 0.1 65.9 52.3 53.7 73 127 A S - 0 0 22 1,-0.1 -1,-0.2 2,-0.1 3,-0.0 0.078 45.1-152.5 -59.5 161.3 65.9 50.8 50.2 74 128 A S S S+ 0 0 39 -3,-0.1 16,-2.5 1,-0.1 2,-0.9 0.319 76.0 89.0-111.4 1.8 63.8 47.8 49.1 75 129 A D E +L 89 0D 66 14,-0.2 14,-0.2 12,-0.0 2,-0.1 -0.813 60.1 172.1-103.7 94.9 66.3 46.7 46.4 76 130 A L E -L 88 0D 1 12,-2.7 12,-2.2 -2,-0.9 2,-0.3 -0.370 22.5-148.0 -95.1 173.8 68.6 44.3 48.2 77 131 A Y E -LM 87 116D 37 39,-1.1 39,-2.6 10,-0.3 2,-0.5 -0.957 8.4-147.4-146.4 125.3 71.3 42.0 46.9 78 132 A L E -LM 86 115D 0 8,-3.8 8,-3.4 -2,-0.3 2,-0.5 -0.798 7.9-150.3 -97.8 132.2 72.2 38.6 48.4 79 133 A V E -L 85 0D 0 35,-1.6 6,-0.2 -2,-0.5 47,-0.1 -0.912 15.1-151.6-103.1 125.3 75.8 37.5 48.2 80 134 A T > - 0 0 0 4,-2.4 3,-2.2 -2,-0.5 27,-0.1 -0.322 33.6 -97.7 -90.1 174.2 76.3 33.7 48.1 81 135 A R T 3 S+ 0 0 46 1,-0.3 -1,-0.1 27,-0.3 26,-0.1 0.560 127.2 56.4 -70.7 -7.2 79.2 31.7 49.4 82 136 A H T 3 S- 0 0 108 24,-0.2 -1,-0.3 2,-0.1 287,-0.2 0.277 122.8-108.3-100.1 5.1 80.5 31.7 45.7 83 137 A A < + 0 0 14 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.716 68.4 153.3 74.2 21.0 80.4 35.5 45.8 84 138 A D - 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