==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-11 3ZYD . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS B3; . 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) . 8861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 75.7 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 . 21 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.8 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 0 112 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.5 -2.6 -13.1 4.8 2 1 A G H > + 0 0 42 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.931 360.0 46.2 -60.4 -50.7 -1.0 -14.3 1.5 3 2 A P H > S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 153,-0.2 0.898 111.9 52.5 -63.6 -34.2 -4.1 -15.8 0.1 4 3 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.921 110.0 49.4 -64.9 -43.9 -6.1 -12.7 1.0 5 4 A F H X S+ 0 0 100 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.949 111.3 48.2 -53.0 -53.5 -3.5 -10.5 -0.8 6 5 A E H X S+ 0 0 146 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.921 113.8 47.2 -59.0 -43.4 -3.7 -12.7 -3.9 7 6 A F H X S+ 0 0 35 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.926 112.8 49.5 -57.8 -49.6 -7.5 -12.5 -3.8 8 7 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.896 109.9 50.5 -56.9 -45.1 -7.4 -8.7 -3.3 9 8 A V H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 112.7 45.9 -64.2 -50.7 -5.0 -8.1 -6.1 10 9 A A H X S+ 0 0 58 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.897 113.7 49.6 -54.7 -45.6 -7.1 -10.2 -8.6 11 10 A M H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.921 110.7 49.5 -63.6 -43.6 -10.4 -8.5 -7.5 12 11 A M H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.903 109.5 51.5 -66.2 -38.1 -8.9 -5.0 -7.8 13 12 A K H < S+ 0 0 189 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.910 120.2 34.6 -63.4 -40.1 -7.6 -5.7 -11.3 14 13 A R H < S+ 0 0 162 -4,-1.8 71,-0.4 -5,-0.1 -2,-0.2 0.814 133.8 18.6 -83.8 -35.9 -11.0 -7.0 -12.5 15 14 A N H < S+ 0 0 4 -4,-3.0 15,-2.7 -5,-0.2 2,-0.2 0.501 99.1 89.9-122.7 -3.8 -13.5 -4.8 -10.6 16 15 A S E < +A 29 0A 21 -4,-1.8 2,-0.3 -5,-0.4 13,-0.2 -0.638 39.7 171.4-104.7 155.8 -11.9 -1.7 -9.3 17 16 A S E -A 28 0A 4 11,-1.8 11,-2.6 -2,-0.2 2,-0.5 -0.952 34.1-112.2-146.1 169.5 -11.4 1.8 -10.9 18 17 A T E -A 27 0A 27 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.915 37.9-170.2-109.0 133.9 -10.2 5.2 -9.7 19 18 A V E -AB 26 50A 1 7,-2.9 7,-3.0 -2,-0.5 2,-0.4 -0.918 15.0-157.6-131.9 142.2 -12.9 7.8 -9.5 20 19 A K E +AB 25 49A 120 29,-2.3 29,-2.4 -2,-0.4 2,-0.2 -0.989 14.8 171.2-119.4 129.7 -13.0 11.6 -9.0 21 20 A T E > -A 24 0A 10 3,-2.7 3,-1.0 -2,-0.4 27,-0.1 -0.662 55.7 -92.2-112.1-178.8 -16.1 13.5 -7.8 22 21 A E T 3 S+ 0 0 136 21,-0.3 3,-0.1 -2,-0.2 21,-0.1 0.732 127.3 56.3 -66.8 -15.5 -16.1 17.1 -6.8 23 22 A Y T 3 S- 0 0 155 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.497 120.3 -68.5 -95.8 -7.2 -15.4 15.9 -3.3 24 23 A G E < -A 21 0A 28 -3,-1.0 -3,-2.7 18,-0.2 2,-0.4 -0.906 56.1 -59.6 153.2-171.7 -12.2 13.9 -4.0 25 24 A E E +A 20 0A 60 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.893 54.2 178.2-108.1 132.4 -10.6 10.9 -5.5 26 25 A F E -A 19 0A 15 -7,-3.0 -7,-2.9 -2,-0.4 2,-0.4 -0.945 35.2-112.8-135.8 151.0 -11.9 7.5 -4.4 27 26 A T E -A 18 0A 1 121,-0.8 2,-0.5 -2,-0.3 -9,-0.2 -0.677 39.2-157.2 -74.4 136.3 -11.3 3.8 -5.1 28 27 A M E -A 17 0A 0 -11,-2.6 -11,-1.8 -2,-0.4 2,-0.6 -0.977 9.0-155.0-123.5 126.5 -14.5 2.5 -6.7 29 28 A L E -AC 16 37A 0 8,-1.1 8,-1.8 -2,-0.5 2,-0.3 -0.871 11.1-146.4 -98.7 120.8 -15.7 -1.1 -6.7 30 29 A G E - C 0 36A 0 -15,-2.7 6,-0.3 -2,-0.6 3,-0.1 -0.722 16.3-175.9 -83.0 139.7 -18.0 -2.2 -9.5 31 30 A I E - 0 0 0 4,-2.7 56,-2.9 1,-0.4 57,-0.4 0.874 52.0 -33.4-110.7 -55.5 -20.5 -4.8 -8.4 32 31 A Y E > S- C 0 35A 31 3,-1.3 3,-2.7 54,-0.2 -1,-0.4 -0.954 107.2 -9.0-161.5 159.8 -22.7 -6.1 -11.2 33 32 A D B 3 S-O 84 0B 37 51,-0.7 51,-3.1 -2,-0.3 44,-0.0 -0.217 127.4 -34.7 53.3-127.5 -24.2 -4.7 -14.4 34 33 A R T 3 S+ 0 0 70 49,-0.2 44,-2.7 -4,-0.0 2,-0.5 0.141 109.2 116.1-108.6 18.0 -23.6 -0.9 -14.2 35 34 A W E < +CD 32 77A 26 -3,-2.7 -4,-2.7 42,-0.2 -3,-1.3 -0.787 36.1 165.6 -90.5 130.0 -24.0 -0.7 -10.4 36 35 A A E -CD 30 76A 0 40,-2.8 40,-2.2 -2,-0.5 2,-0.4 -0.734 25.6-126.4-128.7 177.9 -21.0 0.4 -8.3 37 36 A V E +CD 29 75A 2 -8,-1.8 -8,-1.1 -2,-0.2 38,-0.2 -0.986 20.9 177.1-134.8 143.3 -20.4 1.5 -4.8 38 37 A L E - D 0 74A 0 36,-2.5 36,-3.1 -2,-0.4 -10,-0.1 -0.945 42.7 -93.1-134.7 152.5 -18.7 4.6 -3.1 39 38 A P E > - D 0 73A 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.436 45.0-115.1 -61.3 147.2 -18.3 5.8 0.4 40 39 A R G > S+ 0 0 40 32,-1.9 3,-2.1 1,-0.3 33,-0.1 0.838 112.3 66.5 -59.8 -35.6 -21.2 8.2 1.1 41 40 A H G 3 S+ 0 0 42 1,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.626 80.7 77.6 -62.6 -16.9 -18.8 11.1 1.5 42 41 A A G < S- 0 0 0 -3,-1.9 -19,-0.6 -20,-0.0 -1,-0.3 0.781 79.4-165.9 -61.6 -24.1 -17.9 10.8 -2.2 43 42 A K < - 0 0 87 -3,-2.1 -21,-0.3 -4,-0.3 -20,-0.1 0.871 14.7-146.4 41.6 58.2 -21.3 12.6 -2.8 44 43 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.308 11.7-152.2 -62.2 140.3 -21.2 11.8 -6.5 45 44 A G - 0 0 18 2,-0.5 12,-0.1 -2,-0.0 -2,-0.0 -0.070 44.0 -69.5 -95.0-163.7 -22.8 14.4 -8.9 46 45 A P S S+ 0 0 109 0, 0.0 11,-2.7 0, 0.0 2,-0.3 0.731 122.4 30.5 -66.0 -22.6 -24.5 14.0 -12.3 47 46 A T E - E 0 56A 44 9,-0.3 -2,-0.5 11,-0.0 2,-0.3 -0.989 68.8-172.6-131.2 145.8 -21.1 13.1 -13.8 48 47 A I E - E 0 55A 3 7,-3.1 7,-3.0 -2,-0.3 2,-0.6 -0.855 27.9-118.6-123.3 164.8 -18.0 11.4 -12.4 49 48 A L E -BE 20 54A 52 -29,-2.4 -29,-2.3 -2,-0.3 2,-0.5 -0.953 30.8-174.8 -97.1 124.3 -14.4 10.9 -13.7 50 49 A M E > S-BE 19 53A 10 3,-2.7 3,-1.6 -2,-0.6 -31,-0.2 -0.992 76.6 -17.5-123.2 116.2 -13.8 7.1 -14.0 51 50 A N T 3 S- 0 0 90 -33,-2.9 -1,-0.2 -2,-0.5 -32,-0.1 0.912 129.6 -55.0 47.1 47.7 -10.2 6.3 -15.0 52 51 A D T 3 S+ 0 0 157 -34,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.523 117.3 112.2 74.3 8.3 -9.9 9.9 -16.2 53 52 A Q E < S-E 50 0A 135 -3,-1.6 -3,-2.7 2,-0.0 -1,-0.2 -0.945 73.4-111.4-119.0 132.0 -12.9 9.6 -18.5 54 53 A E E -E 49 0A 144 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.386 38.3-178.4 -63.8 128.9 -16.2 11.4 -17.9 55 54 A V E -E 48 0A 14 -7,-3.0 -7,-3.1 -2,-0.1 2,-0.2 -0.992 22.5-127.4-133.4 128.7 -19.1 9.1 -17.0 56 55 A G E -EF 47 79A 25 23,-0.5 23,-3.4 -2,-0.4 2,-0.6 -0.481 15.2-138.5 -75.1 141.3 -22.7 10.0 -16.4 57 56 A V E - F 0 78A 24 -11,-2.7 21,-0.2 21,-0.2 3,-0.1 -0.897 17.1-176.2 -99.9 116.1 -24.4 8.9 -13.2 58 57 A L E S- 0 0 98 19,-2.7 2,-0.3 -2,-0.6 20,-0.2 0.798 70.6 -0.9 -78.8 -28.9 -28.0 7.7 -13.9 59 58 A D E - F 0 77A 65 18,-1.0 18,-2.4 2,-0.0 2,-0.3 -0.983 55.4-167.8-161.5 146.3 -28.9 7.1 -10.2 60 59 A A E - F 0 76A 46 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.966 7.7-165.5-143.4 128.1 -27.3 7.3 -6.8 61 60 A K E - F 0 75A 88 14,-2.9 14,-2.4 -2,-0.3 2,-1.0 -0.955 12.5-149.5-119.1 115.1 -28.8 5.9 -3.6 62 61 A E E - F 0 74A 112 -2,-0.5 12,-0.2 12,-0.2 2,-0.1 -0.714 32.2-128.7 -80.2 103.8 -27.5 6.9 -0.2 63 62 A L E + 0 0 28 10,-2.2 8,-2.1 -2,-1.0 9,-0.5 -0.287 35.3 168.5 -65.8 130.1 -28.1 3.7 1.9 64 63 A V E - F 0 70A 83 6,-0.2 6,-0.2 7,-0.2 69,-0.0 -0.946 29.9-118.1-130.1 152.0 -30.0 3.9 5.2 65 64 A D > - 0 0 26 4,-2.4 3,-1.9 -2,-0.3 6,-0.1 -0.098 48.4 -78.9 -77.3-171.1 -31.4 1.1 7.4 66 65 A K T 3 S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.685 132.5 47.6 -66.0 -20.8 -35.2 0.6 8.3 67 66 A D T 3 S- 0 0 148 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.139 122.8-101.3-105.9 20.2 -35.0 3.4 10.9 68 67 A G < + 0 0 52 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.588 68.6 154.9 78.0 12.1 -33.2 5.9 8.7 69 68 A T - 0 0 26 1,-0.1 -4,-2.4 2,-0.0 -1,-0.2 -0.615 49.5-106.0 -81.9 130.8 -29.8 5.3 10.2 70 69 A N E -gF 133 64A 16 62,-0.8 64,-1.9 -2,-0.4 -6,-0.2 -0.154 28.7-174.0 -51.7 137.3 -26.9 6.1 7.9 71 70 A L E - 0 0 4 -8,-2.1 -7,-0.2 2,-0.2 -1,-0.1 0.440 36.6-129.7-109.2 -6.8 -25.0 3.2 6.4 72 71 A E E + 0 0 8 -9,-0.5 -32,-1.9 1,-0.2 2,-0.4 0.683 68.4 112.9 66.3 24.0 -22.3 5.4 4.8 73 72 A L E -D 39 0A 0 -10,-0.4 -10,-2.2 -34,-0.3 2,-0.5 -0.960 47.7-161.6-121.6 143.4 -22.5 3.8 1.3 74 73 A T E -DF 38 62A 0 -36,-3.1 -36,-2.5 -2,-0.4 2,-0.4 -0.995 9.0-154.1-116.8 124.7 -23.8 5.3 -1.9 75 74 A L E -DF 37 61A 4 -14,-2.4 -14,-2.9 -2,-0.5 2,-0.4 -0.768 16.6-169.5 -91.1 139.9 -24.7 3.0 -4.7 76 75 A L E -DF 36 60A 0 -40,-2.2 -40,-2.8 -2,-0.4 2,-0.5 -0.993 18.0-145.7-135.4 142.4 -24.5 4.5 -8.2 77 76 A K E -DF 35 59A 69 -18,-2.4 -19,-2.7 -2,-0.4 -18,-1.0 -0.922 24.6-141.7-108.5 128.1 -25.6 3.4 -11.6 78 77 A L E - F 0 57A 1 -44,-2.7 2,-1.9 -2,-0.5 -21,-0.2 -0.732 12.8-130.7-102.6 137.7 -23.3 4.3 -14.4 79 78 A N E + F 0 56A 107 -23,-3.4 -23,-0.5 -2,-0.4 2,-0.3 -0.583 67.7 117.6 -79.6 83.0 -24.1 5.5 -17.9 80 79 A R - 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