==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-10 3OSY . COMPND 2 MOLECULE: 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR J.WANG,T.FAN,M.WANG,S.CUI . 935 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 385 41.2 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 . 15 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 30 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 113 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 5 15 10 10 15 5 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 5 0 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 -5 A P 0 0 54 0, 0.0 316,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.0 20.3 -4.6 11.2 2 -4 A R + 0 0 72 356,-0.0 360,-0.1 3,-0.0 362,-0.0 0.405 360.0 126.7 -92.5 2.8 20.6 -4.3 15.0 3 -3 A G S > S- 0 0 31 1,-0.1 3,-2.1 3,-0.1 4,-0.2 -0.067 75.7-100.9 -76.0 164.2 24.2 -3.1 14.6 4 -2 A S G > S+ 0 0 88 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.745 114.7 62.6 -51.8 -37.7 26.0 -0.1 15.8 5 -1 A H G 3 S+ 0 0 113 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.774 98.2 59.3 -61.9 -26.2 25.9 1.9 12.6 6 0 A M G <> S+ 0 0 2 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 0.493 80.3 104.1 -76.7 -4.5 22.1 1.9 12.9 7 1 A G H <> S+ 0 0 1 -3,-2.2 4,-2.2 -4,-0.2 -1,-0.2 0.910 80.3 35.5 -43.1 -73.5 22.6 3.7 16.2 8 2 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.798 117.4 52.7 -57.8 -38.0 21.6 7.3 15.4 9 3 A S H > S+ 0 0 5 -4,-0.3 4,-2.1 2,-0.2 152,-0.2 0.955 111.2 45.8 -65.1 -51.3 18.9 6.4 12.9 10 4 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.877 111.3 54.8 -58.4 -37.4 17.1 4.1 15.4 11 5 A D H X S+ 0 0 48 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.952 107.5 48.0 -62.1 -49.6 17.5 6.8 18.0 12 6 A F H X S+ 0 0 19 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.861 113.2 49.0 -59.7 -37.4 15.8 9.4 15.9 13 7 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.955 110.0 49.3 -69.3 -50.9 13.0 7.0 15.1 14 8 A L H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.896 114.9 47.5 -50.7 -43.3 12.5 5.9 18.8 15 9 A S H X S+ 0 0 14 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.958 111.1 48.3 -64.4 -53.0 12.4 9.6 19.6 16 10 A L H X>S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-1.2 0.858 109.3 55.5 -55.8 -41.2 10.0 10.6 16.8 17 11 A L H X5S+ 0 0 7 -4,-3.0 4,-1.1 3,-0.2 -1,-0.2 0.966 111.4 43.3 -52.4 -59.5 7.7 7.7 17.9 18 12 A R H <5S+ 0 0 111 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.940 124.5 30.8 -53.6 -56.7 7.5 9.0 21.4 19 13 A R H <5S+ 0 0 100 -4,-2.4 71,-0.5 -5,-0.1 -1,-0.2 0.696 136.8 11.5 -83.6 -19.8 7.0 12.7 20.8 20 14 A N H <5S+ 0 0 0 -4,-2.1 15,-2.2 -5,-0.3 2,-0.6 0.644 94.8 89.3-137.7 -23.9 5.1 12.6 17.4 21 15 A V E << -A 34 0A 2 -5,-1.2 2,-0.3 -4,-1.1 13,-0.2 -0.798 54.4-178.1 -95.8 120.8 3.8 9.3 16.2 22 16 A R E -A 33 0A 66 11,-2.5 11,-2.4 -2,-0.6 2,-0.2 -0.892 28.8-116.5-126.4 144.6 0.2 8.6 17.4 23 17 A Q E +A 32 0A 28 -2,-0.3 33,-1.4 9,-0.2 2,-0.3 -0.562 41.4 179.1 -77.3 140.3 -2.4 5.8 17.1 24 18 A V E -AB 31 55A 4 7,-1.6 7,-1.8 -2,-0.2 2,-0.3 -0.931 20.6-164.6-143.5 157.3 -5.6 6.8 15.3 25 19 A Q E +AB 30 54A 67 29,-1.6 29,-2.6 -2,-0.3 2,-0.3 -0.983 10.9 171.5-146.5 135.0 -8.9 5.5 14.1 26 20 A T E > -A 29 0A 8 3,-2.4 3,-1.9 -2,-0.3 27,-0.1 -0.775 57.5 -85.4-127.9 177.3 -11.5 6.9 11.6 27 21 A D T 3 S+ 0 0 140 1,-0.3 3,-0.1 21,-0.3 21,-0.1 0.755 129.9 58.9 -53.0 -22.0 -14.6 5.5 10.1 28 22 A Q T 3 S- 0 0 112 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.642 117.1 -97.8 -85.5 -19.2 -12.2 4.0 7.6 29 23 A G E < -A 26 0A 24 -3,-1.9 -3,-2.4 18,-0.2 2,-0.4 -0.938 60.7 -22.1 135.4-159.5 -10.1 2.0 10.1 30 24 A H E +A 25 0A 40 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.766 59.8 174.3 -97.3 134.0 -6.8 2.2 12.0 31 25 A F E -A 24 0A 9 -7,-1.8 -7,-1.6 -2,-0.4 2,-0.6 -0.926 34.2-117.1-137.8 159.1 -4.0 4.5 10.9 32 26 A T E -A 23 0A 1 121,-1.2 2,-0.4 -2,-0.3 -9,-0.2 -0.873 34.3-161.7 -95.5 116.4 -0.6 5.8 11.8 33 27 A M E -A 22 0A 2 -11,-2.4 -11,-2.5 -2,-0.6 2,-0.5 -0.791 7.4-155.6-102.6 141.0 -0.7 9.6 12.4 34 28 A L E -AC 21 42A 2 8,-1.8 8,-2.9 -2,-0.4 2,-0.4 -0.964 9.7-146.5-115.6 122.2 2.3 12.0 12.4 35 29 A G E - C 0 41A 0 -15,-2.2 6,-0.3 -2,-0.5 57,-0.1 -0.713 14.7-176.5 -85.9 136.7 2.1 15.3 14.2 36 30 A V E - 0 0 1 4,-3.3 56,-2.3 -2,-0.4 57,-0.6 0.867 56.5 -36.9-101.9 -49.8 4.1 18.0 12.5 37 31 A R E > S- C 0 40A 44 3,-0.9 3,-3.2 54,-0.2 -1,-0.3 -0.907 103.1 -15.6-174.3 147.8 3.9 21.1 14.7 38 32 A D B 3 S-G 89 0B 70 51,-1.3 51,-1.4 1,-0.3 44,-0.0 -0.279 132.0 -18.8 54.0-116.9 1.3 22.8 16.9 39 33 A R T 3 S+ 0 0 77 49,-0.2 44,-2.6 -2,-0.1 2,-0.4 0.196 110.0 116.9-106.9 14.4 -2.0 21.3 16.0 40 34 A L E < +CD 37 82A 17 -3,-3.2 -4,-3.3 42,-0.2 -3,-0.9 -0.695 31.8 160.1 -92.9 135.1 -0.9 19.9 12.6 41 35 A A E -CD 35 81A 0 40,-1.5 40,-2.7 -2,-0.4 2,-0.4 -0.974 27.3-134.9-144.7 154.9 -0.8 16.2 11.7 42 36 A V E +CD 34 80A 1 -8,-2.9 -8,-1.8 -2,-0.3 38,-0.2 -0.933 20.4 176.9-114.4 141.1 -0.7 14.2 8.5 43 37 A L E - D 0 79A 2 36,-2.4 36,-2.1 -2,-0.4 2,-0.2 -0.876 42.4 -91.7-126.2 162.9 -2.7 11.1 7.7 44 38 A P E > - D 0 78A 0 0, 0.0 3,-1.5 0, 0.0 34,-0.3 -0.565 39.8-122.5 -68.7 143.9 -2.9 9.0 4.5 45 39 A R G > S+ 0 0 80 32,-2.8 3,-2.6 1,-0.3 33,-0.1 0.879 106.8 66.9 -55.9 -40.5 -5.7 10.4 2.3 46 40 A H G 3 S+ 0 0 69 31,-0.3 -1,-0.3 1,-0.3 32,-0.1 0.290 84.7 74.0 -72.4 15.8 -7.6 7.1 2.2 47 41 A S G < S- 0 0 0 -3,-1.5 -19,-0.6 2,-0.0 -1,-0.3 0.537 84.0-158.8 -97.3 -12.9 -8.3 7.5 5.9 48 42 A Q < - 0 0 114 -3,-2.6 -21,-0.3 -4,-0.2 -20,-0.1 0.842 11.5-144.0 32.1 71.8 -10.8 10.2 5.1 49 43 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.363 13.8-155.1 -62.6 136.7 -10.9 11.8 8.5 50 44 A G - 0 0 32 2,-0.4 3,-0.1 -2,-0.1 -2,-0.0 0.242 45.9 -70.3 -87.1-146.2 -14.3 13.2 9.6 51 45 A K S S+ 0 0 157 1,-0.3 11,-3.7 10,-0.1 2,-0.4 0.660 124.7 33.7 -83.2 -18.1 -15.1 15.9 12.0 52 46 A T E + E 0 61A 47 9,-0.3 -2,-0.4 11,-0.0 2,-0.3 -0.983 66.8 177.4-142.3 126.4 -13.9 13.7 14.8 53 47 A I E - E 0 60A 2 7,-1.5 7,-2.3 -2,-0.4 2,-0.4 -0.893 33.1-109.5-122.6 158.5 -11.1 11.0 14.8 54 48 A W E -BE 25 59A 113 -29,-2.6 -29,-1.6 -2,-0.3 2,-0.5 -0.749 28.1-171.9 -87.1 128.5 -9.9 8.8 17.7 55 49 A I E > S-BE 24 58A 20 3,-2.6 3,-1.6 -2,-0.4 -31,-0.2 -0.883 75.2 -32.7-125.1 99.1 -6.4 9.6 19.0 56 50 A E T 3 S- 0 0 87 -33,-1.4 -32,-0.1 -2,-0.5 3,-0.1 0.856 120.6 -55.6 61.0 33.9 -5.1 7.0 21.4 57 51 A H T 3 S+ 0 0 125 1,-0.3 2,-0.5 -34,-0.1 -1,-0.3 0.187 116.8 111.7 85.1 -17.9 -8.7 6.5 22.6 58 52 A K E < S-E 55 0A 152 -3,-1.6 -3,-2.6 1,-0.0 2,-0.4 -0.801 70.2-130.2 -82.8 124.9 -9.3 10.2 23.4 59 53 A L E -E 54 0A 78 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.654 29.5-169.3 -80.2 132.2 -11.8 11.5 20.9 60 54 A V E -E 53 0A 10 -7,-2.3 -7,-1.5 -2,-0.4 2,-0.3 -0.919 20.5-121.3-127.7 145.4 -10.7 14.7 19.2 61 55 A N E -E 52 0A 78 23,-0.4 23,-1.8 -2,-0.3 2,-0.7 -0.651 18.9-142.1 -82.2 139.1 -12.4 17.4 17.0 62 56 A V E -F 83 0A 19 -11,-3.7 21,-0.2 -2,-0.3 3,-0.1 -0.901 18.1-179.4-102.3 113.1 -10.9 18.1 13.5 63 57 A L E + 0 0 101 19,-2.5 2,-0.3 -2,-0.7 20,-0.1 0.744 68.4 18.6 -85.3 -25.5 -11.1 21.8 12.8 64 58 A D E -F 82 0A 87 18,-0.9 18,-1.6 -13,-0.0 2,-0.4 -0.966 57.6-173.6-151.9 131.0 -9.6 21.7 9.3 65 59 A A E +F 81 0A 55 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.988 11.3 169.6-124.7 135.9 -8.9 19.1 6.7 66 60 A V E -F 80 0A 67 14,-1.0 14,-2.2 -2,-0.4 -2,-0.0 -0.868 26.1-140.9-150.2 108.8 -6.9 19.7 3.5 67 61 A E E -F 79 0A 92 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.359 33.0-123.9 -64.0 152.7 -5.7 17.2 1.0 68 62 A L E - 0 0 24 10,-2.0 8,-2.3 -2,-0.0 9,-0.6 -0.769 24.7-172.2-109.4 149.0 -2.2 18.1 -0.3 69 63 A V E -F 75 0A 77 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.996 24.0-119.9-135.8 140.6 -0.8 18.7 -3.8 70 64 A D > - 0 0 20 4,-1.2 3,-2.7 -2,-0.4 6,-0.0 -0.121 47.8 -85.7 -68.9 175.8 2.8 19.2 -5.0 71 65 A E T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.675 130.6 58.4 -59.7 -16.8 3.8 22.4 -6.8 72 66 A Q T 3 S- 0 0 96 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.399 118.4-110.2 -94.3 0.3 2.6 20.8 -10.0 73 67 A G < + 0 0 52 -3,-2.7 -2,-0.1 1,-0.3 3,-0.0 0.419 69.2 145.2 87.5 -1.8 -0.9 20.3 -8.7 74 68 A V - 0 0 41 1,-0.1 -4,-1.2 -5,-0.0 2,-0.6 -0.300 57.8-105.6 -64.4 152.2 -0.6 16.5 -8.5 75 69 A N E - F 0 69A 65 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.734 26.4-166.3 -85.8 118.4 -2.4 14.8 -5.6 76 70 A L E - 0 0 15 -8,-2.3 -7,-0.1 -2,-0.6 -1,-0.1 0.610 33.7-126.0 -80.2 -13.0 0.1 13.6 -3.0 77 71 A E E S+ 0 0 28 -9,-0.6 -32,-2.8 1,-0.2 2,-0.4 0.732 70.5 120.7 72.4 25.3 -2.4 11.4 -1.2 78 72 A L E -D 44 0A 0 -10,-0.4 -10,-2.0 -34,-0.3 2,-0.5 -0.976 51.1-152.1-120.1 129.8 -1.8 13.0 2.2 79 73 A T E -DF 43 67A 7 -36,-2.1 -36,-2.4 -2,-0.4 2,-0.6 -0.863 10.9-149.3 -97.4 132.4 -4.5 14.7 4.2 80 74 A L E -DF 42 66A 16 -14,-2.2 -14,-1.0 -2,-0.5 -38,-0.2 -0.901 19.2-164.0-108.8 116.5 -3.3 17.5 6.5 81 75 A I E -DF 41 65A 2 -40,-2.7 -40,-1.5 -2,-0.6 2,-0.4 -0.563 18.2-148.4-105.2 156.2 -5.4 17.9 9.6 82 76 A T E -DF 40 64A 33 -18,-1.6 -19,-2.5 -2,-0.2 -18,-0.9 -0.968 25.1-149.4-124.9 116.7 -5.8 20.6 12.3 83 77 A L E - F 0 62A 3 -44,-2.6 2,-0.8 -2,-0.4 -21,-0.2 -0.472 13.4-132.4 -94.6 154.9 -6.6 19.2 15.8 84 78 A D + 0 0 72 -23,-1.8 -23,-0.4 -2,-0.2 2,-0.3 -0.644 64.5 103.8-106.0 74.0 -8.6 20.6 18.6 85 79 A T S S- 0 0 36 -2,-0.8 -2,-0.1 2,-0.2 -25,-0.0 -0.972 70.0-127.2-141.7 160.6 -6.4 20.2 21.7 86 80 A N S S+ 0 0 145 -2,-0.3 -1,-0.1 2,-0.1 -48,-0.0 0.901 82.0 100.2 -70.0 -41.5 -4.3 22.4 23.9 87 81 A E - 0 0 136 1,-0.1 2,-0.3 -3,-0.1 -2,-0.2 -0.073 63.4-150.0 -45.9 138.5 -1.3 20.0 23.4 88 82 A K - 0 0 117 -49,-0.1 2,-0.4 -53,-0.0 -49,-0.2 -0.865 10.7-126.6-110.4 149.1 1.2 21.1 20.9 89 83 A F B -G 38 0B 30 -51,-1.4 -51,-1.3 -2,-0.3 -49,-0.1 -0.790 32.6-103.2 -90.5 136.8 3.4 18.7 18.8 90 84 A R - 0 0 63 -71,-0.5 2,-0.6 -2,-0.4 -1,-0.1 -0.385 45.4-112.5 -47.4 127.0 7.1 19.1 18.8 91 85 A D + 0 0 60 1,-0.2 -54,-0.2 -54,-0.1 3,-0.2 -0.596 43.4 171.6 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