==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUN-11 3SJO . COMPND 2 MOLECULE: 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR G.LU,J.QI,Z.CHEN,X.XU,F.GAO,D.LIN,W.QIAN,H.LIU,H.JIANG,J.YAN . 1432 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1079 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 621 43.4 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 . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 56 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 . 208 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 1 2 5 0 0 0 0 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 . 10 8 18 24 16 19 11 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 6 2 0 0 0 0 0 4 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 4 A L > 0 0 129 0, 0.0 4,-1.1 0, 0.0 150,-0.0 0.000 360.0 360.0 360.0 8.0 7.8 -36.2 0.0 2 5 A D H > + 0 0 131 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.580 360.0 57.5 -85.0 -13.5 4.5 -37.6 -1.3 3 6 A F H > S+ 0 0 40 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.913 106.7 46.5 -74.9 -49.0 2.9 -35.8 1.6 4 7 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.861 114.0 50.4 -55.4 -37.2 4.3 -32.5 0.2 5 8 A L H X S+ 0 0 70 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.904 108.5 49.9 -70.9 -42.2 3.1 -33.7 -3.2 6 9 A S H X S+ 0 0 35 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.913 112.1 49.4 -59.5 -43.1 -0.4 -34.4 -1.9 7 10 A L H X>S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-1.0 0.926 110.9 50.2 -62.1 -46.0 -0.4 -30.9 -0.3 8 11 A L H X5S+ 0 0 15 -4,-2.3 4,-0.7 3,-0.2 -2,-0.2 0.934 114.8 42.5 -58.4 -47.9 0.7 -29.4 -3.6 9 12 A R H <5S+ 0 0 178 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 128.6 25.1 -65.9 -42.3 -2.0 -31.2 -5.6 10 13 A R H <5S+ 0 0 126 -4,-2.5 71,-0.5 -5,-0.2 -2,-0.2 0.684 133.3 19.2-101.9 -20.7 -4.9 -30.7 -3.3 11 14 A N H <5S+ 0 0 0 -4,-2.4 15,-3.5 -5,-0.3 2,-0.6 0.531 97.2 79.7-134.3 -10.8 -4.2 -27.7 -1.2 12 15 A I E << -A 25 0A 0 -5,-1.0 2,-0.3 -4,-0.7 13,-0.2 -0.924 55.2-178.2-118.4 119.2 -1.6 -25.3 -2.5 13 16 A R E -A 24 0A 43 11,-2.3 11,-2.4 -2,-0.6 2,-0.5 -0.836 30.5-118.4-122.7 146.3 -2.6 -22.9 -5.3 14 17 A Q E +A 23 0A 45 -2,-0.3 33,-2.3 9,-0.2 2,-0.3 -0.695 46.3 169.8 -78.7 126.3 -1.0 -20.2 -7.4 15 18 A V E -AB 22 46A 2 7,-2.4 7,-2.0 -2,-0.5 2,-0.3 -0.863 23.7-155.0-134.3 167.5 -2.7 -16.8 -6.7 16 19 A Q E +AB 21 45A 46 29,-1.8 29,-2.3 -2,-0.3 2,-0.2 -0.993 11.0 174.4-139.6 146.8 -2.4 -13.1 -7.4 17 20 A T E > -A 20 0A 7 3,-2.2 3,-1.5 -2,-0.3 22,-0.1 -0.671 58.1 -81.0-127.5-172.4 -3.6 -10.0 -5.6 18 21 A D T 3 S+ 0 0 83 21,-0.4 21,-0.1 1,-0.2 3,-0.1 0.716 130.9 59.5 -62.8 -17.8 -2.9 -6.3 -6.3 19 22 A Q T 3 S- 0 0 91 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.472 115.8-109.5 -93.1 -2.0 0.4 -6.9 -4.4 20 23 A G E < -A 17 0A 26 -3,-1.5 -3,-2.2 18,-0.1 2,-0.4 -0.845 61.3 -4.6 118.5-149.9 1.6 -9.6 -6.9 21 24 A H E +A 16 0A 41 -2,-0.3 2,-0.3 -5,-0.2 123,-0.2 -0.701 59.8 162.9 -93.7 137.9 2.1 -13.3 -6.9 22 25 A F E -A 15 0A 10 -7,-2.0 -7,-2.4 -2,-0.4 2,-0.4 -0.929 37.6-117.2-143.1 162.5 1.7 -15.5 -3.8 23 26 A T E -A 14 0A 0 121,-1.6 2,-0.4 -2,-0.3 -9,-0.2 -0.888 32.1-156.3 -98.0 136.9 1.2 -19.1 -2.8 24 27 A M E -A 13 0A 0 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.6 -0.955 6.3-147.8-117.2 134.3 -2.1 -19.8 -1.1 25 28 A L E -AC 12 33A 0 8,-1.8 8,-2.4 -2,-0.4 2,-0.4 -0.891 8.2-152.8 -99.3 116.4 -2.8 -22.7 1.3 26 29 A G E + C 0 32A 0 -15,-3.5 6,-0.3 -2,-0.6 3,-0.1 -0.759 16.1 178.8 -81.7 132.8 -6.4 -24.1 1.3 27 30 A V E - 0 0 0 4,-2.5 56,-2.6 -2,-0.4 57,-0.3 0.844 53.6 -28.0-107.0 -45.9 -7.2 -25.6 4.7 28 31 A R E > S- C 0 31A 40 3,-1.4 3,-3.3 54,-0.2 -1,-0.4 -0.944 102.8 -19.9-168.8 150.9 -10.7 -26.8 4.7 29 32 A D B 3 S-N 80 0B 61 51,-1.1 51,-2.7 -2,-0.3 48,-0.0 -0.167 127.2 -25.0 49.0-124.0 -14.1 -26.2 3.0 30 33 A R T 3 S+ 0 0 101 49,-0.2 44,-2.8 -3,-0.1 2,-0.5 0.149 111.4 113.6-105.5 16.4 -13.9 -22.6 1.6 31 34 A L E < +CD 28 73A 17 -3,-3.3 -4,-2.5 42,-0.2 -3,-1.4 -0.791 36.5 164.0-100.2 127.4 -11.3 -21.5 4.1 32 35 A A E -CD 26 72A 0 40,-2.6 40,-2.9 -2,-0.5 2,-0.4 -0.882 24.7-134.5-134.8 166.5 -7.7 -20.5 3.0 33 36 A V E +CD 25 71A 1 -8,-2.4 -8,-1.8 -2,-0.3 38,-0.2 -0.975 21.0 171.8-129.6 141.5 -4.8 -18.7 4.4 34 37 A L E - D 0 70A 0 36,-2.1 36,-3.1 -2,-0.4 2,-0.2 -0.917 44.2 -87.3-135.1 159.8 -2.4 -16.0 2.9 35 38 A P E > - D 0 69A 2 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.565 41.7-124.0 -67.7 140.2 0.4 -13.7 4.2 36 39 A R G > S+ 0 0 33 32,-1.2 3,-2.2 1,-0.3 33,-0.1 0.860 106.6 64.1 -54.7 -43.0 -1.2 -10.5 5.5 37 40 A H G 3 S+ 0 0 91 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.723 84.0 75.5 -57.2 -23.2 0.8 -8.3 3.3 38 41 A S G < S- 0 0 0 -3,-1.8 -19,-0.6 -20,-0.0 -1,-0.3 0.732 82.8-161.2 -64.1 -20.0 -0.8 -9.8 0.2 39 42 A Q < + 0 0 91 -3,-2.2 -21,-0.4 -4,-0.3 -20,-0.1 0.877 15.9 177.7 42.2 66.6 -3.9 -7.7 1.1 40 43 A P > + 0 0 2 0, 0.0 3,-1.1 0, 0.0 2,-0.2 0.877 10.3 173.0 -69.6 -36.3 -6.5 -9.7 -1.0 41 44 A G T 3 - 0 0 33 1,-0.2 14,-0.1 -24,-0.0 -2,-0.0 -0.469 63.3 -13.0 64.8-130.3 -9.4 -7.6 0.1 42 45 A K T 3 S+ 0 0 98 -2,-0.2 11,-2.2 10,-0.1 2,-0.3 0.503 128.7 21.8 -89.3 -9.4 -12.7 -8.4 -1.8 43 46 A T E < - E 0 52A 2 -3,-1.1 2,-0.3 9,-0.3 9,-0.2 -0.951 57.4-170.0-146.4 168.6 -11.4 -10.6 -4.6 44 47 A I E - E 0 51A 0 7,-1.8 7,-2.8 -2,-0.3 2,-0.7 -0.975 24.8-122.4-156.5 150.7 -8.4 -12.7 -5.6 45 48 A W E -BE 16 50A 18 -29,-2.3 -29,-1.8 -2,-0.3 2,-0.7 -0.894 23.9-169.9 -97.9 118.3 -7.1 -14.5 -8.7 46 49 A I E > S-BE 15 49A 28 3,-2.6 3,-1.9 -2,-0.7 -31,-0.2 -0.918 79.9 -23.7-108.2 108.5 -6.7 -18.2 -8.3 47 50 A E T 3 S- 0 0 89 -33,-2.3 -1,-0.2 -2,-0.7 -32,-0.1 0.934 129.7 -50.4 52.9 47.7 -4.8 -19.7 -11.2 48 51 A H T 3 S+ 0 0 102 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.237 112.0 124.6 75.6 -8.9 -6.1 -16.7 -13.2 49 52 A K E < -E 46 0A 57 -3,-1.9 -3,-2.6 1,-0.0 2,-0.6 -0.691 61.9-130.6 -84.2 125.1 -9.7 -17.1 -12.2 50 53 A L E +E 45 0A 2 -2,-0.5 848,-3.2 -5,-0.2 2,-0.4 -0.641 34.9 179.3 -77.5 117.7 -11.3 -14.1 -10.5 51 54 A V E -E 44 0A 12 -7,-2.8 -7,-1.8 -2,-0.6 2,-0.2 -0.929 27.6-116.1-124.6 139.6 -13.0 -15.2 -7.3 52 55 A N E -E 43 0A 34 846,-0.4 23,-2.3 23,-0.4 2,-0.6 -0.507 17.9-144.0 -72.6 140.6 -14.9 -13.3 -4.6 53 56 A V E -F 74 0A 13 -11,-2.2 21,-0.2 21,-0.2 3,-0.1 -0.933 11.7-169.4-101.3 115.2 -13.5 -13.2 -1.1 54 57 A L E S+ 0 0 89 19,-2.8 2,-0.3 -2,-0.6 20,-0.2 0.817 70.7 0.2 -78.2 -29.8 -16.4 -13.3 1.3 55 58 A D E -F 73 0A 89 18,-0.9 18,-2.3 -14,-0.1 2,-0.4 -0.969 56.9-163.5-157.9 140.7 -14.4 -12.4 4.4 56 59 A A E -F 72 0A 41 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.975 10.6-170.8-129.6 117.8 -10.8 -11.6 5.1 57 60 A V E -F 71 0A 68 14,-2.5 14,-2.8 -2,-0.4 2,-0.7 -0.938 12.3-151.3-112.6 116.4 -9.7 -11.8 8.7 58 61 A E E -F 70 0A 105 -2,-0.6 12,-0.2 12,-0.2 2,-0.1 -0.773 26.6-130.0 -86.2 114.8 -6.2 -10.5 9.6 59 62 A L E + 0 0 22 10,-2.5 8,-1.8 -2,-0.7 9,-0.4 -0.393 31.2 172.4 -73.5 136.8 -5.1 -12.4 12.6 60 63 A V E -F 66 0A 82 6,-0.2 6,-0.2 7,-0.1 2,-0.1 -0.916 28.1-117.2-130.1 161.8 -3.7 -10.8 15.8 61 64 A D > - 0 0 13 4,-1.7 3,-2.4 -2,-0.3 6,-0.1 -0.226 48.2 -78.5 -86.9-173.7 -2.8 -12.3 19.1 62 65 A E T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.853 133.2 53.4 -51.6 -36.9 -4.3 -11.5 22.5 63 66 A Q T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 0.443 118.9-110.2 -82.7 -0.3 -2.3 -8.3 22.6 64 67 A G < + 0 0 49 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.672 67.8 150.1 80.5 18.0 -3.5 -7.2 19.3 65 68 A V - 0 0 30 1,-0.1 -4,-1.7 2,-0.0 -1,-0.3 -0.670 53.6 -95.9 -89.5 138.6 -0.2 -7.7 17.6 66 69 A N E -gF 129 60A 17 62,-0.6 64,-2.7 -2,-0.3 -6,-0.2 -0.155 30.8-177.1 -48.3 132.5 0.2 -8.7 14.0 67 70 A L E - 0 0 3 -8,-1.8 -1,-0.1 2,-0.2 -7,-0.1 0.436 39.5-128.5-107.3 -7.2 0.5 -12.4 13.2 68 71 A E E + 0 0 3 -9,-0.4 -32,-1.2 1,-0.2 2,-0.4 0.779 69.0 117.0 66.1 30.6 1.0 -11.7 9.4 69 72 A L E -D 35 0A 1 -10,-0.4 -10,-2.5 -34,-0.3 2,-0.5 -0.990 46.4-162.1-126.5 138.7 -1.7 -14.1 8.4 70 73 A T E -DF 34 58A 1 -36,-3.1 -36,-2.1 -2,-0.4 2,-0.5 -0.986 8.7-151.4-119.2 123.1 -5.0 -13.5 6.7 71 74 A L E -DF 33 57A 22 -14,-2.8 -14,-2.5 -2,-0.5 2,-0.4 -0.811 18.8-167.4 -86.6 123.0 -7.8 -16.0 6.7 72 75 A I E -DF 32 56A 0 -40,-2.9 -40,-2.6 -2,-0.5 2,-0.5 -0.910 15.7-151.1-117.0 144.4 -10.0 -15.8 3.7 73 76 A T E -DF 31 55A 40 -18,-2.3 -19,-2.8 -2,-0.4 -18,-0.9 -0.969 24.0-142.3-112.3 124.3 -13.3 -17.4 3.0 74 77 A L E - F 0 53A 3 -44,-2.8 2,-1.4 -2,-0.5 -21,-0.2 -0.619 11.7-130.5 -95.5 145.6 -13.9 -18.0 -0.7 75 78 A D + 0 0 55 -23,-2.3 -23,-0.4 -2,-0.3 2,-0.3 -0.709 68.2 109.8 -90.4 84.1 -17.1 -17.7 -2.7 76 79 A T S S- 0 0 33 -2,-1.4 -2,-0.0 2,-0.1 823,-0.0 -0.975 71.0-132.9-152.4 161.8 -17.0 -21.1 -4.4 77 80 A N S S+ 0 0 56 -2,-0.3 2,-0.3 1121,-0.1 -1,-0.1 0.494 81.5 100.6 -93.5 -5.7 -18.6 -24.5 -4.5 78 81 A E - 0 0 71 -48,-0.0 2,-0.4 1120,-0.0 -2,-0.1 -0.621 60.0-156.5 -81.7 132.9 -15.2 -26.1 -4.3 79 82 A K - 0 0 149 -2,-0.3 2,-0.2 -49,-0.1 -49,-0.2 -0.933 14.3-128.0-109.9 134.6 -14.1 -27.5 -1.0 80 83 A F B -N 29 0B 16 -51,-2.7 -51,-1.1 -2,-0.4 -69,-0.1 -0.564 36.5 -97.8 -73.7 142.7 -10.4 -28.0 -0.1 81 84 A R - 0 0 63 -71,-0.5 2,-0.7 -2,-0.2 -1,-0.1 -0.418 50.7-105.5 -54.1 131.0 -9.5 -31.4 1.3 82 85 A D + 0 0 85 1,-0.1 3,-0.3 -2,-0.1 -54,-0.2 -0.520 46.3 170.2 -73.2 109.6 -9.4 -30.9 5.1 83 86 A I > + 0 0 0 -56,-2.6 3,-1.6 -2,-0.7 4,-0.4 0.170 40.4 114.4-105.4 21.2 -5.8 -30.7 6.3 84 87 A T G > + 0 0 32 -57,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.840 69.3 63.9 -62.9 -30.4 -6.5 -29.6 9.8 85 88 A K G 3 S+ 0 0 151 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.731 100.2 53.9 -65.5 -19.3 -5.2 -32.9 11.2 86 89 A F G < S+ 0 0 42 -3,-1.6 68,-2.4 67,-0.1 -1,-0.3 0.489 89.9 88.1 -93.5 -5.7 -1.7 -32.0 9.8 87 90 A I S < S- 0 0 0 -3,-1.4 68,-0.1 -4,-0.4 86,-0.1 -0.834 82.8-124.7 -92.7 123.8 -1.6 -28.6 11.5 88 91 A P - 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