==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-11 3ZZ3 . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS; . AUTHOR J.TAN,K.ANAND,J.R.MESTERS,R.HILGENFELD . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 72.7 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 . 156 43.1 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 . 3 0.8 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 . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.0 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 . 2 2 4 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M > 0 0 126 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.8 -3.2 13.2 4.4 2 1 A G H > + 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.883 360.0 45.4 -61.0 -49.3 -1.0 14.5 1.6 3 2 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 153,-0.2 0.887 112.7 52.3 -63.6 -34.8 1.6 16.0 4.0 4 3 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 110.3 48.9 -67.8 -41.4 1.6 12.8 6.1 5 4 A F H X S+ 0 0 100 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 111.4 48.6 -59.7 -43.9 2.2 10.7 2.9 6 5 A E H X S+ 0 0 147 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.935 113.9 46.6 -65.4 -38.4 5.1 12.9 1.8 7 6 A F H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 113.4 49.4 -63.2 -52.3 6.6 12.7 5.3 8 7 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.897 108.8 51.7 -57.7 -46.8 6.1 8.9 5.4 9 8 A V H X S+ 0 0 48 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.959 113.3 45.4 -56.7 -50.4 7.7 8.3 1.9 10 9 A A H X S+ 0 0 62 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.891 114.0 47.7 -55.7 -47.7 10.8 10.2 2.9 11 10 A M H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.903 111.7 50.1 -66.1 -42.7 11.1 8.6 6.3 12 11 A M H X S+ 0 0 4 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.857 109.1 52.1 -62.8 -36.8 10.7 5.1 4.9 13 12 A K H < S+ 0 0 187 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.876 119.5 35.5 -67.7 -33.5 13.3 5.7 2.2 14 13 A R H < S+ 0 0 161 -4,-1.6 71,-0.4 -5,-0.2 -2,-0.2 0.825 133.4 17.9 -87.4 -36.8 15.8 6.9 4.8 15 14 A N H < S+ 0 0 4 -4,-2.5 15,-3.2 -5,-0.2 2,-0.3 0.536 101.1 85.7-123.8 -10.5 15.1 4.7 7.9 16 15 A S E < +A 29 0A 16 -4,-1.4 2,-0.3 -5,-0.4 13,-0.2 -0.682 41.4 171.6 -98.8 156.2 13.1 1.6 6.9 17 16 A S E -A 28 0A 2 11,-2.1 11,-2.9 -2,-0.3 2,-0.5 -0.943 35.9-106.6-146.9 168.4 14.1 -1.8 5.6 18 17 A T E -A 27 0A 25 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.858 38.1-164.5 -98.8 130.1 12.5 -5.2 5.0 19 18 A V E -AB 26 50A 0 7,-3.4 7,-3.0 -2,-0.5 2,-0.5 -0.942 10.9-161.7-119.6 138.6 13.5 -7.8 7.5 20 19 A K E +AB 25 49A 118 29,-2.4 29,-2.2 -2,-0.4 2,-0.2 -0.981 15.5 168.0-116.7 124.4 13.1 -11.6 7.4 21 20 A T E > -A 24 0A 7 3,-2.7 3,-1.1 -2,-0.5 27,-0.1 -0.678 55.8 -93.5-110.2-179.5 13.3 -13.7 10.5 22 21 A E T 3 S+ 0 0 136 21,-0.3 21,-0.1 1,-0.2 3,-0.1 0.704 126.1 56.9 -66.4 -17.1 12.4 -17.3 10.9 23 22 A Y T 3 S- 0 0 154 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.490 119.8 -74.8 -95.0 -5.5 8.9 -16.1 11.9 24 23 A G E < -A 21 0A 27 -3,-1.1 -3,-2.7 18,-0.2 2,-0.4 -0.946 56.3 -51.2 149.9-169.2 8.1 -14.0 8.8 25 24 A E E +A 20 0A 57 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.913 54.6 173.2-106.6 132.2 8.7 -10.9 6.8 26 25 A F E -A 19 0A 15 -7,-3.0 -7,-3.4 -2,-0.4 2,-0.4 -0.968 36.9-112.6-140.9 153.8 8.4 -7.5 8.6 27 26 A T E -A 18 0A 1 121,-0.8 2,-0.4 -2,-0.3 -9,-0.2 -0.692 37.5-162.1 -77.1 133.1 8.9 -3.8 8.1 28 27 A M E -A 17 0A 0 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.971 7.8-154.1-121.0 138.0 11.8 -2.7 10.3 29 28 A L E -AC 16 37A 1 8,-1.6 8,-1.8 -2,-0.4 2,-0.3 -0.940 10.5-144.4-110.6 119.4 12.5 1.0 11.4 30 29 A G E - C 0 36A 0 -15,-3.2 6,-0.3 -2,-0.5 3,-0.1 -0.636 18.0-177.5 -76.9 141.5 16.1 2.0 12.3 31 30 A I E - 0 0 0 4,-3.1 56,-2.6 1,-0.4 57,-0.4 0.842 51.9 -33.6-112.1 -52.2 16.1 4.5 15.1 32 31 A Y E > S- C 0 35A 21 3,-1.5 3,-3.1 54,-0.2 -1,-0.4 -0.957 105.2 -8.4-167.0 158.2 19.6 5.6 15.9 33 32 A D B 3 S-O 84 0B 70 51,-0.7 51,-2.8 -2,-0.3 49,-0.0 -0.256 128.5 -32.4 48.4-125.1 23.1 4.2 16.0 34 33 A R T 3 S+ 0 0 88 49,-0.2 44,-3.0 -4,-0.1 2,-0.5 0.179 110.6 115.5-108.9 19.0 22.7 0.4 15.4 35 34 A W E < +CD 32 77A 37 -3,-3.1 -4,-3.1 42,-0.2 -3,-1.5 -0.785 34.3 164.7 -96.2 128.9 19.2 0.2 17.2 36 35 A A E -CD 30 76A 0 40,-2.5 40,-2.3 -2,-0.5 2,-0.4 -0.702 25.9-128.8-126.8 172.9 16.1 -0.7 15.3 37 36 A V E +CD 29 75A 1 -8,-1.8 -8,-1.6 38,-0.2 38,-0.2 -0.993 20.2 178.5-130.6 146.5 12.6 -1.8 16.3 38 37 A L E - D 0 74A 0 36,-2.4 36,-2.9 -2,-0.4 -10,-0.1 -0.929 42.3 -94.1-129.9 153.7 10.4 -4.7 15.3 39 38 A P E > - D 0 73A 0 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.413 45.0-113.4 -59.4 152.3 6.9 -5.8 16.4 40 39 A R G > S+ 0 0 43 32,-1.7 3,-1.8 1,-0.3 33,-0.1 0.870 112.7 68.6 -65.9 -32.1 7.5 -8.4 19.2 41 40 A H G 3 S+ 0 0 46 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.667 80.6 77.9 -60.1 -14.9 6.0 -11.2 17.0 42 41 A A G < S- 0 0 0 -3,-1.7 -19,-0.6 1,-0.1 -1,-0.3 0.771 76.7-165.2 -65.3 -30.2 9.1 -11.0 14.7 43 42 A K < - 0 0 91 -3,-1.8 -21,-0.3 -4,-0.3 -20,-0.1 0.867 12.7-149.5 49.2 56.7 11.1 -13.0 17.3 44 43 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.238 9.1-154.9 -61.1 141.6 14.5 -12.1 15.7 45 44 A G - 0 0 18 2,-0.6 -2,-0.0 0, 0.0 3,-0.0 -0.129 46.6 -69.9 -96.0-161.3 17.3 -14.7 16.1 46 45 A P S S+ 0 0 111 0, 0.0 11,-3.1 0, 0.0 2,-0.3 0.710 123.2 34.5 -71.1 -20.7 21.1 -14.2 16.1 47 46 A T E - E 0 56A 54 9,-0.3 -2,-0.6 11,-0.0 2,-0.3 -0.988 68.0-179.7-127.5 145.3 20.9 -13.4 12.3 48 47 A I E - E 0 55A 1 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.853 31.8-115.7-127.7 164.8 18.2 -11.6 10.3 49 48 A L E -BE 20 54A 50 -29,-2.2 -29,-2.4 -2,-0.3 2,-0.5 -0.942 29.5-172.0 -96.4 125.6 17.9 -10.8 6.6 50 49 A M E > S-BE 19 53A 16 3,-2.8 3,-2.1 -2,-0.5 -31,-0.2 -0.997 80.2 -17.3-115.2 118.9 17.9 -7.0 6.2 51 50 A N T 3 S- 0 0 87 -33,-2.9 -32,-0.1 -2,-0.5 -1,-0.1 0.874 130.6 -54.9 45.9 42.5 17.1 -6.1 2.6 52 51 A D T 3 S+ 0 0 144 -34,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.423 117.1 113.2 75.2 4.2 18.0 -9.8 1.8 53 52 A Q E < S-E 50 0A 143 -3,-2.1 -3,-2.8 2,-0.0 2,-0.2 -0.868 72.3-113.2-106.0 139.2 21.5 -9.5 3.4 54 53 A E E -E 49 0A 152 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.502 37.8-179.2 -68.0 133.4 22.5 -11.5 6.5 55 54 A V E -E 48 0A 19 -7,-2.5 -7,-2.2 -2,-0.2 25,-0.1 -0.999 24.9-122.6-137.3 134.3 23.0 -9.2 9.6 56 55 A G E -E 47 0A 28 23,-0.5 23,-2.7 -2,-0.4 2,-0.6 -0.409 18.1-138.0 -72.0 146.1 24.1 -10.3 13.0 57 56 A V E -F 78 0A 25 -11,-3.1 21,-0.2 21,-0.2 3,-0.1 -0.939 17.9-176.6-107.6 118.7 21.9 -9.3 15.9 58 57 A L E - 0 0 82 19,-3.1 2,-0.3 -2,-0.6 20,-0.2 0.723 67.8 -4.0 -86.7 -25.9 23.8 -8.1 19.0 59 58 A D E -F 77 0A 74 18,-1.2 18,-2.9 2,-0.0 2,-0.3 -0.968 55.0-165.6-161.3 149.0 21.0 -7.6 21.5 60 59 A A E -F 76 0A 47 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.976 6.4-168.5-141.0 133.3 17.2 -7.9 21.5 61 60 A K E -F 75 0A 107 14,-2.8 14,-2.7 -2,-0.3 2,-0.6 -0.982 14.3-148.4-125.2 118.5 15.0 -6.4 24.2 62 61 A E E -F 74 0A 116 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.781 34.4-127.0 -83.5 116.4 11.2 -7.3 24.5 63 62 A L E + 0 0 22 10,-2.9 8,-2.0 -2,-0.6 9,-0.4 -0.554 37.6 164.7 -79.3 138.2 9.8 -4.1 26.0 64 63 A V E -F 70 0A 80 -2,-0.3 6,-0.2 6,-0.2 69,-0.0 -0.941 33.5-111.6-137.0 158.4 7.7 -4.1 29.0 65 64 A D > - 0 0 18 4,-2.2 3,-2.6 -2,-0.3 6,-0.1 -0.194 50.6 -75.9 -80.7-178.2 6.7 -1.3 31.4 66 65 A K T 3 S+ 0 0 118 1,-0.3 197,-0.2 2,-0.1 -1,-0.1 0.649 133.7 45.7 -49.8 -23.9 7.7 -0.7 35.1 67 66 A D T 3 S- 0 0 35 2,-0.1 -1,-0.3 195,-0.1 -2,-0.0 0.192 122.5-100.8-111.9 20.7 5.4 -3.5 36.1 68 67 A G < + 0 0 45 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.560 67.9 153.4 81.5 8.8 6.2 -6.0 33.5 69 68 A T - 0 0 2 1,-0.1 -4,-2.2 2,-0.0 -1,-0.3 -0.556 50.5-104.4 -74.3 133.8 3.3 -5.4 31.3 70 69 A N E -gF 133 64A 15 62,-0.8 64,-2.3 -2,-0.3 -6,-0.2 -0.246 31.1-177.5 -57.1 131.9 3.8 -6.2 27.5 71 70 A L E - 0 0 4 -8,-2.0 -7,-0.1 2,-0.2 -1,-0.1 0.432 38.5-128.4-108.7 -3.8 4.4 -3.3 25.2 72 71 A E E + 0 0 12 -9,-0.4 -32,-1.7 1,-0.2 2,-0.4 0.691 68.5 112.6 69.1 29.8 4.6 -5.5 22.0 73 72 A L E -D 39 0A 0 -10,-0.4 -10,-2.9 -34,-0.3 2,-0.5 -0.964 49.1-158.4-134.3 141.3 7.8 -4.1 20.7 74 73 A T E -DF 38 62A 2 -36,-2.9 -36,-2.4 -2,-0.4 2,-0.4 -0.992 8.8-154.4-119.2 125.3 11.3 -5.6 20.4 75 74 A L E -DF 37 61A 6 -14,-2.7 -14,-2.8 -2,-0.5 2,-0.4 -0.809 16.8-166.9 -93.6 136.1 14.3 -3.4 20.2 76 75 A L E -DF 36 60A 0 -40,-2.3 -40,-2.5 -2,-0.4 2,-0.5 -0.973 16.6-147.0-131.5 139.0 17.2 -4.9 18.4 77 76 A K E -DF 35 59A 55 -18,-2.9 -19,-3.1 -2,-0.4 -18,-1.2 -0.917 23.3-150.5-105.8 127.1 20.9 -3.9 18.1 78 77 A L E - F 0 57A 0 -44,-3.0 2,-1.8 -2,-0.5 -21,-0.2 -0.756 16.6-129.4-106.6 143.2 22.4 -4.8 14.8 79 78 A N + 0 0 99 -23,-2.7 -23,-0.5 -2,-0.4 2,-0.3 -0.579 61.5 128.2 -87.3 80.6 26.0 -5.6 14.0 80 79 A R - 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