==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-07 2QV1 . COMPND 2 MOLECULE: NS3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR Y.WEI . 369 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 67.5 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 . 1 0.3 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 . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.0 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 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 7 2 10 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 0.000 360.0 360.0 360.0 125.0 94.6 43.6 51.7 2 56 A E - 0 0 101 61,-0.0 2,-0.4 340,-0.0 61,-0.2 -0.779 360.0-141.8-113.1 154.2 91.7 42.9 54.1 3 57 A G B -a 63 0A 0 59,-1.9 61,-2.2 -2,-0.3 341,-0.3 -0.900 9.7-158.4-114.8 143.9 88.3 41.2 53.6 4 58 A E S S+ 0 0 10 339,-0.9 15,-2.9 -2,-0.4 2,-0.4 0.744 85.4 53.6 -82.8 -25.5 84.9 42.1 55.1 5 59 A V E -BC 18 343B 0 338,-1.8 338,-3.1 13,-0.2 2,-0.5 -0.921 69.5-159.7-119.8 130.0 83.7 38.6 54.6 6 60 A Q E -BC 17 342B 2 11,-1.9 11,-1.7 -2,-0.4 2,-0.5 -0.923 16.0-135.2-111.8 135.2 85.3 35.3 55.7 7 61 A I E -BC 16 341B 13 334,-2.4 333,-3.0 -2,-0.5 334,-1.0 -0.751 35.7-163.8 -83.1 124.5 84.6 31.9 54.3 8 62 A M E -BC 15 339B 0 7,-2.7 7,-1.2 -2,-0.5 2,-0.4 -0.770 15.2-162.2-122.5 158.6 84.2 29.5 57.3 9 63 A S E +BC 14 338B 37 329,-2.8 329,-2.3 -2,-0.3 2,-0.3 -0.986 9.3 178.0-139.2 142.7 84.2 25.9 58.0 10 64 A T - 0 0 14 3,-2.8 327,-0.1 -2,-0.4 21,-0.0 -0.711 49.4 -98.2-123.0-178.7 83.1 23.5 60.8 11 65 A A S S+ 0 0 104 -2,-0.3 -1,-0.0 1,-0.2 326,-0.0 0.924 121.1 22.7 -66.8 -41.8 83.4 19.7 60.7 12 66 A T S S+ 0 0 125 -3,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.570 126.4 35.9-100.3 -13.9 79.9 19.1 59.5 13 67 A Q - 0 0 81 17,-0.1 -3,-2.8 2,-0.0 2,-0.3 -0.894 54.9-151.2-146.0 159.4 79.0 22.4 57.9 14 68 A T E +B 9 0B 52 -2,-0.3 97,-0.2 -5,-0.2 2,-0.2 -0.983 29.7 139.1-144.5 134.2 80.2 25.4 55.9 15 69 A F E -B 8 0B 2 -7,-1.2 -7,-2.7 -2,-0.3 2,-0.3 -0.808 39.3 -97.8-154.3-174.9 79.0 29.0 55.9 16 70 A L E -B 7 0B 0 95,-2.5 11,-0.5 -2,-0.2 2,-0.3 -0.780 18.8-157.6-116.7 162.9 80.0 32.7 55.8 17 71 A A E -B 6 0B 0 -11,-1.7 -11,-1.9 -2,-0.3 2,-0.4 -0.975 7.6-150.4-134.6 153.9 80.6 35.5 58.4 18 72 A T E -BD 5 25B 0 7,-2.6 7,-2.5 -2,-0.3 2,-0.4 -0.987 12.3-135.7-128.5 127.9 80.5 39.2 57.9 19 73 A C E + D 0 24B 0 -15,-2.9 47,-2.5 -2,-0.4 2,-0.3 -0.673 32.3 163.7 -84.5 129.7 82.5 41.8 59.9 20 74 A I E > -eD 66 23B 2 3,-3.1 3,-2.2 -2,-0.4 47,-0.1 -0.977 63.2 -7.2-148.7 132.2 80.6 44.8 61.1 21 75 A N T 3 S- 0 0 77 45,-0.8 3,-0.1 -2,-0.3 -1,-0.1 0.873 129.8 -53.1 50.7 41.0 81.4 47.4 63.7 22 76 A G T 3 S+ 0 0 43 1,-0.2 37,-1.9 44,-0.1 2,-0.4 0.440 118.0 109.5 80.1 -1.9 84.4 45.4 64.8 23 77 A V E < -DF 20 58B 5 -3,-2.2 -3,-3.1 35,-0.2 2,-0.8 -0.863 63.6-138.9-109.2 143.1 82.4 42.2 65.3 24 78 A C E -DF 19 57B 0 33,-3.8 33,-2.3 -2,-0.4 -5,-0.2 -0.866 32.1-169.0-101.3 107.0 82.5 39.1 63.2 25 79 A W E +DF 18 56B 0 -7,-2.5 -7,-2.6 -2,-0.8 2,-0.3 -0.633 18.5 147.8-104.5 150.9 78.9 37.9 62.7 26 80 A T E - F 0 55B 0 29,-2.0 29,-2.3 -9,-0.2 2,-0.4 -0.921 49.4 -67.2-160.5-176.1 77.3 34.7 61.3 27 81 A V E >> - F 0 54B 0 -11,-0.5 3,-2.1 -2,-0.3 4,-2.0 -0.678 27.1-141.1 -91.3 134.5 74.3 32.5 61.9 28 82 A Y H 3> S+ 0 0 72 25,-1.0 4,-2.9 -2,-0.4 -1,-0.1 0.866 101.3 66.1 -52.9 -39.6 73.8 30.5 65.0 29 83 A H H 34 S+ 0 0 81 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.503 111.0 37.6 -70.8 0.8 72.4 27.6 63.0 30 84 A G H <4 S+ 0 0 1 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.751 128.9 24.7-106.9 -50.5 75.9 27.3 61.5 31 85 A A H >< S- 0 0 0 -4,-2.0 3,-1.8 1,-0.3 -3,-0.2 0.644 79.0-169.3 -95.1 -17.3 78.3 28.0 64.3 32 86 A G T 3< - 0 0 13 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.415 69.5 -39.7 58.5-134.9 76.2 27.2 67.4 33 87 A T T 3 S+ 0 0 100 -2,-0.1 12,-0.4 15,-0.1 -1,-0.3 0.299 101.1 141.8-100.9 4.6 78.1 28.3 70.5 34 88 A R < - 0 0 76 -3,-1.8 2,-0.2 1,-0.1 11,-0.2 0.056 49.9-120.3 -46.0 152.7 81.4 27.2 68.9 35 89 A T E -i 336 0C 38 300,-0.6 302,-3.7 9,-0.1 2,-0.4 -0.524 23.8-114.2 -88.5 163.7 84.6 29.2 69.4 36 90 A I E -iJ 337 43C 7 7,-2.5 7,-2.4 300,-0.2 302,-0.2 -0.861 28.5-117.8-102.0 135.9 86.6 30.7 66.5 37 91 A A + 0 0 39 300,-2.9 302,-0.1 -2,-0.4 -1,-0.0 -0.393 37.8 168.3 -65.8 141.4 90.1 29.5 65.8 38 92 A S > - 0 0 44 -2,-0.1 3,-2.7 22,-0.1 300,-0.0 -0.971 50.8-102.8-146.5 163.3 93.0 31.9 66.1 39 93 A P T 3 S+ 0 0 114 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.595 124.7 51.4 -67.3 -4.1 96.8 31.5 66.1 40 94 A K T 3 S- 0 0 205 1,-0.5 -3,-0.0 0, 0.0 0, 0.0 0.129 126.3 -93.1-107.9 16.1 96.7 32.0 69.9 41 95 A G S < S- 0 0 28 -3,-2.7 -1,-0.5 2,-0.0 -5,-0.1 -0.262 71.9 -15.5 94.5 175.7 94.0 29.3 70.3 42 96 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.081 53.6-152.8 -59.2 144.1 90.2 29.5 70.4 43 97 A V B -J 36 0C 47 -7,-2.4 -7,-2.5 15,-0.0 2,-0.2 -0.960 17.7-126.7-118.2 135.6 88.3 32.8 71.0 44 98 A I - 0 0 126 -2,-0.4 -9,-0.1 -9,-0.2 -10,-0.1 -0.488 28.7 -96.7 -86.3 152.2 84.9 32.8 72.6 45 99 A Q - 0 0 19 -12,-0.4 12,-0.3 -11,-0.2 -1,-0.1 -0.240 21.7-158.7 -55.6 147.2 81.8 34.4 71.1 46 100 A M S S+ 0 0 91 10,-3.0 2,-0.4 1,-0.3 11,-0.2 0.629 80.6 32.4 -96.8 -23.2 81.0 37.9 72.4 47 101 A Y E +G 56 0B 57 9,-1.7 9,-1.9 104,-0.0 2,-0.3 -0.997 55.5 174.5-137.5 137.5 77.3 37.5 71.4 48 102 A T E +G 55 0B 73 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.928 7.9 167.2-141.5 116.5 74.9 34.7 71.2 49 103 A N E >>> +G 54 0B 40 5,-2.9 3,-2.8 -2,-0.3 5,-1.2 -0.557 4.9 170.8-134.5 68.4 71.3 35.5 70.3 50 104 A V G >45S+ 0 0 84 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.809 76.4 69.1 -49.6 -37.1 69.5 32.3 69.4 51 105 A D G 345S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.856 115.2 28.2 -49.2 -34.3 66.2 34.3 69.4 52 106 A Q G <45S- 0 0 58 -3,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.332 108.3-117.9-114.5 3.9 67.6 35.9 66.3 53 107 A D T <<5S+ 0 0 10 -3,-1.0 -25,-1.0 -4,-0.6 2,-0.4 0.856 72.0 132.5 63.5 38.0 69.9 33.2 64.9 54 108 A L E < +FG 27 49B 0 -5,-1.2 -5,-2.9 -27,-0.3 2,-0.3 -0.973 30.9 172.7-130.6 129.0 72.8 35.5 65.4 55 109 A V E -FG 26 48B 0 -29,-2.3 -29,-2.0 -2,-0.4 2,-0.4 -0.985 11.1-160.5-130.1 150.5 76.3 35.1 66.9 56 110 A G E -FG 25 47B 0 -9,-1.9 -10,-3.0 -2,-0.3 -9,-1.7 -0.980 8.0-176.2-130.3 143.4 79.3 37.4 67.0 57 111 A W E -F 24 0B 0 -33,-2.3 -33,-3.8 -2,-0.4 2,-0.1 -0.792 45.6 -83.1-116.7 168.7 83.1 37.0 67.6 58 112 A P E -F 23 0B 53 0, 0.0 -35,-0.2 0, 0.0 -36,-0.1 -0.503 64.1 -88.4 -65.5 142.9 85.8 39.7 67.7 59 113 A A - 0 0 41 -37,-1.9 3,-0.1 -2,-0.1 4,-0.1 -0.288 48.7-128.2 -59.1 132.4 86.9 40.6 64.2 60 114 A P > - 0 0 27 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.251 29.9 -84.2 -74.0 165.5 89.8 38.3 63.1 61 115 A Q T 3 S+ 0 0 165 1,-0.2 3,-0.1 -59,-0.0 -59,-0.0 -0.427 116.1 35.1 -62.4 144.7 93.2 39.3 61.7 62 116 A G T 3 S+ 0 0 26 1,-0.3 -59,-1.9 -2,-0.1 2,-0.3 0.628 97.3 119.4 82.5 13.1 93.0 40.0 57.9 63 117 A S B < -a 3 0A 16 -3,-1.0 2,-0.3 -61,-0.2 -1,-0.3 -0.795 46.6-160.0-116.8 159.4 89.5 41.4 58.2 64 118 A R - 0 0 71 -61,-2.2 2,-0.3 -2,-0.3 -45,-0.3 -0.894 25.2-117.6-129.8 149.4 87.9 44.8 57.4 65 119 A S - 0 0 52 -2,-0.3 2,-0.3 -47,-0.1 -45,-0.3 -0.740 18.4-132.0 -95.3 145.5 84.5 46.0 58.8 66 120 A L B -e 20 0B 11 -47,-2.5 -45,-0.8 -2,-0.3 55,-0.1 -0.729 19.1-125.4 -88.4 142.6 81.4 46.8 56.8 67 121 A T - 0 0 60 -2,-0.3 55,-3.0 53,-0.2 2,-0.1 -0.695 29.9-115.6 -81.4 137.1 79.5 50.1 57.4 68 122 A P B -k 122 0D 20 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.441 35.1 -99.6 -69.4 147.8 75.8 49.6 58.1 69 123 A C + 0 0 22 53,-3.0 75,-0.0 1,-0.2 51,-0.0 -0.544 45.8 162.7 -68.3 121.5 73.4 51.0 55.6 70 124 A T + 0 0 73 -2,-0.4 -1,-0.2 210,-0.0 53,-0.0 0.212 63.0 90.4-104.3 8.5 71.9 54.3 56.6 71 125 A C S S- 0 0 21 1,-0.1 -2,-0.0 2,-0.0 -1,-0.0 0.801 77.2-148.2 -93.2 -32.3 70.9 54.6 53.0 72 126 A G + 0 0 56 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.063 38.2 147.5 101.5 -26.0 67.4 53.0 52.9 73 127 A S - 0 0 28 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.183 44.2-147.2 -45.2 160.1 67.2 51.4 49.5 74 128 A S S S+ 0 0 37 2,-0.1 16,-2.5 16,-0.0 2,-0.9 0.354 74.1 99.8-108.8 0.2 65.3 48.3 48.8 75 129 A D E +L 89 0D 71 14,-0.2 2,-0.2 12,-0.0 14,-0.2 -0.784 57.6 178.0 -88.0 105.0 67.7 47.2 46.1 76 130 A L E -L 88 0D 1 12,-2.8 12,-2.1 -2,-0.9 2,-0.4 -0.620 22.0-150.8-107.0 161.7 69.9 44.7 47.9 77 131 A Y E -LM 87 116D 38 39,-1.6 39,-3.4 10,-0.2 2,-0.5 -0.972 7.4-154.3-136.5 124.6 72.8 42.5 46.7 78 132 A L E -LM 86 115D 1 8,-2.8 8,-3.7 -2,-0.4 2,-0.5 -0.838 8.6-151.0-100.7 130.2 73.6 39.2 48.3 79 133 A V E -L 85 0D 1 35,-1.8 6,-0.2 -2,-0.5 47,-0.1 -0.864 12.6-151.2-104.6 129.5 77.2 38.0 48.0 80 134 A T > - 0 0 0 4,-2.3 3,-2.4 -2,-0.5 30,-0.1 -0.420 33.6 -97.8 -97.7 173.5 77.8 34.2 48.0 81 135 A R T 3 S+ 0 0 42 1,-0.3 -1,-0.1 27,-0.2 26,-0.1 0.493 127.4 53.4 -72.3 -2.8 80.7 32.2 49.2 82 136 A H T 3 S- 0 0 115 2,-0.1 -1,-0.3 261,-0.0 287,-0.2 0.271 121.8-108.9-106.5 4.6 82.0 32.2 45.6 83 137 A A < + 0 0 16 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.688 67.4 150.7 72.7 21.0 81.7 36.0 45.4 84 138 A D - 0 0 57 284,-0.0 -4,-2.3 2,-0.0 2,-0.6 -0.569 40.9-138.7 -73.0 149.0 78.7 35.9 43.1 85 139 A V E -L 79 0D 50 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.952 17.6-164.7-117.8 114.5 76.5 39.0 43.6 86 140 A I E -L 78 0D 2 -8,-3.7 -8,-2.8 -2,-0.6 2,-0.1 -0.879 16.8-129.9-110.2 116.7 72.8 38.2 43.5 87 141 A P E -L 77 0D 48 0, 0.0 12,-1.7 0, 0.0 13,-0.5 -0.386 29.9-179.2 -64.7 134.3 70.2 41.0 43.1 88 142 A V E -LN 76 98D 2 -12,-2.1 -12,-2.8 10,-0.2 2,-0.4 -0.992 21.6-141.6-142.3 125.9 67.4 40.9 45.7 89 143 A R E -LN 75 97D 93 8,-3.2 8,-2.7 -2,-0.4 2,-0.4 -0.736 26.8-124.4 -87.7 135.3 64.4 43.2 46.0 90 144 A R E + N 0 96D 54 -16,-2.5 6,-0.3 -2,-0.4 3,-0.1 -0.662 35.8 166.2 -84.5 130.6 63.5 43.9 49.6 91 145 A R E - 0 0 171 4,-2.5 2,-0.2 -2,-0.4 5,-0.2 0.824 59.9 -1.4-105.8 -58.4 60.0 43.1 50.7 92 146 A G E > S- N 0 95D 32 3,-1.0 3,-0.9 1,-0.0 -1,-0.3 -0.623 90.8 -70.9-125.3-174.7 59.8 43.3 54.5 93 147 A D T 3 S+ 0 0 135 1,-0.3 -3,-0.0 -2,-0.2 3,-0.0 0.803 132.6 8.4 -41.9 -38.8 62.0 43.9 57.6 94 148 A S T 3 S+ 0 0 51 48,-0.1 47,-2.0 49,-0.1 2,-0.4 0.101 115.3 86.0-138.8 21.3 63.7 40.6 57.0 95 149 A R E < +NO 92 140D 97 -3,-0.9 -4,-2.5 45,-0.2 -3,-1.0 -0.953 40.4 165.6-130.0 146.2 62.5 39.3 53.6 96 150 A G E -NO 90 139D 0 43,-1.6 43,-2.7 -2,-0.4 2,-0.4 -0.981 24.6-131.2-156.1 151.2 63.6 39.9 50.0 97 151 A S E -NO 89 138D 23 -8,-2.7 -8,-3.2 -2,-0.3 41,-0.3 -0.849 23.3-116.9-109.3 138.4 63.0 38.3 46.6 98 152 A L E -N 88 0D 10 39,-2.0 -10,-0.2 -2,-0.4 -12,-0.0 -0.489 12.1-145.9 -66.6 133.1 65.5 37.3 44.0 99 153 A L E S+ 0 0 107 -12,-1.7 -1,-0.2 1,-0.3 -11,-0.1 0.864 100.3 27.7 -66.0 -34.7 65.1 39.2 40.8 100 154 A S E S- 0 0 78 -13,-0.5 -1,-0.3 -3,-0.0 -2,-0.0 -0.840 95.2-134.7-127.8 97.4 66.2 36.0 39.1 101 155 A P E - 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