==== 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 3ZZ7 . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS; . AUTHOR J.TAN,K.ANAND,J.R.MESTERS,R.HILGENFELD . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 44.2 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 1 2 2 2 4 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 1 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 0 118 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.8 27.3 -13.2 22.5 2 1 A G H > + 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.924 360.0 48.0 -64.1 -50.2 28.9 -14.2 19.2 3 2 A P H > S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 153,-0.2 0.887 110.2 55.6 -61.6 -35.9 25.8 -15.8 17.7 4 3 A A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 110.2 43.6 -59.1 -43.2 23.9 -12.6 18.7 5 4 A F H X S+ 0 0 101 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.919 111.6 54.8 -73.2 -39.9 26.3 -10.3 16.8 6 5 A E H X S+ 0 0 152 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.960 111.2 43.7 -54.1 -51.5 26.2 -12.7 13.9 7 6 A F H X S+ 0 0 36 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.945 114.4 51.5 -57.7 -50.2 22.4 -12.5 13.7 8 7 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.901 107.0 51.5 -54.8 -51.0 22.5 -8.7 14.2 9 8 A V H X S+ 0 0 46 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.924 114.2 44.0 -52.6 -49.2 25.0 -8.1 11.4 10 9 A A H X S+ 0 0 58 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.922 113.4 51.9 -64.7 -42.7 22.9 -10.1 8.9 11 10 A M H X S+ 0 0 2 -4,-3.1 4,-3.3 1,-0.2 5,-0.4 0.921 111.5 46.1 -59.6 -48.1 19.6 -8.4 10.2 12 11 A M H X S+ 0 0 3 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.847 110.5 52.2 -66.1 -35.3 21.0 -4.9 9.7 13 12 A K H < S+ 0 0 181 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.941 119.9 35.3 -65.9 -39.9 22.4 -5.7 6.3 14 13 A R H < S+ 0 0 166 -4,-2.2 71,-0.3 -5,-0.1 -2,-0.2 0.886 133.7 17.4 -83.0 -39.2 19.0 -7.0 5.1 15 14 A N H < S+ 0 0 4 -4,-3.3 15,-3.1 -5,-0.2 2,-0.2 0.546 99.1 87.0-118.5 -8.9 16.5 -4.8 6.9 16 15 A S E < +A 29 0A 16 -4,-1.4 2,-0.3 -5,-0.4 13,-0.2 -0.627 40.5 172.6-100.0 157.7 18.1 -1.5 8.3 17 16 A S E -A 28 0A 3 11,-2.0 11,-2.6 -2,-0.2 2,-0.5 -0.942 34.5-107.2-149.2 170.9 18.6 1.9 6.8 18 17 A T E -A 27 0A 23 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.880 38.9-170.9-106.0 133.5 19.7 5.3 7.8 19 18 A V E -AB 26 50A 0 7,-3.2 7,-3.5 -2,-0.5 2,-0.4 -0.940 14.0-160.3-130.9 142.7 17.0 7.9 8.0 20 19 A K E +AB 25 49A 98 29,-2.4 29,-3.0 -2,-0.4 2,-0.2 -0.996 15.4 166.5-120.1 130.0 16.9 11.6 8.5 21 20 A T E > -A 24 0A 8 3,-2.6 3,-1.1 -2,-0.4 27,-0.1 -0.663 56.5 -89.7-115.9-173.3 13.9 13.6 9.7 22 21 A E T 3 S+ 0 0 136 21,-0.3 3,-0.1 1,-0.3 21,-0.1 0.699 126.9 55.4 -74.8 -14.8 13.9 17.2 10.9 23 22 A Y T 3 S- 0 0 156 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.492 121.3 -73.4 -97.8 -4.4 14.4 16.0 14.4 24 23 A G E < -A 21 0A 28 -3,-1.1 -3,-2.6 18,-0.2 2,-0.4 -0.938 55.1 -53.4 151.1-167.7 17.6 14.0 13.6 25 24 A E E +A 20 0A 51 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.874 54.4 179.0-110.4 133.2 19.3 11.0 12.1 26 25 A F E -A 19 0A 14 -7,-3.5 -7,-3.2 -2,-0.4 2,-0.3 -0.970 34.9-113.7-134.5 158.3 18.1 7.6 13.1 27 26 A T E -A 18 0A 0 121,-1.2 2,-0.4 -2,-0.4 -9,-0.2 -0.659 39.0-160.2 -78.5 135.8 18.5 4.0 12.6 28 27 A M E -A 17 0A 0 -11,-2.6 -11,-2.0 -2,-0.3 2,-0.6 -0.992 9.5-155.1-125.8 130.8 15.4 2.6 10.9 29 28 A L E -AC 16 37A 0 8,-1.1 8,-1.6 -2,-0.4 2,-0.4 -0.899 11.1-145.0-101.0 121.8 14.3 -1.1 10.7 30 29 A G E - C 0 36A 0 -15,-3.1 6,-0.3 -2,-0.6 3,-0.1 -0.668 18.2-176.7 -78.1 135.8 12.0 -2.1 7.9 31 30 A I E - 0 0 0 4,-2.7 56,-2.5 1,-0.4 57,-0.4 0.851 53.2 -30.0-106.7 -54.5 9.5 -4.8 9.1 32 31 A Y E > S- C 0 35A 35 3,-1.3 3,-3.1 54,-0.2 -1,-0.4 -0.969 106.8 -14.1-159.2 157.3 7.4 -6.0 6.3 33 32 A D B 3 S-O 84 0B 37 51,-1.0 51,-3.1 -2,-0.3 44,-0.0 -0.274 127.3 -31.2 54.6-123.9 6.0 -4.8 3.0 34 33 A R T 3 S+ 0 0 58 49,-0.2 44,-2.9 -4,-0.1 2,-0.5 0.133 110.5 112.9-111.7 20.3 6.5 -0.9 3.2 35 34 A W E < +CD 32 77A 27 -3,-3.1 -4,-2.7 42,-0.2 -3,-1.3 -0.834 35.9 160.6 -95.1 130.6 6.1 -0.6 6.9 36 35 A A E -CD 30 76A 0 40,-2.5 40,-2.4 -2,-0.5 2,-0.4 -0.735 26.4-126.3-133.7-174.9 9.0 0.4 9.1 37 36 A V E +CD 29 75A 1 -8,-1.6 -8,-1.1 38,-0.2 38,-0.2 -0.989 19.9 175.7-140.6 144.5 9.5 1.7 12.6 38 37 A L E - D 0 74A 0 36,-2.4 36,-2.8 -2,-0.4 -10,-0.1 -0.930 44.6 -87.7-133.9 164.8 11.2 4.6 14.3 39 38 A P E > - D 0 73A 0 0, 0.0 3,-1.7 0, 0.0 34,-0.3 -0.446 44.2-116.1 -71.1 150.4 11.3 5.9 17.8 40 39 A R G > S+ 0 0 38 32,-1.6 3,-3.1 1,-0.3 33,-0.1 0.923 111.9 62.0 -55.8 -46.6 8.4 8.3 18.5 41 40 A H G 3 S+ 0 0 47 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.507 81.6 79.9 -64.0 -8.5 10.6 11.2 19.1 42 41 A A G < S- 0 0 0 -3,-1.7 -19,-0.6 -20,-0.0 -1,-0.3 0.710 82.1-162.3 -63.6 -20.3 12.0 11.0 15.5 43 42 A K < - 0 0 86 -3,-3.1 -21,-0.3 -4,-0.3 -20,-0.1 0.885 10.9-147.0 39.3 62.8 8.6 12.8 14.7 44 43 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.370 10.3-150.9 -65.1 137.1 8.7 11.8 11.0 45 44 A G - 0 0 19 2,-0.5 12,-0.1 -2,-0.1 -2,-0.0 -0.057 43.4 -72.6 -89.4-165.6 7.2 14.4 8.6 46 45 A P S S+ 0 0 112 0, 0.0 11,-2.9 0, 0.0 2,-0.3 0.694 123.1 32.8 -67.7 -23.7 5.4 13.9 5.2 47 46 A T E - E 0 56A 44 9,-0.3 -2,-0.5 11,-0.0 2,-0.3 -0.993 69.2-174.5-128.3 147.9 8.9 13.1 3.8 48 47 A I E - E 0 55A 3 7,-2.9 7,-2.9 -2,-0.3 2,-0.5 -0.852 29.3-115.6-125.3 164.3 12.0 11.5 5.2 49 48 A L E -BE 20 54A 61 -29,-3.0 -29,-2.4 -2,-0.3 2,-0.5 -0.931 31.6-174.6 -99.6 121.5 15.6 11.0 4.0 50 49 A M E > S-BE 19 53A 9 3,-2.6 3,-2.1 -2,-0.5 -31,-0.2 -0.991 74.9 -21.2-121.8 117.8 16.3 7.2 3.6 51 50 A N T 3 S- 0 0 89 -33,-2.9 -1,-0.2 -2,-0.5 -32,-0.1 0.934 129.3 -52.6 37.6 54.6 19.9 6.4 2.7 52 51 A D T 3 S+ 0 0 145 -34,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.504 117.4 113.8 69.5 9.4 20.2 10.0 1.4 53 52 A Q E < S-E 50 0A 134 -3,-2.1 -3,-2.6 2,-0.0 2,-0.2 -0.920 71.6-113.6-116.0 136.6 17.1 9.7 -0.8 54 53 A E E -E 49 0A 139 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.421 37.9-179.7 -65.8 125.0 13.8 11.5 -0.4 55 54 A V E -E 48 0A 14 -7,-2.9 -7,-2.9 -2,-0.2 2,-0.3 -0.993 23.5-128.8-132.4 130.2 10.9 9.2 0.5 56 55 A G E -E 47 0A 24 23,-0.5 23,-3.7 -2,-0.4 2,-0.8 -0.542 15.2-138.6 -77.2 135.5 7.3 10.1 1.0 57 56 A V E -F 78 0A 23 -11,-2.9 21,-0.2 -2,-0.3 3,-0.1 -0.861 17.7-175.0 -98.1 107.0 5.6 8.9 4.2 58 57 A L E + 0 0 103 19,-2.4 2,-0.3 -2,-0.8 20,-0.2 0.778 69.2 3.2 -72.4 -29.2 2.1 7.7 3.3 59 58 A D E -F 77 0A 69 18,-1.1 18,-2.0 2,-0.0 2,-0.3 -0.993 56.7-167.4-151.8 149.5 1.1 7.0 6.9 60 59 A A E -F 76 0A 47 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.970 3.6-167.5-140.8 142.6 2.4 7.3 10.4 61 60 A K E -F 75 0A 83 14,-2.3 14,-1.7 -2,-0.3 2,-0.6 -0.911 11.5-152.3-127.2 98.2 0.9 5.7 13.6 62 61 A E E -F 74 0A 113 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.598 30.4-126.5 -68.0 116.9 2.2 6.9 16.9 63 62 A L E + 0 0 28 10,-2.8 8,-2.4 -2,-0.6 9,-0.7 -0.533 37.3 162.9 -81.4 130.8 1.8 3.9 19.2 64 63 A V E -F 70 0A 82 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.936 32.8-116.2-133.0 155.4 -0.1 4.0 22.5 65 64 A D > - 0 0 23 4,-1.8 3,-2.1 -2,-0.3 6,-0.1 -0.131 48.2 -81.2 -81.8-178.7 -1.6 1.3 24.8 66 65 A K T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.724 132.3 50.6 -60.4 -25.2 -5.3 0.8 25.6 67 66 A D T 3 S- 0 0 147 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.115 121.9-105.1-100.3 23.3 -5.1 3.5 28.3 68 67 A G < + 0 0 51 -3,-2.1 2,-0.1 1,-0.2 -2,-0.1 0.449 67.7 153.7 71.7 3.4 -3.4 6.0 25.9 69 68 A T - 0 0 27 1,-0.1 -4,-1.8 -5,-0.1 -1,-0.2 -0.418 51.5 -99.9 -72.0 134.0 0.0 5.6 27.5 70 69 A N E -gF 133 64A 17 62,-0.9 64,-2.5 -6,-0.2 -6,-0.2 -0.220 32.7-178.7 -55.7 131.6 3.1 6.3 25.2 71 70 A L E - 0 0 4 -8,-2.4 -7,-0.2 2,-0.2 -1,-0.1 0.491 37.3-133.4-102.2 -13.1 4.9 3.3 23.7 72 71 A E E + 0 0 4 -9,-0.7 -32,-1.6 1,-0.2 2,-0.4 0.736 65.4 112.0 73.3 30.6 7.4 5.5 22.0 73 72 A L E -D 39 0A 0 -10,-0.4 -10,-2.8 -34,-0.3 2,-0.4 -0.978 47.8-160.7-131.1 144.7 7.3 3.9 18.6 74 73 A T E -DF 38 62A 0 -36,-2.8 -36,-2.4 -2,-0.4 2,-0.4 -0.994 9.1-151.8-121.9 130.2 6.0 5.3 15.3 75 74 A L E -DF 37 61A 6 -14,-1.7 -14,-2.3 -2,-0.4 2,-0.4 -0.811 18.2-168.3 -98.1 142.7 5.1 3.0 12.5 76 75 A L E -DF 36 60A 0 -40,-2.4 -40,-2.5 -2,-0.4 2,-0.6 -0.993 18.9-146.2-139.3 140.7 5.5 4.4 9.1 77 76 A K E -DF 35 59A 52 -18,-2.0 -19,-2.4 -2,-0.4 -18,-1.1 -0.944 24.3-143.2-109.0 123.1 4.4 3.4 5.7 78 77 A L E - 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