==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-04 1W3C . COMPND 2 MOLECULE: PROTEASE/HELICASE NS3 (P70); . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS (ISOLATE 1); . AUTHOR S.DI MARCO,C.VOLPARI . 370 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 71.1 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 . 144 38.9 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 . 7 1.9 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 . 35 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.2 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 0 2 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 2 7 1 12 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 3 A I 0 0 80 0, 0.0 2,-0.3 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 127.6 50.3 5.1 -5.2 2 4 A T - 0 0 82 358,-2.7 358,-2.7 108,-0.1 2,-0.3 -0.971 360.0-171.6-123.5 152.9 52.9 2.7 -3.8 3 5 A A E -A 359 0A 23 106,-0.4 2,-0.3 -2,-0.3 356,-0.2 -0.972 8.6-177.4-137.3 152.7 56.7 2.6 -4.0 4 6 A Y E -A 358 0A 123 354,-1.5 354,-2.8 -2,-0.3 2,-0.2 -0.985 19.4-136.8-141.9 150.6 59.6 0.3 -3.1 5 7 A S E -A 357 0A 65 -2,-0.3 2,-0.3 352,-0.2 352,-0.2 -0.587 9.3-163.3-110.6 162.3 63.4 0.9 -3.4 6 8 A Q E -A 356 0A 77 350,-2.4 350,-1.9 -2,-0.2 2,-0.2 -0.894 13.7-145.7-147.0 105.4 66.3 -1.1 -4.5 7 9 A Q E +A 355 0A 167 -2,-0.3 348,-0.3 348,-0.2 3,-0.1 -0.518 17.6 178.1 -70.1 146.2 69.9 -0.2 -3.7 8 10 A T + 0 0 44 346,-2.7 2,-0.3 1,-0.2 347,-0.2 0.419 57.9 37.5-128.2 -12.2 72.3 -1.0 -6.5 9 11 A R - 0 0 43 345,-1.5 -1,-0.2 16,-0.0 2,-0.2 -0.977 59.0-146.7-143.8 153.8 75.7 0.2 -5.2 10 12 A G > - 0 0 46 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.553 43.5 -86.1-108.2-168.4 77.8 0.4 -2.1 11 13 A L H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.902 120.3 49.1 -73.3 -45.6 80.3 3.0 -1.0 12 14 A L H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.974 114.1 47.2 -61.6 -51.0 83.4 1.9 -2.6 13 15 A G H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 108.6 54.5 -59.8 -40.6 81.7 1.4 -6.0 14 16 A C H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.919 108.9 49.7 -54.7 -57.4 80.0 4.9 -5.8 15 17 A I H X S+ 0 0 85 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.960 114.1 42.9 -41.2 -57.5 83.4 6.5 -5.3 16 18 A I H X S+ 0 0 85 -4,-2.1 4,-2.3 1,-0.2 6,-0.2 0.875 111.4 54.0 -67.3 -43.0 85.1 4.8 -8.2 17 19 A T H X S+ 0 0 7 -4,-2.3 4,-3.8 1,-0.2 5,-0.3 0.896 105.1 55.6 -55.2 -41.4 82.2 5.3 -10.6 18 20 A S H < S+ 0 0 21 -4,-2.1 332,-2.6 2,-0.2 -1,-0.2 0.846 111.0 44.5 -57.3 -40.2 82.3 9.0 -9.8 19 21 A L H < S+ 0 0 142 -4,-1.3 -2,-0.2 330,-0.2 -1,-0.2 0.835 121.7 37.8 -77.3 -33.8 86.0 9.1 -10.8 20 22 A T H < S- 0 0 72 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.792 86.8-145.7 -86.6 -33.4 85.5 7.0 -14.0 21 23 A G < + 0 0 1 -4,-3.8 43,-1.9 1,-0.2 2,-0.7 0.439 60.7 125.2 81.9 2.3 82.1 8.3 -15.1 22 24 A R B +h 64 0B 122 -5,-0.3 2,-0.7 -6,-0.2 -1,-0.2 -0.832 36.7 180.0-110.8 106.8 81.4 4.7 -16.3 23 25 A D + 0 0 5 41,-3.9 44,-0.1 -2,-0.7 43,-0.0 -0.871 9.7 169.4-104.5 102.9 78.2 3.1 -14.9 24 26 A K + 0 0 150 -2,-0.7 2,-0.2 2,-0.1 -1,-0.1 0.440 42.4 114.0 -90.4 1.4 77.7 -0.5 -16.2 25 27 A N S S- 0 0 65 328,-0.1 2,-0.3 1,-0.1 328,-0.1 -0.528 77.1-108.4 -67.2 138.6 74.9 -1.3 -13.8 26 28 A Q - 0 0 143 -2,-0.2 2,-0.3 62,-0.0 62,-0.1 -0.488 36.4-145.5 -60.4 123.8 71.5 -1.9 -15.4 27 29 A V + 0 0 12 60,-0.6 2,-0.3 -2,-0.3 329,-0.1 -0.725 29.4 151.4 -91.6 142.3 69.2 1.1 -14.6 28 30 A D + 0 0 34 -2,-0.3 61,-0.2 3,-0.1 3,-0.2 -0.974 25.4 58.9-160.3 175.0 65.5 0.8 -14.0 29 31 A G S S- 0 0 0 59,-0.5 61,-3.9 -2,-0.3 329,-0.2 -0.240 79.5 -87.4 88.1 179.6 62.5 2.4 -12.1 30 32 A E S S+ 0 0 28 327,-1.9 15,-2.3 1,-0.2 2,-0.4 0.522 106.6 46.9-101.5 -26.2 61.2 5.9 -12.3 31 33 A V E S-BC 44 357A 0 326,-1.2 326,-2.6 13,-0.2 2,-0.4 -0.984 70.3-148.5-132.4 120.9 63.3 7.6 -9.7 32 34 A Q E -BC 43 356A 0 11,-2.3 11,-2.1 -2,-0.4 2,-0.7 -0.738 10.8-139.7 -94.0 135.5 67.1 7.4 -9.4 33 35 A V E -BC 42 355A 14 322,-2.5 321,-3.0 -2,-0.4 322,-1.0 -0.883 32.7-168.3 -89.7 112.4 68.8 7.6 -6.0 34 36 A L E -BC 41 353A 1 7,-2.6 7,-1.8 -2,-0.7 2,-0.3 -0.757 12.1-173.3-104.2 155.7 71.9 9.7 -6.7 35 37 A S E +BC 40 352A 18 317,-2.0 317,-2.4 -2,-0.3 5,-0.2 -0.993 10.8 178.5-146.7 142.8 75.0 10.5 -4.8 36 38 A T - 0 0 9 3,-3.3 315,-0.1 -2,-0.3 -21,-0.1 -0.619 53.6 -90.5-109.1-165.3 78.1 12.6 -5.0 37 39 A A S S+ 0 0 107 -2,-0.2 -1,-0.0 1,-0.1 -22,-0.0 0.946 127.5 37.1 -67.6 -49.2 80.9 12.9 -2.4 38 40 A T S S+ 0 0 111 1,-0.1 2,-0.3 18,-0.1 -1,-0.1 0.862 123.6 12.0 -71.3 -45.0 79.1 15.7 -0.6 39 41 A Q - 0 0 72 17,-0.1 -3,-3.3 96,-0.0 2,-0.4 -0.907 48.4-139.8-143.9 168.4 75.4 14.6 -1.0 40 42 A S E +B 35 0A 39 -2,-0.3 97,-0.2 -5,-0.2 -5,-0.2 -0.986 36.9 139.7-131.2 128.0 72.7 12.2 -1.8 41 43 A F E -B 34 0A 4 -7,-1.8 -7,-2.6 -2,-0.4 2,-0.3 -0.647 39.1-100.3-148.4-167.3 69.5 13.1 -3.6 42 44 A L E -B 33 0A 0 95,-3.0 11,-0.5 -9,-0.2 2,-0.4 -0.928 13.1-150.9-129.8 164.1 67.0 11.8 -6.3 43 45 A A E -B 32 0A 0 -11,-2.1 -11,-2.3 -2,-0.3 2,-0.5 -0.975 12.0-146.6-135.3 130.5 66.2 12.3 -9.9 44 46 A T E -BD 31 51A 0 7,-2.7 7,-2.9 -2,-0.4 2,-0.5 -0.942 13.6-138.0 -96.6 124.3 62.8 11.9 -11.6 45 47 A C E + D 0 50A 0 -15,-2.3 47,-3.0 -2,-0.5 2,-0.4 -0.717 31.0 166.7 -83.2 117.4 62.6 10.5 -15.1 46 48 A V E > -eD 92 49A 3 3,-2.2 3,-1.2 -2,-0.5 47,-0.2 -0.980 69.2 -14.6-136.4 111.7 60.0 12.4 -17.2 47 49 A N T 3 S- 0 0 105 45,-1.9 3,-0.1 -2,-0.4 46,-0.1 0.793 127.4 -51.4 57.1 37.7 60.0 12.1 -21.0 48 50 A G T 3 S+ 0 0 39 1,-0.2 37,-2.3 44,-0.2 2,-0.4 0.678 115.4 105.5 80.7 15.8 63.4 10.5 -21.3 49 51 A V E < -DF 46 84A 19 -3,-1.2 -3,-2.2 35,-0.3 2,-0.9 -0.997 65.3-137.2-118.9 134.3 65.3 13.1 -19.2 50 52 A C E -DF 45 83A 2 33,-3.8 33,-2.2 -2,-0.4 2,-0.4 -0.847 29.7-160.8 -89.1 114.0 66.5 12.4 -15.7 51 53 A W E +DF 44 82A 11 -7,-2.9 -7,-2.7 -2,-0.9 2,-0.2 -0.738 19.9 150.3-100.6 152.5 65.7 15.5 -13.7 52 54 A T E - F 0 81A 0 29,-2.1 29,-2.5 -2,-0.4 2,-0.3 -0.823 46.5 -68.9-161.4 173.2 67.1 16.7 -10.4 53 55 A V E >> - F 0 80A 0 -11,-0.5 4,-2.2 -2,-0.2 3,-1.2 -0.623 28.9-142.5 -79.6 135.3 67.9 19.7 -8.3 54 56 A Y H 3> S+ 0 0 72 25,-1.9 4,-2.2 -2,-0.3 -1,-0.1 0.847 101.1 62.9 -65.2 -31.5 70.8 22.0 -9.3 55 57 A H H 34 S+ 0 0 80 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.676 112.1 38.8 -72.1 -13.6 71.8 22.6 -5.7 56 58 A G H <4 S+ 0 0 4 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.885 127.1 27.1 -93.1 -57.1 72.5 18.8 -5.6 57 59 A A H >< S- 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -3,-0.2 0.717 81.6-170.0 -81.7 -23.5 74.1 17.9 -8.9 58 60 A G T 3< - 0 0 21 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.403 66.3 -42.3 59.6-135.8 75.6 21.3 -9.7 59 61 A S T 3 S+ 0 0 94 -2,-0.1 12,-0.3 15,-0.1 -1,-0.2 0.241 101.1 136.1-106.6 25.0 76.8 21.1 -13.3 60 62 A K < - 0 0 73 -3,-1.8 290,-0.1 1,-0.1 -3,-0.0 -0.203 54.9-111.4 -76.0 152.8 78.3 17.6 -13.0 61 63 A T - 0 0 41 9,-0.1 290,-3.1 288,-0.1 2,-0.5 -0.183 25.5-123.9 -71.3 159.8 78.0 14.7 -15.4 62 64 A L B -Ij 69 351C 1 7,-1.6 7,-2.9 288,-0.2 290,-0.2 -0.976 28.2-114.9-110.1 124.6 76.0 11.6 -14.7 63 65 A A + 0 0 1 288,-2.8 290,-0.2 -2,-0.5 -41,-0.2 -0.392 46.1 175.4 -66.8 137.5 77.9 8.3 -14.9 64 66 A G B > -h 22 0B 1 -43,-1.9 -41,-3.9 -2,-0.2 3,-1.8 -0.749 47.4 -88.3-138.0 179.6 76.5 6.1 -17.7 65 67 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.868 129.6 34.9 -64.8 -35.5 77.0 2.9 -19.6 66 68 A K T 3 S- 0 0 207 1,-0.4 -44,-0.1 -44,-0.1 -42,-0.1 0.184 128.7 -86.1 -99.5 16.8 79.3 4.7 -22.0 67 69 A G S < S+ 0 0 9 -3,-1.8 -1,-0.4 -46,-0.2 -46,-0.2 -0.588 84.9 3.4 104.4-177.4 80.9 7.1 -19.5 68 70 A P - 0 0 71 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.071 60.3-143.9 -50.8 134.3 79.9 10.5 -18.3 69 71 A I B -I 62 0C 29 -7,-2.9 -7,-1.6 -48,-0.1 2,-0.1 -0.905 16.5-135.9 -99.4 121.0 76.6 11.9 -19.5 70 72 A T - 0 0 108 -2,-0.6 -9,-0.1 -9,-0.2 -10,-0.1 -0.469 29.4-100.1 -72.1 143.6 76.6 15.7 -20.0 71 73 A Q - 0 0 19 -12,-0.3 12,-0.3 1,-0.2 3,-0.1 -0.410 29.1-166.9 -56.4 134.5 73.6 17.7 -18.7 72 74 A M S S+ 0 0 94 10,-2.4 2,-0.4 1,-0.3 11,-0.2 0.588 79.0 36.1 -93.1 -22.5 71.3 18.5 -21.6 73 75 A Y E +G 82 0A 60 9,-2.0 9,-2.6 2,-0.0 2,-0.4 -0.993 62.9 171.5-138.5 126.5 69.4 21.1 -19.4 74 76 A T E +G 81 0A 75 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.898 3.4 166.8-138.1 104.0 70.9 23.4 -16.9 75 77 A N E > -G 80 0A 50 5,-2.9 5,-2.0 -2,-0.4 4,-0.4 -0.844 9.1-178.5-124.6 99.1 68.8 26.1 -15.3 76 78 A V T 5S+ 0 0 77 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.788 82.8 51.1 -70.2 -29.5 70.4 27.7 -12.2 77 79 A D T 5S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.773 113.7 42.7 -79.9 -33.4 67.5 30.0 -11.5 78 80 A Q T 5S- 0 0 36 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.336 107.8-127.9 -86.0 2.8 64.8 27.3 -11.6 79 81 A D T 5 + 0 0 10 -4,-0.4 -25,-1.9 -3,-0.3 2,-0.4 0.827 66.0 133.7 54.2 34.4 67.2 25.1 -9.6 80 82 A L E < +FG 53 75A 0 -5,-2.0 -5,-2.9 -27,-0.3 2,-0.3 -0.927 31.5 173.8-121.2 126.7 66.6 22.4 -12.3 81 83 A V E -FG 52 74A 0 -29,-2.5 -29,-2.1 -2,-0.4 2,-0.3 -0.936 9.4-165.1-128.4 156.8 69.1 20.2 -14.2 82 84 A G E -FG 51 73A 0 -9,-2.6 -10,-2.4 -2,-0.3 -9,-2.0 -0.995 6.4-166.7-144.3 131.5 68.4 17.4 -16.6 83 85 A W E -F 50 0A 0 -33,-2.2 -33,-3.8 -2,-0.3 -12,-0.1 -0.967 42.9 -96.3-112.2 139.2 70.4 14.5 -18.2 84 86 A P E -F 49 0A 60 0, 0.0 -35,-0.3 0, 0.0 -36,-0.1 -0.305 60.4-104.7 -39.7 120.3 69.4 12.4 -21.1 85 87 A A - 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