==== 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 15-OCT-09 2WV9 . COMPND 2 MOLECULE: FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, FLAV . SOURCE 2 ORGANISM_SCIENTIFIC: MURRAY VALLEY ENCEPHALITIS VIRUS; . AUTHOR R.ASSENBERG,E.MASTRANGELO,T.S.WALTER,A.VERMA,M.MILANI,R.J.OW . 600 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 62 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 1 1 2 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 6 3 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 . 4 4 4 2 3 0 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 . 1 0 1 0 2 0 2 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 -53 A A 0 0 72 0, 0.0 31,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 178.5 48.4 25.8 -11.9 2 -52 A T + 0 0 137 2,-0.1 30,-0.5 29,-0.1 2,-0.1 0.895 360.0 59.9 -81.5 -47.4 48.4 22.1 -10.8 3 -51 A D S S- 0 0 30 1,-0.1 59,-0.1 28,-0.1 54,-0.0 -0.323 92.4 -94.8 -82.8 168.0 46.0 22.7 -8.0 4 -50 A M E -a 62 0A 19 57,-1.2 59,-2.7 53,-0.1 2,-0.3 -0.165 28.5-160.2 -88.7 169.1 42.4 24.0 -8.3 5 -49 A W E -aB 63 30A 39 25,-2.0 25,-2.4 57,-0.2 2,-0.3 -0.907 17.9-111.1-141.7 169.9 40.6 27.3 -8.0 6 -48 A L E - B 0 29A 27 57,-1.1 2,-0.4 -2,-0.3 23,-0.2 -0.825 19.0-175.6-113.4 143.9 37.0 28.7 -7.4 7 -47 A E E - B 0 28A 92 21,-1.6 21,-3.4 -2,-0.3 2,-0.2 -0.955 28.7-123.8-138.0 119.5 34.5 30.6 -9.6 8 -46 A R E + B 0 27A 96 -2,-0.4 19,-0.3 19,-0.3 3,-0.1 -0.367 33.1 167.5 -64.4 126.5 31.2 31.9 -8.2 9 -45 A A E - 0 0 31 17,-2.1 101,-0.3 1,-0.4 2,-0.3 0.804 58.9 -23.4-104.6 -47.9 28.1 30.7 -10.1 10 -44 A A E - B 0 26A 23 16,-0.8 16,-3.0 92,-0.1 -1,-0.4 -0.929 61.0 -97.3-156.5 175.2 25.1 31.6 -7.9 11 -43 A D - 0 0 98 -2,-0.3 2,-0.9 14,-0.2 14,-0.2 -0.367 42.4 -99.3 -92.3 176.6 23.9 32.4 -4.4 12 -42 A V S S+ 0 0 42 12,-0.2 2,-0.3 -2,-0.1 138,-0.1 -0.836 71.9 120.8-102.1 95.3 22.2 30.1 -1.9 13 -41 A S - 0 0 54 -2,-0.9 2,-0.4 136,-0.0 131,-0.1 -0.990 63.2-113.4-151.6 153.6 18.5 30.8 -2.2 14 -40 A W - 0 0 78 -2,-0.3 2,-0.4 132,-0.2 132,-0.1 -0.769 39.2-157.7 -84.2 136.2 15.1 29.2 -3.0 15 -39 A E - 0 0 90 -2,-0.4 2,-0.2 2,-0.1 5,-0.0 -0.947 16.9-110.5-125.5 141.8 13.7 30.6 -6.3 16 -38 A A S S+ 0 0 84 -2,-0.4 2,-0.2 3,-0.0 3,-0.1 -0.449 77.0 25.2 -72.0 134.6 10.2 30.7 -7.7 17 -37 A G S S- 0 0 53 -2,-0.2 3,-0.2 1,-0.1 -2,-0.1 -0.493 90.7 -77.5 110.5-178.4 9.3 28.4 -10.7 18 -36 A A S S+ 0 0 79 1,-0.3 96,-1.0 -2,-0.2 2,-0.3 0.864 111.6 8.8 -87.7 -44.3 10.6 25.2 -12.2 19 -35 A A B H 113 0B 75 94,-0.2 -1,-0.3 -3,-0.1 94,-0.1 -0.974 360.0 360.0-143.9 126.4 13.7 26.5 -14.0 20 -34 A I 0 0 117 92,-0.6 92,-1.0 -2,-0.3 -3,-0.0 -0.967 360.0 360.0-131.7 360.0 15.3 30.0 -13.7 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 18 A T 0 0 106 0, 0.0 26,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 71.7 35.1 34.1 1.5 23 19 A T - 0 0 90 1,-0.1 22,-0.2 25,-0.1 2,-0.2 -0.434 360.0-107.6 -65.0 130.7 31.7 35.5 0.2 24 20 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -12,-0.2 -0.415 72.5 72.2 -69.7 131.0 28.9 33.0 1.0 25 21 A G E S- C 0 45A 0 20,-0.9 20,-3.0 -2,-0.2 2,-0.4 -0.980 79.6 -40.0 160.3-166.5 27.5 31.2 -2.1 26 22 A V E -BC 10 44A 0 -16,-3.0 -17,-2.1 -2,-0.3 -16,-0.8 -0.728 49.5-170.4 -96.8 136.3 27.9 28.5 -4.7 27 23 A Y E -BC 8 43A 23 16,-3.1 16,-2.0 -2,-0.4 2,-0.3 -0.977 22.0-128.6-131.8 139.6 31.3 28.0 -6.5 28 24 A R E -BC 7 42A 41 -21,-3.4 -21,-1.6 -2,-0.4 2,-0.8 -0.652 22.2-138.4 -75.7 137.3 32.6 26.0 -9.5 29 25 A I E -BC 6 41A 0 12,-3.5 11,-3.1 -2,-0.3 12,-1.3 -0.882 27.5-168.4-101.3 104.8 35.6 23.9 -8.7 30 26 A M E -BC 5 39A 30 -25,-2.4 -25,-2.0 -2,-0.8 9,-0.2 -0.785 7.0-178.0-103.8 136.1 37.9 24.3 -11.7 31 27 A A E - C 0 38A 3 7,-2.3 7,-1.8 -2,-0.4 2,-0.4 -0.730 20.2-130.7-125.8 172.1 41.0 22.2 -12.4 32 28 A R E + C 0 37A 121 -30,-0.5 5,-0.2 -2,-0.2 2,-0.1 -0.981 27.4 165.7-130.4 120.9 43.8 22.0 -15.0 33 29 A G - 0 0 46 3,-1.8 4,-0.0 -2,-0.4 5,-0.0 -0.254 54.0 -92.6-106.7-160.7 44.9 18.8 -16.8 34 30 A I S S+ 0 0 174 1,-0.1 3,-0.1 -2,-0.1 -1,-0.0 0.799 125.8 52.8 -82.3 -33.6 47.1 18.2 -19.8 35 31 A L S S- 0 0 184 1,-0.3 2,-0.2 0, 0.0 -1,-0.1 0.452 121.6 -91.4 -83.7 -2.8 44.0 18.2 -22.1 36 32 A G - 0 0 34 2,-0.0 -3,-1.8 0, 0.0 -1,-0.3 -0.673 58.6 -28.2 128.8-178.2 42.8 21.6 -20.8 37 33 A R E +C 32 0A 147 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.471 60.5 161.0 -70.6 142.7 40.7 23.4 -18.2 38 34 A Y E -C 31 0A 121 -7,-1.8 -7,-2.3 -2,-0.2 2,-0.6 -0.934 42.8 -99.5-150.4 174.2 37.6 21.7 -16.8 39 35 A Q E -C 30 0A 17 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.918 27.0-176.0-102.3 118.5 35.1 21.7 -13.9 40 36 A A E - 0 0 17 -11,-3.1 2,-0.3 -2,-0.6 -10,-0.2 0.776 59.9 -50.2 -82.3 -29.9 36.0 19.1 -11.3 41 37 A G E -C 29 0A 0 -12,-1.3 -12,-3.5 97,-0.1 2,-0.3 -0.980 52.7 -91.0 177.5-174.2 32.9 19.8 -9.1 42 38 A V E +C 28 0A 0 97,-2.7 11,-0.4 -2,-0.3 2,-0.3 -0.895 34.2 175.3-124.9 154.6 30.6 22.2 -7.2 43 39 A G E -C 27 0A 0 -16,-2.0 -16,-3.1 -2,-0.3 2,-0.4 -0.982 21.0-131.2-155.1 165.2 30.7 23.5 -3.7 44 40 A V E -CD 26 51A 0 7,-2.0 7,-2.5 -2,-0.3 2,-0.6 -0.982 9.9-144.2-130.0 129.2 29.1 25.9 -1.2 45 41 A M E +CD 25 50A 3 -20,-3.0 -20,-0.9 -2,-0.4 2,-0.4 -0.811 29.9 166.8 -89.9 116.0 30.6 28.5 1.1 46 42 A H E > - D 0 49A 77 3,-3.0 3,-0.9 -2,-0.6 42,-0.1 -0.961 64.0 -12.8-139.7 120.8 28.6 28.7 4.4 47 43 A E T 3 S- 0 0 146 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.910 129.8 -49.0 54.7 49.3 29.7 30.5 7.6 48 44 A G T 3 S+ 0 0 38 -26,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.409 118.9 106.5 79.9 -0.8 33.3 30.8 6.4 49 45 A V E < -D 46 0A 2 -3,-0.9 -3,-3.0 -27,-0.0 2,-0.6 -0.940 60.8-144.2-118.4 129.5 33.6 27.2 5.4 50 46 A F E -DE 45 83A 2 33,-2.7 33,-2.6 -2,-0.4 2,-0.4 -0.818 22.2-162.6 -87.4 123.0 33.7 25.8 1.9 51 47 A H E +DE 44 82A 0 -7,-2.5 -7,-2.0 -2,-0.6 2,-0.3 -0.910 23.2 137.7-109.9 133.8 31.9 22.4 1.7 52 48 A T E - E 0 81A 0 29,-2.2 29,-2.0 -2,-0.4 2,-0.3 -0.925 50.5 -75.9-157.2-177.1 32.2 19.9 -1.1 53 49 A L >> - 0 0 0 -11,-0.4 3,-0.8 -2,-0.3 4,-0.8 -0.687 31.4-128.6 -93.1 142.2 32.5 16.1 -1.8 54 50 A W H 3> S+ 0 0 64 -2,-0.3 4,-2.4 21,-0.3 3,-0.4 0.848 107.7 60.9 -54.4 -39.9 35.8 14.2 -1.3 55 51 A H H 34 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.2 25,-0.1 0.876 95.4 64.3 -53.8 -42.1 35.6 12.8 -4.9 56 52 A T H <4 S+ 0 0 15 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 121.4 12.5 -50.9 -52.1 35.7 16.4 -6.3 57 53 A T H >< S- 0 0 7 -4,-0.8 3,-0.8 -3,-0.4 -1,-0.2 0.661 81.0-144.7-105.8 -22.2 39.2 17.4 -5.2 58 54 A R T 3< S- 0 0 213 -4,-2.4 -3,-0.1 1,-0.2 -4,-0.1 0.772 79.5 -49.4 54.1 29.9 40.7 14.0 -4.0 59 55 A G T 3 S+ 0 0 32 -5,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.682 101.2 145.1 86.0 21.2 42.5 16.0 -1.3 60 56 A A < - 0 0 31 -3,-0.8 2,-0.3 1,-0.1 -1,-0.2 -0.341 51.5-102.3 -80.9 167.9 44.0 18.8 -3.5 61 57 A A - 0 0 10 9,-0.1 -57,-1.2 -2,-0.1 2,-0.5 -0.660 27.5-145.5 -91.2 148.9 44.4 22.4 -2.4 62 58 A I E -aF 4 69A 4 7,-3.0 7,-1.9 -2,-0.3 2,-0.6 -0.958 1.7-149.3-120.7 117.4 42.0 25.2 -3.5 63 59 A M E -aF 5 68A 62 -59,-2.7 -57,-1.1 -2,-0.5 5,-0.2 -0.728 21.0-166.4 -77.7 119.8 43.2 28.7 -4.2 64 60 A S - 0 0 30 3,-1.9 3,-0.2 -2,-0.6 -1,-0.0 -0.221 48.4 -67.7 -89.9-170.2 40.3 31.1 -3.4 65 61 A G S S+ 0 0 75 1,-0.2 2,-0.4 -2,-0.1 3,-0.1 0.893 127.1 11.8 -45.2 -50.1 40.1 34.8 -4.4 66 62 A E S S+ 0 0 186 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 -0.992 122.3 1.3-134.3 124.9 43.0 35.6 -2.1 67 63 A G S S- 0 0 56 -2,-0.4 -3,-1.9 -3,-0.2 2,-0.3 0.277 78.3 -82.7 82.5 154.7 45.2 32.9 -0.4 68 64 A R E -F 63 0A 155 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.687 32.8-161.8-100.5 144.2 45.4 29.1 -0.6 69 65 A L E -F 62 0A 54 -7,-1.9 -7,-3.0 -2,-0.3 3,-0.0 -0.983 2.2-167.3-126.7 135.6 43.4 26.6 1.4 70 66 A T - 0 0 83 -2,-0.4 14,-0.5 -9,-0.2 -9,-0.1 -0.757 47.3 -66.5-111.4 163.1 44.0 22.9 2.1 71 67 A P E -G 83 0A 47 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.239 42.6-179.1 -52.8 127.4 41.6 20.2 3.5 72 68 A Y E S+ 0 0 162 10,-2.5 2,-0.3 1,-0.4 11,-0.2 0.816 71.7 1.3 -91.4 -43.6 40.7 20.9 7.1 73 69 A W E S+G 82 0A 89 9,-0.9 9,-2.6 12,-0.3 -1,-0.4 -0.972 72.4 157.3-143.7 154.5 38.4 17.9 7.5 74 70 A G E -G 81 0A 36 -2,-0.3 2,-0.3 7,-0.2 7,-0.3 -0.990 24.8-156.0-168.1 166.7 37.3 14.9 5.4 75 71 A N E >> -G 80 0A 58 5,-2.6 5,-2.1 -2,-0.3 4,-0.9 -0.856 4.7-163.8-155.5 121.0 36.0 11.4 5.0 76 72 A V T 45S+ 0 0 99 -2,-0.3 3,-0.5 2,-0.2 -21,-0.1 0.952 94.7 47.7 -68.5 -53.0 36.5 9.1 2.0 77 73 A K T 45S+ 0 0 201 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.820 119.2 42.0 -56.9 -34.8 33.7 6.6 2.9 78 74 A E T 45S- 0 0 83 2,-0.1 -1,-0.2 92,-0.0 -2,-0.2 0.620 104.3-134.1 -87.9 -16.4 31.3 9.5 3.5 79 75 A D T <5 + 0 0 18 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.877 59.2 131.9 62.3 43.0 32.6 11.4 0.4 80 76 A R E < + G 0 75A 19 -5,-2.1 -5,-2.6 -27,-0.3 2,-0.3 -0.925 27.2 166.8-127.0 150.5 32.9 14.7 2.3 81 77 A V E -EG 52 74A 0 -29,-2.0 -29,-2.2 -2,-0.3 2,-0.3 -0.969 14.3-154.5-160.3 145.2 35.5 17.4 2.7 82 78 A T E -EG 51 73A 0 -9,-2.6 -10,-2.5 -2,-0.3 -9,-0.9 -0.932 4.0-154.2-127.3 150.8 35.8 21.0 4.0 83 79 A Y E S+EG 50 71A 1 -33,-2.6 -33,-2.7 -2,-0.3 -14,-0.0 -0.972 79.6 11.6-126.6 115.7 38.0 24.0 3.4 84 80 A G S S- 0 0 38 -14,-0.5 -1,-0.1 -2,-0.5 -15,-0.0 0.743 127.1 -22.2 95.7 29.3 38.6 26.6 6.1 85 81 A G S S- 0 0 7 -3,-0.1 -12,-0.3 -35,-0.1 -13,-0.3 -0.793 93.2 -33.2 130.6-174.8 37.1 24.9 9.1 86 82 A P S S- 0 0 56 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.220 70.2 -77.8 -81.3 167.4 34.6 22.1 10.0 87 83 A W + 0 0 39 1,-0.1 -5,-0.1 -5,-0.1 -36,-0.0 -0.484 46.7 176.5 -65.6 122.0 31.4 20.8 8.4 88 84 A K + 0 0 93 -2,-0.3 2,-0.5 -42,-0.1 -1,-0.1 0.364 43.4 102.1-116.2 1.0 28.7 23.3 9.3 89 85 A L + 0 0 11 1,-0.1 83,-0.3 60,-0.0 62,-0.1 -0.793 29.1 148.2 -92.0 125.8 25.7 22.0 7.4 90 86 A D + 0 0 119 -2,-0.5 2,-0.3 60,-0.2 -1,-0.1 0.332 26.0 122.2-138.8 2.0 23.2 20.1 9.6 91 87 A Q - 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