==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-DEC-10 3Q3Y . COMPND 2 MOLECULE: HEVB EV93 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS B; . AUTHOR L.COSTENARO,Z.KACZMARSKA,C.ARNAN,M.SOLA,B.COUTARD,H.NORDER,B . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 44.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 42 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 3 2 4 4 4 9 1 0 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 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 1 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 0 A K > 0 0 71 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -26.4 -15.2 1.3 -15.6 2 1 A G H > + 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 360.0 48.0 -57.8 -52.6 -11.7 0.1 -16.1 3 2 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 153,-0.3 0.839 108.4 56.9 -61.8 -32.1 -11.8 -1.5 -19.5 4 3 A A H > S+ 0 0 4 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.908 109.2 46.2 -60.9 -43.2 -13.6 1.5 -20.9 5 4 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.912 110.7 51.3 -66.3 -44.5 -10.7 3.7 -19.8 6 5 A E H X S+ 0 0 82 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.943 114.0 45.5 -57.1 -46.8 -8.1 1.3 -21.2 7 6 A F H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 112.5 51.6 -59.8 -45.7 -9.9 1.3 -24.5 8 7 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.891 108.2 49.4 -63.7 -42.1 -10.3 5.1 -24.4 9 8 A V H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.939 113.0 46.7 -66.8 -43.4 -6.6 5.9 -23.8 10 9 A A H X S+ 0 0 57 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.900 112.4 51.3 -63.7 -38.4 -5.5 3.6 -26.6 11 10 A M H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.917 110.9 46.6 -65.7 -44.7 -8.0 5.1 -29.0 12 11 A M H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.921 110.4 53.6 -66.6 -40.7 -7.1 8.7 -28.3 13 12 A K H < S+ 0 0 188 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.906 118.8 34.0 -60.0 -39.0 -3.4 7.9 -28.6 14 13 A R H < S+ 0 0 132 -4,-1.8 71,-0.4 -5,-0.2 -1,-0.2 0.815 133.8 19.4 -88.1 -31.8 -3.9 6.3 -32.1 15 14 A N H < S+ 0 0 3 -4,-2.6 15,-3.0 -5,-0.2 2,-0.2 0.525 99.4 86.6-122.6 -10.0 -6.7 8.4 -33.6 16 15 A A E < +A 29 0A 24 -4,-2.1 2,-0.3 -5,-0.4 13,-0.2 -0.661 40.3 171.1-101.2 157.6 -7.1 11.8 -31.9 17 16 A S E -A 28 0A 5 11,-1.9 11,-2.5 -2,-0.2 2,-0.5 -0.916 35.5-106.0-146.3 172.7 -5.5 15.2 -32.4 18 17 A T E -A 27 0A 24 -2,-0.3 33,-3.0 9,-0.2 2,-0.4 -0.915 39.4-170.7-108.0 127.5 -6.0 18.7 -31.1 19 18 A V E -AB 26 50A 0 7,-2.7 7,-3.1 -2,-0.5 2,-0.5 -0.952 14.3-163.1-125.2 137.6 -7.5 21.1 -33.7 20 19 A K E +AB 25 49A 91 29,-2.3 29,-2.6 -2,-0.4 2,-0.2 -0.984 12.6 171.9-114.7 132.4 -8.1 24.9 -33.8 21 20 A T E > -A 24 0A 16 3,-2.5 3,-1.4 -2,-0.5 27,-0.1 -0.686 55.2 -93.0-114.1-179.1 -10.5 26.5 -36.2 22 21 A E T 3 S+ 0 0 139 1,-0.2 21,-0.1 -2,-0.2 3,-0.1 0.711 127.2 57.1 -68.4 -14.9 -11.4 30.2 -36.2 23 22 A Y T 3 S- 0 0 155 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.425 119.8 -74.9 -97.8 -0.7 -14.4 29.1 -34.0 24 23 A G E < -A 21 0A 30 -3,-1.4 -3,-2.5 18,-0.2 2,-0.4 -0.902 54.6 -51.5 144.4-169.2 -12.3 27.5 -31.3 25 24 A E E +A 20 0A 47 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.925 53.5 172.2-113.7 133.6 -10.2 24.6 -30.0 26 25 A F E -A 19 0A 10 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.4 -0.910 38.5-114.6-137.7 155.3 -11.5 21.1 -30.3 27 26 A T E -A 18 0A 0 121,-1.7 2,-0.4 -2,-0.3 -9,-0.2 -0.794 38.5-159.5 -81.7 137.1 -10.6 17.4 -29.8 28 27 A M E -A 17 0A 0 -11,-2.5 -11,-1.9 -2,-0.4 2,-0.6 -0.982 7.0-154.0-127.4 127.6 -10.8 15.8 -33.3 29 28 A L E -AC 16 37A 1 8,-1.0 8,-1.9 -2,-0.4 2,-0.3 -0.849 11.4-142.9-100.7 121.9 -11.2 12.0 -34.0 30 29 A G E - C 0 36A 0 -15,-3.0 6,-0.3 -2,-0.6 3,-0.1 -0.699 16.9-174.8 -78.3 142.3 -9.8 10.6 -37.2 31 30 A I E - 0 0 0 4,-2.9 56,-2.7 1,-0.4 57,-0.4 0.851 52.4 -35.8-110.0 -54.7 -12.0 7.8 -38.6 32 31 A Y E > S- C 0 35A 23 3,-1.3 3,-2.7 54,-0.2 -1,-0.4 -0.958 105.4 -7.4-167.4 159.8 -10.4 6.2 -41.7 33 32 A D B 3 S-D 84 0B 55 51,-0.7 51,-2.9 -2,-0.3 44,-0.0 -0.210 128.7 -33.0 48.2-121.9 -8.2 7.2 -44.7 34 33 A R T 3 S+ 0 0 75 49,-0.2 44,-2.8 -4,-0.1 2,-0.5 0.149 110.3 115.7-112.0 18.1 -8.1 11.1 -44.4 35 34 A W E < +CD 32 77A 23 -3,-2.7 -4,-2.9 42,-0.2 -3,-1.3 -0.783 34.7 163.7 -93.8 130.0 -11.6 11.5 -43.0 36 35 A A E -CD 30 76A 0 40,-2.8 40,-2.3 -2,-0.5 2,-0.4 -0.750 26.5-124.3-131.6 179.3 -12.1 13.0 -39.5 37 36 A V E +CD 29 75A 1 -8,-1.9 -8,-1.0 -2,-0.2 38,-0.2 -0.986 23.2 171.4-136.0 139.2 -15.0 14.4 -37.5 38 37 A L E - D 0 74A 0 36,-2.5 36,-2.9 -2,-0.4 -10,-0.1 -0.932 45.6 -87.5-129.7 160.8 -15.6 17.7 -35.7 39 38 A P E > - D 0 73A 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.437 41.5-119.1 -59.4 146.8 -18.7 19.3 -34.1 40 39 A R G > S+ 0 0 64 32,-1.6 3,-2.1 1,-0.3 33,-0.1 0.876 111.9 65.6 -59.0 -34.4 -20.6 21.3 -36.7 41 40 A H G 3 S+ 0 0 57 1,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.626 82.5 76.3 -69.6 -7.2 -20.1 24.5 -34.6 42 41 A A G < S- 0 0 0 -3,-1.9 -19,-0.6 -20,-0.0 -1,-0.3 0.754 81.3-163.0 -69.0 -23.9 -16.3 24.2 -35.3 43 42 A K < - 0 0 108 -3,-2.1 -21,-0.2 -4,-0.3 -2,-0.1 0.858 10.3-149.9 43.9 54.5 -17.1 25.5 -38.8 44 43 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.280 10.2-155.8 -58.4 135.4 -13.8 24.4 -40.3 45 44 A G - 0 0 22 2,-0.6 12,-0.0 0, 0.0 -2,-0.0 0.009 47.7 -62.7 -89.8-159.8 -12.5 26.6 -43.2 46 45 A P S S+ 0 0 103 0, 0.0 11,-2.8 0, 0.0 2,-0.3 0.688 123.7 27.9 -68.2 -17.3 -10.2 25.8 -46.0 47 46 A T E - E 0 56A 50 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.978 67.1-169.9-138.1 153.1 -7.4 25.1 -43.5 48 47 A I E - E 0 55A 3 7,-2.4 7,-2.7 -2,-0.3 2,-0.6 -0.879 28.7-115.3-127.6 164.4 -7.2 24.0 -39.9 49 48 A L E -BE 20 54A 61 -29,-2.6 -29,-2.3 -2,-0.3 2,-0.5 -0.937 33.2-176.2 -99.2 119.9 -4.5 23.9 -37.3 50 49 A M E > S-BE 19 53A 10 3,-2.9 3,-1.5 -2,-0.6 -31,-0.2 -0.973 76.1 -16.8-119.8 116.3 -4.0 20.2 -36.4 51 50 A N T 3 S- 0 0 91 -33,-3.0 -1,-0.2 -2,-0.5 -32,-0.1 0.928 130.1 -54.1 45.9 50.8 -1.4 19.7 -33.6 52 51 A D T 3 S+ 0 0 141 -34,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.526 118.0 112.9 69.0 7.8 -0.3 23.3 -34.2 53 52 A Q E < S-E 50 0A 135 -3,-1.5 -3,-2.9 2,-0.0 2,-0.3 -0.931 72.1-116.9-112.8 134.6 0.3 22.6 -38.0 54 53 A E E -E 49 0A 143 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.526 37.1-178.9 -70.4 127.9 -1.7 24.1 -40.9 55 54 A V E -E 48 0A 14 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.1 -0.997 23.4-123.9-131.0 130.8 -3.5 21.4 -42.8 56 55 A G E -EF 47 79A 23 23,-0.5 23,-2.9 -2,-0.4 2,-0.6 -0.430 15.5-136.8 -73.7 151.2 -5.7 21.9 -45.8 57 56 A V E - F 0 78A 25 -11,-2.8 21,-0.2 21,-0.2 3,-0.1 -0.928 17.8-177.0-109.8 120.4 -9.3 20.8 -45.9 58 57 A L E S+ 0 0 105 19,-2.9 2,-0.3 -2,-0.6 20,-0.2 0.733 70.5 2.5 -88.7 -28.3 -10.3 19.1 -49.1 59 58 A D E - F 0 77A 75 18,-1.0 18,-2.3 2,-0.0 2,-0.3 -0.977 56.4-166.6-156.1 150.2 -14.0 18.5 -48.3 60 59 A A E - F 0 76A 46 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.977 5.4-168.1-143.4 129.5 -16.4 19.2 -45.4 61 60 A K E - F 0 75A 89 14,-2.7 14,-2.6 -2,-0.3 2,-0.8 -0.963 11.1-153.6-122.1 110.8 -19.9 17.7 -45.0 62 61 A E E - F 0 74A 96 -2,-0.5 12,-0.2 12,-0.2 2,-0.2 -0.776 31.1-130.4 -83.1 110.1 -22.3 19.1 -42.4 63 62 A L E + 0 0 19 10,-2.6 8,-1.8 -2,-0.8 10,-0.4 -0.415 34.6 166.9 -74.2 132.9 -24.4 16.1 -41.6 64 63 A V E - F 0 70A 66 6,-0.2 6,-0.2 -2,-0.2 69,-0.0 -0.923 33.1-111.6-131.5 160.1 -28.2 16.2 -41.7 65 64 A D > - 0 0 25 4,-2.0 3,-2.1 -2,-0.3 -1,-0.1 -0.121 51.1 -78.0 -81.1-174.8 -30.8 13.4 -41.6 66 65 A K T 3 S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.665 133.8 45.7 -61.1 -18.5 -33.1 12.5 -44.5 67 66 A D T 3 S- 0 0 136 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.149 123.4-100.5-111.7 17.2 -35.4 15.4 -43.7 68 67 A G < + 0 0 48 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.578 67.5 155.0 83.1 9.9 -32.6 18.0 -43.3 69 68 A T - 0 0 30 1,-0.1 -4,-2.0 2,-0.0 -1,-0.2 -0.555 49.4-103.9 -77.8 133.5 -32.5 18.0 -39.5 70 69 A N E -gF 133 64A 5 62,-0.8 64,-2.1 -2,-0.3 -6,-0.2 -0.206 30.5-177.0 -53.9 136.8 -29.2 19.0 -37.9 71 70 A L E - 0 0 2 -8,-1.8 -7,-0.1 2,-0.2 -1,-0.1 0.398 39.9-127.5-111.6 -5.9 -27.0 16.2 -36.5 72 71 A E E + 0 0 18 -9,-0.4 -32,-1.6 1,-0.2 2,-0.4 0.731 69.5 116.2 64.6 29.9 -24.3 18.7 -35.2 73 72 A L E -D 39 0A 0 -10,-0.4 -10,-2.6 -34,-0.3 2,-0.5 -0.978 45.7-164.8-126.7 141.0 -21.4 16.8 -37.0 74 73 A T E -DF 38 62A 2 -36,-2.9 -36,-2.5 -2,-0.4 2,-0.4 -0.988 9.8-154.1-121.7 123.3 -19.1 17.9 -39.7 75 74 A L E -DF 37 61A 3 -14,-2.6 -14,-2.7 -2,-0.5 2,-0.4 -0.800 16.6-168.9 -89.5 137.4 -17.0 15.4 -41.5 76 75 A L E -DF 36 60A 0 -40,-2.3 -40,-2.8 -2,-0.4 2,-0.5 -0.982 18.0-147.2-135.1 139.7 -13.8 16.7 -43.0 77 76 A K E -DF 35 59A 77 -18,-2.3 -19,-2.9 -2,-0.4 -18,-1.0 -0.919 25.2-145.5-102.1 123.6 -11.3 15.2 -45.5 78 77 A L E - F 0 57A 1 -44,-2.8 2,-1.5 -2,-0.5 -21,-0.2 -0.665 14.8-127.6 -99.7 147.9 -7.8 16.4 -44.8 79 78 A N E + F 0 56A 104 -23,-2.9 -23,-0.5 -2,-0.3 2,-0.3 -0.647 68.9 113.3 -89.4 80.2 -4.9 17.1 -47.2 80 79 A R - 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