==== 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/HYDROLASE INHIBITOR 31-JAN-00 1DY9 . 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, . 376 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 72.1 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 . 146 38.8 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 . 9 2.4 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 . 4 1.1 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 . 34 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.2 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 3 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 . 1 2 8 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 1 1 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 90 0, 0.0 104,-0.0 0, 0.0 112,-0.0 0.000 360.0 360.0 360.0 129.8 64.4 40.0 6.8 2 2 A P + 0 0 76 0, 0.0 2,-0.2 0, 0.0 145,-0.0 0.834 360.0 70.2 -83.9 -41.2 66.4 40.1 3.5 3 3 A I - 0 0 16 141,-0.1 2,-0.3 360,-0.0 110,-0.1 -0.551 68.6-157.7 -80.3 145.4 64.8 43.2 2.1 4 4 A T - 0 0 80 360,-2.6 360,-1.6 -2,-0.2 2,-0.3 -0.938 9.1-174.4-126.3 158.4 65.5 46.6 3.6 5 5 A A E -A 363 0A 22 106,-0.4 2,-0.3 -2,-0.3 358,-0.2 -0.989 9.5-176.6-147.5 147.8 63.6 49.9 3.5 6 6 A Y E -A 362 0A 122 356,-1.7 356,-3.1 -2,-0.3 2,-0.3 -0.973 17.3-137.1-142.2 160.5 63.8 53.5 4.6 7 7 A S E -A 361 0A 63 -2,-0.3 2,-0.4 354,-0.2 354,-0.2 -0.744 7.0-162.7-114.7 157.7 61.4 56.5 4.3 8 8 A Q E -A 360 0A 77 352,-2.2 352,-1.8 -2,-0.3 2,-0.1 -0.956 17.9-139.6-135.1 120.5 61.7 60.1 3.4 9 9 A Q E +A 359 0A 164 -2,-0.4 350,-0.3 350,-0.2 3,-0.1 -0.499 19.9 179.6 -73.1 151.6 59.0 62.6 4.4 10 10 A T + 0 0 44 348,-2.6 2,-0.3 1,-0.4 349,-0.2 0.499 59.2 19.0-132.2 -17.2 58.3 65.2 1.6 11 11 A R - 0 0 49 347,-1.5 -1,-0.4 16,-0.0 2,-0.2 -0.980 60.1-145.0-149.3 164.2 55.5 67.4 3.0 12 12 A G > - 0 0 43 -2,-0.3 4,-1.7 -3,-0.1 5,-0.2 -0.571 48.5 -71.6-120.8-172.6 54.0 68.5 6.3 13 13 A L H > S+ 0 0 141 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.792 124.3 47.4 -49.6 -42.3 50.4 69.4 7.3 14 14 A L H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.977 112.8 44.2 -74.8 -54.5 50.1 72.7 5.6 15 15 A G H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.776 114.0 55.8 -51.9 -37.5 51.5 71.8 2.2 16 16 A C H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.889 106.4 46.8 -64.7 -44.7 49.3 68.7 2.4 17 17 A I H X S+ 0 0 86 -4,-1.9 4,-1.5 -3,-0.3 -2,-0.2 0.978 118.0 44.1 -65.3 -44.4 46.0 70.6 3.0 18 18 A I H X S+ 0 0 87 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.871 111.2 52.0 -67.5 -41.2 46.9 73.0 0.2 19 19 A T H X S+ 0 0 6 -4,-2.2 4,-2.2 -5,-0.3 5,-0.3 0.911 107.6 54.2 -66.4 -31.7 48.0 70.2 -2.2 20 20 A S H < S+ 0 0 20 -4,-2.3 334,-2.6 1,-0.2 -2,-0.2 0.866 112.3 44.1 -64.9 -35.9 44.7 68.4 -1.5 21 21 A L H < S+ 0 0 136 -4,-1.5 -1,-0.2 332,-0.2 -2,-0.2 0.788 121.0 37.1 -82.1 -32.3 42.7 71.5 -2.5 22 22 A T H < S- 0 0 82 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.720 88.9-146.7 -85.5 -30.3 44.7 72.4 -5.6 23 23 A G < + 0 0 1 -4,-2.2 43,-1.4 -5,-0.3 2,-0.6 0.594 60.5 122.9 68.6 18.3 45.3 68.8 -6.7 24 24 A R B -h 66 0B 152 -5,-0.3 2,-0.6 -6,-0.3 -1,-0.2 -0.896 39.0-177.8-118.8 111.9 48.7 70.0 -8.0 25 25 A D + 0 0 5 41,-1.9 44,-0.1 -2,-0.6 43,-0.1 -0.914 10.7 174.6-111.9 109.9 51.8 68.3 -6.7 26 26 A K + 0 0 145 -2,-0.6 -1,-0.1 42,-0.1 3,-0.1 0.473 42.5 117.8 -85.9 -5.7 55.1 69.7 -7.9 27 27 A N S S- 0 0 58 330,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.241 74.5-107.3 -58.9 148.3 57.4 67.5 -5.7 28 28 A Q - 0 0 130 62,-0.0 2,-0.4 39,-0.0 62,-0.1 -0.613 36.2-137.3 -66.7 136.0 59.7 65.1 -7.4 29 29 A V + 0 0 17 60,-0.6 2,-0.3 -2,-0.2 5,-0.0 -0.855 32.8 159.0 -98.8 139.2 58.4 61.5 -6.9 30 30 A D + 0 0 33 -2,-0.4 61,-0.2 3,-0.1 331,-0.1 -0.942 27.1 50.8-145.1 164.6 60.7 58.7 -6.0 31 31 A G S S- 0 0 0 59,-0.4 61,-2.6 -2,-0.3 331,-0.2 0.073 75.2 -93.9 99.8 163.6 60.5 55.2 -4.5 32 32 A E S S+ 0 0 27 329,-1.0 15,-2.8 59,-0.2 2,-0.4 0.631 108.6 44.8 -83.2 -27.7 58.5 52.0 -4.9 33 33 A V E S-BC 46 361A 0 328,-1.5 328,-2.6 13,-0.2 2,-0.4 -0.998 71.8-150.8-129.1 125.9 55.9 52.9 -2.2 34 34 A Q E -BC 45 360A 0 11,-2.5 11,-2.6 -2,-0.4 2,-0.6 -0.855 13.5-136.9 -97.8 135.5 54.2 56.3 -1.8 35 35 A V E -BC 44 359A 13 324,-2.8 323,-2.8 -2,-0.4 324,-1.0 -0.856 32.9-164.7 -89.7 124.1 53.0 57.5 1.6 36 36 A L E -BC 43 357A 2 7,-2.9 7,-2.3 -2,-0.6 2,-0.3 -0.773 15.2-175.6-118.2 150.8 49.6 59.0 1.1 37 37 A S E +BC 42 356A 20 319,-2.5 319,-2.6 -2,-0.3 2,-0.2 -1.000 6.4 179.1-142.7 144.8 47.2 61.2 3.1 38 38 A T - 0 0 11 3,-3.3 317,-0.1 -2,-0.3 -21,-0.1 -0.702 54.7 -80.0-119.4-173.4 43.8 62.6 2.8 39 39 A A S S+ 0 0 105 -2,-0.2 3,-0.0 1,-0.2 -22,-0.0 0.872 127.9 18.0 -49.7 -49.5 41.8 64.8 5.2 40 40 A T S S+ 0 0 125 1,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.558 122.2 48.4-107.5 -14.8 40.8 61.9 7.5 41 41 A Q - 0 0 77 17,-0.1 -3,-3.3 96,-0.0 2,-0.4 -0.902 49.2-153.6-140.7 169.6 43.3 59.1 6.7 42 42 A S E +B 37 0A 53 -2,-0.3 95,-0.3 -5,-0.2 97,-0.3 -0.965 32.8 138.4-135.0 129.3 46.8 57.9 6.0 43 43 A F E -B 36 0A 2 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.3 -0.907 38.7-105.9-159.4-173.0 47.7 54.9 3.9 44 44 A L E -B 35 0A 0 95,-3.2 2,-0.4 -2,-0.3 11,-0.3 -0.942 11.9-149.0-128.5 159.7 50.2 53.7 1.3 45 45 A A E -B 34 0A 1 -11,-2.6 -11,-2.5 -2,-0.3 2,-0.5 -0.981 11.4-149.1-127.5 136.0 50.4 53.0 -2.5 46 46 A T E -BD 33 53A 0 7,-2.4 7,-2.6 -2,-0.4 2,-0.6 -0.897 14.8-134.8-101.7 126.6 52.6 50.4 -4.1 47 47 A C E + D 0 52A 0 -15,-2.8 47,-2.6 -2,-0.5 2,-0.4 -0.696 33.6 164.5 -82.2 115.9 53.9 51.0 -7.6 48 48 A V E > -eD 94 51A 2 3,-2.7 3,-2.6 -2,-0.6 47,-0.2 -1.000 67.5 -11.4-134.2 129.0 53.5 47.9 -9.9 49 49 A N T 3 S- 0 0 113 45,-1.7 -1,-0.1 -2,-0.4 38,-0.1 0.898 128.3 -53.2 45.9 53.0 53.8 48.1 -13.7 50 50 A G T 3 S+ 0 0 38 44,-0.2 37,-2.8 1,-0.2 2,-0.4 0.650 117.6 110.0 58.6 15.3 53.7 51.9 -13.8 51 51 A V E < -DF 48 86A 17 -3,-2.6 -3,-2.7 35,-0.3 2,-0.8 -0.962 63.7-138.7-117.8 137.8 50.5 52.0 -11.8 52 52 A C E -DF 47 85A 1 33,-3.5 33,-2.4 -2,-0.4 2,-0.4 -0.871 28.6-165.2 -87.4 110.4 50.2 53.2 -8.2 53 53 A W E +DF 46 84A 12 -7,-2.6 -7,-2.4 -2,-0.8 2,-0.2 -0.780 18.0 149.1-100.2 145.2 47.8 50.8 -6.3 54 54 A T E - F 0 83A 0 29,-2.3 29,-2.3 -2,-0.4 2,-0.3 -0.798 46.9 -68.0-154.1-175.5 46.1 51.3 -3.0 55 55 A V E >> - F 0 82A 0 -11,-0.3 4,-2.5 -2,-0.2 3,-0.7 -0.650 26.4-144.2 -84.5 139.6 43.0 50.4 -1.0 56 56 A Y H 3> S+ 0 0 71 25,-1.2 4,-2.9 -2,-0.3 26,-0.1 0.879 100.3 64.1 -67.1 -36.1 39.6 51.8 -2.0 57 57 A H H 34 S+ 0 0 43 24,-0.2 -1,-0.2 1,-0.2 25,-0.1 0.685 113.7 35.4 -65.4 -14.7 38.5 52.1 1.7 58 58 A G H <4 S+ 0 0 5 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.843 129.8 28.0 -96.6 -55.9 41.3 54.7 2.0 59 59 A A H >< S- 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -3,-0.2 0.599 80.9-175.7 -79.7 -17.4 41.3 56.5 -1.3 60 60 A G T 3< - 0 0 21 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.245 68.1 -37.3 46.2-127.6 37.7 56.1 -2.2 61 61 A S T 3 S+ 0 0 95 15,-0.0 12,-0.3 22,-0.0 -1,-0.2 0.369 100.6 136.0-107.7 16.4 37.1 57.6 -5.7 62 62 A K < - 0 0 77 -3,-1.8 292,-0.1 1,-0.1 2,-0.1 -0.014 53.6-117.6 -66.6 151.2 39.5 60.5 -5.3 63 63 A T - 0 0 40 290,-0.2 292,-2.9 9,-0.1 2,-0.5 -0.344 26.6-119.9 -72.4 162.6 42.1 61.8 -7.7 64 64 A L E -jI 355 71B 2 7,-2.0 7,-3.0 290,-0.2 2,-0.2 -0.953 27.7-114.9-106.1 125.9 45.8 61.8 -6.8 65 65 A A E + I 0 70B 1 290,-2.7 292,-0.3 -2,-0.5 -41,-0.2 -0.528 48.1 173.4 -60.0 128.4 47.6 65.2 -6.8 66 66 A G E > -hI 24 69B 2 -43,-1.4 3,-2.3 3,-0.8 -41,-1.9 -0.804 48.6 -92.2-136.1 172.8 50.1 65.2 -9.6 67 67 A P T 3 S+ 0 0 67 0, 0.0 -43,-0.1 0, 0.0 -41,-0.1 0.736 127.1 40.1 -64.5 -20.9 52.6 67.5 -11.4 68 68 A K T 3 S- 0 0 209 1,-0.5 -44,-0.1 -45,-0.1 -42,-0.1 0.024 128.9 -86.3-108.6 27.0 50.0 68.4 -14.0 69 69 A G E < S-I 66 0B 12 -3,-2.3 -3,-0.8 -44,-0.1 -1,-0.5 -0.561 85.4 -2.6 93.9-171.6 47.0 68.7 -11.5 70 70 A P E -I 65 0B 73 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.199 61.5-140.5 -66.2 138.7 44.8 65.8 -10.3 71 71 A I E -I 64 0B 33 -7,-3.0 -7,-2.0 -48,-0.1 2,-0.2 -0.870 14.8-137.1-102.6 121.3 45.2 62.3 -11.6 72 72 A T - 0 0 108 -2,-0.6 -9,-0.1 -9,-0.2 -10,-0.1 -0.501 30.8 -98.5 -71.4 142.2 42.0 60.3 -12.3 73 73 A Q - 0 0 23 -12,-0.3 12,-0.3 -2,-0.2 3,-0.1 -0.399 25.5-163.5 -61.3 137.0 41.9 56.7 -11.2 74 74 A M S S+ 0 0 99 10,-2.6 2,-0.4 1,-0.3 11,-0.2 0.590 80.8 30.4 -89.8 -22.3 42.7 54.2 -14.0 75 75 A Y E +G 84 0A 65 9,-1.7 9,-2.3 2,-0.0 2,-0.4 -0.980 61.2 172.3-145.7 127.6 41.2 51.3 -12.0 76 76 A T E +G 83 0A 74 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.945 4.8 166.2-139.3 114.0 38.5 51.3 -9.4 77 77 A N E >> -G 82 0A 50 5,-2.9 5,-2.2 -2,-0.4 4,-0.7 -0.831 10.5-175.8-133.7 96.0 37.1 48.0 -8.0 78 78 A V T >45S+ 0 0 78 -2,-0.4 3,-0.7 1,-0.2 -1,-0.1 0.869 83.1 53.0 -59.6 -38.8 35.0 48.5 -4.9 79 79 A D T 345S+ 0 0 156 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.889 113.6 41.0 -75.4 -35.1 34.5 44.8 -4.3 80 80 A Q T 345S- 0 0 35 2,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.485 108.6-126.3 -81.5 -0.5 38.2 43.9 -4.4 81 81 A D T <<5 + 0 0 11 -4,-0.7 -25,-1.2 -3,-0.7 2,-0.4 0.831 65.4 134.1 60.1 47.8 38.9 47.1 -2.4 82 82 A L E < +FG 55 77A 0 -5,-2.2 -5,-2.9 -27,-0.3 2,-0.3 -0.953 30.1 170.3-138.4 131.0 41.4 48.2 -5.0 83 83 A V E -FG 54 76A 0 -29,-2.3 -29,-2.3 -2,-0.4 2,-0.3 -0.943 10.1-166.3-131.1 156.4 42.2 51.4 -6.9 84 84 A G E -FG 53 75A 0 -9,-2.3 -10,-2.6 -2,-0.3 -9,-1.7 -0.992 5.1-165.3-142.2 133.7 45.1 52.4 -9.2 85 85 A W E -F 52 0A 0 -33,-2.4 -33,-3.5 -2,-0.3 -12,-0.1 -0.928 42.5 -95.7-108.4 144.9 46.4 55.7 -10.6 86 86 A P E -F 51 0A 63 0, 0.0 -35,-0.3 0, 0.0 -36,-0.1 -0.429 56.6-108.0 -45.0 124.1 48.9 56.0 -13.5 87 87 A A - 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