==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-00 1DXP . COMPND 2 MOLECULE: PROTEASE/HELICASE NS3 (P70); . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS (ISOLATE 1); . AUTHOR S.DI MARCO,M.RIZZI,C.VOLPARI,M.WALSH,F.NARJES,S.COLARUSSO, . 374 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 38.5 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 . 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 . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.1 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 . 9 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 1 A A 0 0 102 0, 0.0 113,-0.0 0, 0.0 104,-0.0 0.000 360.0 360.0 360.0 170.8 17.5 41.3 0.0 2 2 A P + 0 0 68 0, 0.0 2,-0.4 0, 0.0 103,-0.0 0.594 360.0 52.0 -92.9 -20.1 18.5 41.8 3.7 3 3 A I - 0 0 14 141,-0.1 2,-0.3 110,-0.1 110,-0.1 -0.929 69.1-159.7-112.5 147.4 17.1 38.4 4.9 4 4 A T - 0 0 81 360,-2.7 360,-2.1 -2,-0.4 2,-0.3 -0.772 9.3-175.5-117.1 164.7 17.9 35.0 3.4 5 5 A A E -A 363 0A 20 106,-0.3 2,-0.3 -2,-0.3 358,-0.2 -0.973 8.0-170.6-150.3 145.3 15.9 31.8 3.8 6 6 A Y E -A 362 0A 124 356,-1.4 356,-2.8 -2,-0.3 2,-0.2 -0.989 15.4-136.6-135.5 157.2 16.2 28.2 2.7 7 7 A S E -A 361 0A 60 -2,-0.3 2,-0.3 103,-0.2 354,-0.2 -0.645 10.8-170.4 -95.1 163.4 13.8 25.2 2.9 8 8 A Q E -A 360 0A 88 352,-2.0 352,-2.5 -2,-0.2 2,-0.2 -0.954 21.4-136.9-146.1 129.8 14.3 21.6 3.9 9 9 A Q E -A 359 0A 172 -2,-0.3 350,-0.3 350,-0.2 3,-0.1 -0.541 17.5-173.8 -85.6 152.3 11.6 19.1 3.2 10 10 A T + 0 0 40 348,-3.1 2,-0.3 1,-0.5 349,-0.2 0.625 61.1 5.7-122.1 -16.5 10.7 16.7 6.0 11 11 A R - 0 0 44 347,-1.3 -1,-0.5 3,-0.0 2,-0.2 -0.905 57.7-152.5-150.5 167.2 8.2 14.1 4.7 12 12 A G > - 0 0 47 -2,-0.3 4,-1.6 -3,-0.1 5,-0.0 -0.293 52.8 -56.0-126.6-150.9 6.5 13.3 1.4 13 13 A L H >> S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 3,-0.9 0.956 127.6 46.9 -53.2 -64.4 3.1 11.7 0.7 14 14 A L H 3> S+ 0 0 116 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.921 117.6 45.6 -56.5 -40.1 3.1 8.4 2.5 15 15 A G H 3> S+ 0 0 25 2,-0.2 4,-1.4 3,-0.2 -1,-0.3 0.845 113.9 52.1 -66.7 -30.0 4.4 10.1 5.6 16 16 A C H XX S+ 0 0 13 -4,-1.6 4,-2.0 -3,-0.9 3,-1.6 0.992 111.8 40.6 -71.0 -64.5 1.9 12.9 5.1 17 17 A I H 3X S+ 0 0 87 -4,-1.5 4,-1.1 1,-0.3 -2,-0.2 0.832 116.8 52.4 -49.4 -43.2 -1.4 10.9 4.8 18 18 A I H 3X S+ 0 0 87 -4,-2.1 4,-0.8 -5,-0.5 -1,-0.3 0.820 110.3 46.7 -63.6 -33.1 -0.2 8.6 7.5 19 19 A T H -eD 94 51A 2 3,-2.9 3,-1.6 -2,-0.9 47,-0.2 -0.963 67.8 -22.1-118.3 126.9 5.9 33.9 16.9 49 49 A N T 3 S- 0 0 112 45,-1.9 -1,-0.2 -2,-0.5 3,-0.1 0.933 127.6 -46.6 43.4 52.3 6.4 33.9 20.7 50 50 A G T 3 S+ 0 0 39 1,-0.2 37,-2.5 44,-0.1 2,-0.4 0.551 118.7 107.0 73.2 5.2 5.9 30.2 21.1 51 51 A V E < -DF 48 86A 16 -3,-1.6 -3,-2.9 35,-0.2 2,-0.7 -0.967 63.0-143.6-118.2 126.4 2.8 30.1 18.9 52 52 A C E -DF 47 85A 0 33,-2.7 33,-2.1 -2,-0.4 2,-0.4 -0.904 29.0-162.1 -76.4 115.2 2.7 28.6 15.4 53 53 A W E +DF 46 84A 14 -7,-2.6 -7,-2.1 -2,-0.7 2,-0.3 -0.861 19.1 152.8-113.0 136.5 0.4 30.9 13.6 54 54 A T E - F 0 83A 0 29,-2.6 29,-3.1 -2,-0.4 2,-0.3 -0.892 44.8 -74.0-149.0-177.8 -1.4 30.3 10.3 55 55 A V E >> - F 0 82A 0 -11,-0.4 4,-2.0 -2,-0.3 3,-1.6 -0.634 26.5-141.7 -87.8 135.4 -4.5 31.1 8.2 56 56 A Y H 3> S+ 0 0 69 25,-1.2 4,-1.9 -2,-0.3 -1,-0.1 0.829 100.8 65.6 -67.9 -31.0 -7.9 29.7 9.1 57 57 A H H 34 S+ 0 0 84 24,-0.2 -1,-0.3 1,-0.2 25,-0.1 0.644 111.8 38.3 -64.6 -9.8 -8.8 29.3 5.5 58 58 A G H <4 S+ 0 0 4 -3,-1.6 -2,-0.2 23,-0.1 -1,-0.2 0.790 125.9 28.4-103.0 -41.8 -6.0 26.7 5.4 59 59 A A H >< S- 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -3,-0.2 0.734 79.3-169.1 -98.8 -13.8 -6.1 24.8 8.8 60 60 A G T 3< - 0 0 21 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.369 68.3 -40.8 61.0-124.8 -9.8 25.1 9.5 61 61 A S T 3 S+ 0 0 93 15,-0.0 12,-0.3 22,-0.0 -1,-0.2 0.048 101.0 140.2-120.3 27.2 -10.2 23.9 13.1 62 62 A K < - 0 0 68 -3,-2.1 292,-0.1 1,-0.1 11,-0.1 -0.242 52.8-117.9 -77.4 158.0 -7.7 21.1 12.8 63 63 A T - 0 0 41 290,-0.3 292,-4.0 9,-0.1 2,-0.5 -0.350 27.4-123.1 -75.5 162.8 -5.1 19.8 15.2 64 64 A L B -Jk 71 355D 2 7,-1.5 7,-2.7 290,-0.3 292,-0.2 -0.988 32.4-107.0-108.0 117.9 -1.5 19.9 14.1 65 65 A A + 0 0 4 290,-3.1 292,-0.3 -2,-0.5 -41,-0.2 -0.278 52.2 179.6 -47.4 128.0 0.3 16.5 14.3 66 66 A G B > -h 24 0B 1 -43,-1.8 -41,-4.2 1,-0.1 3,-1.1 -0.602 43.7 -96.4-129.7-174.5 2.7 16.5 17.3 67 67 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.926 124.6 34.1 -72.6 -42.3 5.2 14.5 19.3 68 68 A K T 3 S- 0 0 203 1,-0.4 -44,-0.1 -44,-0.1 -42,-0.1 -0.308 131.8 -75.7-103.8 44.9 2.6 13.4 21.8 69 69 A G S < S- 0 0 17 -3,-1.1 -1,-0.4 -44,-0.1 -45,-0.1 -0.124 87.4 -11.4 78.8 176.9 -0.3 13.1 19.4 70 70 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.105 62.6-135.3 -68.4 141.2 -2.4 15.8 17.9 71 71 A I B -J 64 0D 34 -7,-2.7 -7,-1.5 -48,-0.1 2,-0.2 -0.776 14.6-134.2-100.8 129.1 -2.2 19.4 19.1 72 72 A T - 0 0 102 -2,-0.5 -9,-0.1 -9,-0.2 -10,-0.1 -0.531 27.0-104.9 -80.8 136.8 -5.3 21.5 19.8 73 73 A Q - 0 0 19 -12,-0.3 12,-0.3 -2,-0.2 3,-0.1 -0.282 25.8-168.9 -54.1 142.3 -5.5 25.1 18.5 74 74 A M S S+ 0 0 97 10,-2.5 2,-0.3 1,-0.3 11,-0.2 0.297 80.7 39.0-105.3 -3.7 -5.1 27.5 21.4 75 75 A Y E +G 84 0A 58 9,-1.5 9,-2.4 11,-0.0 2,-0.4 -0.913 62.1 166.1-149.4 124.7 -6.3 30.3 19.1 76 76 A T E +G 83 0A 74 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.917 4.1 163.8-143.9 108.3 -9.0 30.1 16.6 77 77 A N E > -G 82 0A 55 5,-2.7 5,-2.2 -2,-0.4 4,-0.4 -0.790 11.7-175.6-139.0 86.4 -10.4 33.3 15.1 78 78 A V T > 5S+ 0 0 76 -2,-0.4 3,-1.1 3,-0.2 -1,-0.1 0.829 81.7 51.0 -47.4 -44.4 -12.4 32.8 11.9 79 79 A D T 3 5S+ 0 0 155 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.936 114.1 45.0 -69.5 -46.4 -13.1 36.5 11.0 80 80 A Q T 3 5S- 0 0 42 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.464 107.6-130.1 -70.7 -6.8 -9.4 37.4 11.4 81 81 A D T < 5 + 0 0 14 -3,-1.1 -25,-1.2 -4,-0.4 2,-0.4 0.828 64.5 134.6 60.9 27.7 -8.6 34.2 9.4 82 82 A L E < +FG 55 77A 0 -5,-2.2 -5,-2.7 -27,-0.3 2,-0.3 -0.946 31.2 172.0-113.8 134.4 -6.1 33.4 12.1 83 83 A V E -FG 54 76A 0 -29,-3.1 -29,-2.6 -2,-0.4 2,-0.3 -0.937 9.1-165.9-132.6 162.3 -5.3 30.2 14.0 84 84 A G E -FG 53 75A 0 -9,-2.4 -10,-2.5 -2,-0.3 -9,-1.5 -1.000 6.4-171.5-145.0 125.6 -2.6 29.4 16.5 85 85 A W E -F 52 0A 0 -33,-2.1 -33,-2.7 -2,-0.3 2,-0.2 -0.961 44.5 -96.9-113.3 142.6 -1.2 26.2 18.0 86 86 A P E -F 51 0A 59 0, 0.0 -35,-0.2 0, 0.0 -36,-0.1 -0.469 56.8-109.4 -42.0 122.8 1.3 26.1 20.9 87 87 A A - 0 0 26 -37,-2.5 3,-0.1 -2,-0.2 6,-0.0 -0.493 29.9-112.6 -69.8 137.2 4.5 25.6 18.8 88 88 A P > - 0 0 10 0, 0.0 3,-1.8 0, 0.0 2,-0.2 -0.207 42.9 -88.6 -61.2 147.7 6.2 22.2 19.0 89 89 A P T 3 S+ 0 0 105 0, 0.0 -60,-0.6 0, 0.0 3,-0.1 -0.473 115.8 44.2 -60.6 134.9 9.6 22.1 20.8 90 90 A G T 3 S+ 0 0 42 1,-0.5 -59,-0.6 -2,-0.2 -62,-0.0 -0.058 80.9 126.5 117.9 -28.3 12.3 22.8 18.2 91 91 A A B < -i 31 0C 24 -3,-1.8 2,-0.8 -61,-0.2 -1,-0.5 -0.296 62.2-127.7 -68.3 141.7 10.5 25.7 16.5 92 92 A R - 0 0 101 -61,-3.0 2,-0.4 -3,-0.1 -45,-0.3 -0.824 26.8-145.5 -89.2 111.7 12.5 28.9 16.3 93 93 A S - 0 0 64 -2,-0.8 -45,-0.2 -45,-0.1 2,-0.2 -0.626 13.1-156.0 -87.1 130.6 10.3 31.5 17.7 94 94 A M B -e 48 0A 17 -47,-2.8 -45,-1.9 -2,-0.4 55,-0.1 -0.519 12.3-115.0 -93.4 178.9 10.4 35.0 16.2 95 95 A T - 0 0 61 53,-0.3 55,-2.2 -2,-0.2 -47,-0.0 -0.916 23.8-104.1-129.4 139.4 9.6 38.4 17.6 96 96 A P B -l 150 0E 40 0, 0.0 55,-0.2 0, 0.0 2,-0.1 -0.236 41.3-111.9 -50.3 134.9 7.0 41.1 16.9 97 97 A C + 0 0 22 53,-3.7 51,-0.0 1,-0.1 53,-0.0 -0.383 37.7 167.3 -67.1 146.8 8.2 44.2 15.0 98 98 A T + 0 0 137 -2,-0.1 -1,-0.1 0, 0.0 53,-0.0 0.315 59.0 86.0-130.3 -0.7 8.3 47.5 16.7 99 99 A C S S- 0 0 78 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.542 84.5-138.3 -80.4 -9.3 10.3 49.7 14.3 100 100 A G + 0 0 51 1,-0.2 -1,-0.1 2,-0.0 51,-0.0 0.688 39.7 171.5 67.4 23.6 7.2 50.5 12.3 101 101 A S - 0 0 15 1,-0.1 -1,-0.2 2,-0.1 -4,-0.0 -0.144 34.2-155.4 -71.1 157.1 9.1 50.1 9.1 102 102 A S S S+ 0 0 14 15,-0.1 16,-3.2 1,-0.1 2,-1.0 0.473 72.2 91.4-112.0 -5.8 7.3 50.1 5.7 103 103 A D E +M 117 0E 28 14,-0.2 2,-0.3 188,-0.0 14,-0.2 -0.795 63.1 177.5 -82.2 104.0 10.0 48.1 3.9 104 104 A L E -M 116 0E 1 12,-3.5 12,-5.2 -2,-1.0 2,-0.4 -0.729 23.2-147.8-114.6 161.3 8.7 44.5 4.3 105 105 A Y E -MN 115 144E 15 39,-1.9 39,-2.7 10,-0.3 2,-0.5 -0.980 8.0-150.0-128.7 118.8 9.8 41.2 3.1 106 106 A L E -MN 114 143E 0 8,-3.3 8,-3.0 -2,-0.4 2,-0.5 -0.754 7.5-152.3 -90.3 131.6 7.6 38.3 2.3 107 107 A V E -M 113 0E 0 35,-2.3 2,-0.2 -2,-0.5 6,-0.2 -0.841 16.0-158.2-102.3 120.5 8.9 34.8 2.8 108 108 A T > - 0 0 0 4,-2.0 3,-2.8 -2,-0.5 4,-0.1 -0.666 33.8 -99.5 -96.7 161.8 7.3 32.2 0.5 109 109 A R T 3 S+ 0 0 43 1,-0.3 -1,-0.1 -2,-0.2 26,-0.1 0.641 126.0 54.0 -43.3 -35.7 7.0 28.4 0.8 110 110 A H T 3 S- 0 0 98 24,-0.2 -1,-0.3 2,-0.1 -103,-0.2 0.143 120.7-111.5 -80.7 6.4 10.0 28.1 -1.5 111 111 A A < + 0 0 12 -3,-2.8 -106,-0.3 1,-0.2 2,-0.3 0.786 65.2 150.2 51.3 30.1 12.0 30.4 0.8 112 112 A D - 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