==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-OCT-08 2ZTY . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS B3; . AUTHOR C.C.LEE,A.H.-J.WANG . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 44.3 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 4.0 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 . 18 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 6.2 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 1 0 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 3 2 3 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 1 A G > 0 0 77 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.0 28.2 -14.2 19.7 2 2 A P H > + 0 0 87 0, 0.0 4,-2.7 0, 0.0 150,-0.3 0.891 360.0 52.4 -65.0 -34.5 25.0 -15.7 18.4 3 3 A A H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.934 110.8 48.4 -65.9 -39.8 23.1 -12.5 19.4 4 4 A F H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.930 111.9 48.4 -64.9 -46.7 25.7 -10.4 17.5 5 5 A E H X S+ 0 0 148 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.927 113.5 47.5 -60.3 -44.0 25.4 -12.7 14.4 6 6 A F H X S+ 0 0 35 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.925 113.5 48.7 -62.1 -43.8 21.6 -12.5 14.6 7 7 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.905 109.0 50.6 -63.5 -44.3 21.7 -8.7 15.0 8 8 A V H X S+ 0 0 53 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.937 115.0 45.0 -60.9 -45.8 24.1 -8.0 12.1 9 9 A A H X S+ 0 0 56 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.903 113.1 49.2 -64.0 -43.5 21.9 -10.0 9.8 10 10 A M H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.879 112.2 48.2 -65.3 -38.9 18.7 -8.5 11.0 11 11 A M H X S+ 0 0 6 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.893 109.8 52.1 -69.8 -40.6 20.1 -5.0 10.6 12 12 A K H < S+ 0 0 194 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 119.2 36.7 -59.0 -44.0 21.4 -5.7 7.1 13 13 A R H < S+ 0 0 172 -4,-2.0 71,-0.4 -5,-0.1 -2,-0.2 0.828 132.9 16.4 -78.9 -39.8 18.0 -7.0 6.0 14 14 A N H < S+ 0 0 3 -4,-2.6 15,-3.2 -5,-0.2 2,-0.3 0.527 101.4 84.3-122.0 -1.2 15.4 -4.8 7.8 15 15 A S E < +A 28 0A 17 -4,-1.8 2,-0.3 -5,-0.3 13,-0.2 -0.709 42.7 173.3-107.0 159.3 17.0 -1.6 9.1 16 16 A S E -A 27 0A 3 11,-2.0 11,-3.1 -2,-0.3 2,-0.4 -0.952 36.2-104.3-150.8 166.2 17.8 1.7 7.6 17 17 A T E -A 26 0A 22 -2,-0.3 33,-2.3 9,-0.2 2,-0.4 -0.789 38.6-164.7 -94.2 132.8 19.0 5.2 8.5 18 18 A V E -AB 25 49A 1 7,-3.1 7,-3.9 -2,-0.4 2,-0.5 -0.956 10.1-160.5-123.3 140.2 16.2 7.8 8.7 19 19 A K E +AB 24 48A 129 29,-2.2 29,-2.1 -2,-0.4 5,-0.2 -0.994 16.4 169.4-120.5 124.0 16.5 11.5 8.8 20 20 A T E > -A 23 0A 8 3,-2.7 3,-1.4 -2,-0.5 27,-0.1 -0.665 56.1 -93.5-116.5 176.2 13.5 13.6 10.1 21 21 A E T 3 S+ 0 0 142 21,-0.3 3,-0.1 1,-0.2 21,-0.1 0.692 126.4 57.2 -68.8 -8.7 13.6 17.3 10.9 22 22 A Y T 3 S- 0 0 154 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.396 120.2 -72.3-100.4 2.1 14.4 16.2 14.5 23 23 A G E < -A 20 0A 29 -3,-1.4 -3,-2.7 18,-0.1 2,-0.5 -0.911 58.1 -53.3 144.3-170.9 17.5 14.2 13.8 24 24 A E E +A 19 0A 67 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.914 56.4 175.4-109.9 130.2 18.9 11.0 12.4 25 25 A F E -A 18 0A 8 -7,-3.9 -7,-3.1 -2,-0.5 2,-0.5 -0.876 35.2-110.0-136.2 163.4 17.5 7.7 13.6 26 26 A T E -A 17 0A 2 118,-1.5 2,-0.4 -2,-0.3 -9,-0.2 -0.796 35.8-164.0 -86.6 133.5 17.7 4.0 13.1 27 27 A M E -A 16 0A 0 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.5 -0.951 7.7-156.6-120.7 142.3 14.5 2.6 11.6 28 28 A L E -AC 15 36A 1 8,-1.6 8,-1.9 -2,-0.4 2,-0.3 -0.973 12.0-143.5-116.1 117.9 13.4 -1.0 11.5 29 29 A G E - C 0 35A 1 -15,-3.2 6,-0.3 -2,-0.5 3,-0.1 -0.681 18.7-178.2 -79.1 136.5 11.0 -2.2 8.8 30 30 A I E - 0 0 0 4,-2.6 56,-2.6 1,-0.3 57,-0.4 0.848 54.8 -31.5-103.3 -53.2 8.5 -4.8 10.1 31 31 A Y E > S- C 0 34A 23 3,-1.5 3,-2.7 54,-0.2 -1,-0.3 -0.938 110.7 -5.2-165.8 151.2 6.1 -5.9 7.3 32 32 A D B 3 S-O 83 0B 49 51,-0.7 51,-3.2 -2,-0.3 44,-0.0 -0.444 126.3 -43.2 62.8-121.8 4.6 -4.4 4.2 33 33 A R T 3 S+ 0 0 88 -2,-0.3 44,-2.9 49,-0.2 2,-0.5 -0.227 107.7 123.5-131.4 34.5 5.8 -0.8 4.4 34 34 A W E < +CD 31 76A 42 -3,-2.7 -4,-2.6 42,-0.2 -3,-1.5 -0.916 35.9 166.3 -99.9 125.1 5.0 -0.6 8.0 35 35 A A E -CD 29 75A 0 40,-2.6 40,-2.5 -2,-0.5 2,-0.4 -0.805 26.8-126.5-131.8 173.3 8.0 0.5 10.1 36 36 A V E +CD 28 74A 1 -8,-1.9 -8,-1.6 -2,-0.3 38,-0.2 -0.973 20.3 177.6-132.3 144.4 8.8 1.7 13.6 37 37 A L E - D 0 73A 0 36,-2.1 36,-3.2 -2,-0.4 2,-0.1 -0.938 41.7 -96.3-134.8 154.2 10.6 4.7 15.0 38 38 A P E > - D 0 72A 0 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.496 43.3-115.4 -69.1 147.2 11.2 5.9 18.5 39 39 A R G > S+ 0 0 68 32,-2.1 3,-2.5 1,-0.3 33,-0.1 0.908 111.5 65.7 -54.3 -43.3 8.5 8.5 19.3 40 40 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.630 80.1 79.2 -57.4 -13.0 11.0 11.3 19.6 41 41 A A G < S- 0 0 0 -3,-2.1 -19,-0.6 1,-0.0 -1,-0.3 0.756 79.8-163.2 -64.2 -23.6 11.9 11.0 15.9 42 42 A K < - 0 0 97 -3,-2.5 -21,-0.3 -4,-0.3 -20,-0.1 0.892 11.8-149.8 40.1 61.2 8.6 13.0 15.3 43 43 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.275 8.7-152.9 -60.8 145.0 8.4 12.1 11.6 44 44 A G - 0 0 21 2,-0.6 12,-0.0 0, 0.0 3,-0.0 -0.087 47.3 -64.3 -98.3-160.8 6.7 14.6 9.3 45 45 A P S S+ 0 0 100 0, 0.0 11,-2.1 0, 0.0 2,-0.3 0.614 124.2 21.3 -66.1 -16.9 4.8 14.1 6.0 46 46 A T E - E 0 55A 58 9,-0.3 -2,-0.6 31,-0.0 2,-0.2 -0.988 68.2-171.1-148.0 154.6 8.0 12.8 4.5 47 47 A I E - E 0 54A 3 7,-3.0 7,-3.0 -2,-0.3 2,-0.5 -0.767 29.4-111.8-132.0 173.9 11.3 11.4 5.8 48 48 A L E -BE 19 53A 62 -29,-2.1 -29,-2.2 -2,-0.2 2,-0.6 -0.975 28.9-168.7-112.6 129.1 14.6 10.6 4.2 49 49 A M E > S-BE 18 52A 5 3,-2.6 3,-0.7 -2,-0.5 -31,-0.2 -0.968 76.3 -15.8-124.3 111.9 15.4 6.9 4.1 50 50 A N T 3 S- 0 0 71 -33,-2.3 -1,-0.2 -2,-0.6 -32,-0.1 0.922 130.5 -52.7 55.7 51.8 19.0 6.0 3.2 51 51 A D T 3 S+ 0 0 150 -34,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.623 119.3 104.0 62.6 19.0 19.4 9.6 1.9 52 52 A Q E < S-E 49 0A 128 -3,-0.7 -3,-2.6 2,-0.0 -1,-0.1 -0.994 75.4-107.2-135.3 129.5 16.4 9.5 -0.4 53 53 A E E +E 48 0A 148 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.177 38.2 178.5 -55.2 134.2 13.0 11.2 0.3 54 54 A V E -E 47 0A 15 -7,-3.0 -7,-3.0 25,-0.0 2,-0.2 -0.999 23.0-124.4-141.6 140.6 10.0 9.0 1.2 55 55 A G E -EF 46 78A 20 23,-0.5 23,-2.6 -2,-0.3 2,-0.6 -0.560 13.1-140.4 -86.3 151.3 6.4 9.9 2.0 56 56 A V E - F 0 77A 25 -11,-2.1 21,-0.2 21,-0.2 3,-0.1 -0.926 14.4-176.1-113.5 108.3 4.6 8.8 5.2 57 57 A L E S+ 0 0 97 19,-2.1 2,-0.3 -2,-0.6 20,-0.2 0.643 71.9 0.5 -78.1 -15.6 1.0 7.7 4.6 58 58 A D E - F 0 76A 80 18,-1.2 18,-2.5 2,-0.0 2,-0.3 -0.970 55.1-165.5-171.1 151.4 0.3 7.3 8.3 59 59 A A E - F 0 75A 45 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.988 6.7-164.5-144.8 134.5 1.8 7.5 11.8 60 60 A K E - F 0 74A 130 14,-2.9 14,-2.2 -2,-0.3 2,-1.5 -0.941 12.5-151.5-128.3 111.9 0.5 6.1 15.0 61 61 A E E - F 0 73A 103 -2,-0.5 12,-0.2 12,-0.2 10,-0.1 -0.642 36.0-129.7 -79.5 91.8 1.9 7.3 18.3 62 62 A L E + 0 0 17 10,-1.6 8,-1.8 -2,-1.5 9,-0.5 -0.100 33.6 174.5 -51.4 134.7 1.2 4.0 20.2 63 63 A V E - F 0 69A 55 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.975 26.6-124.8-139.3 147.6 -0.6 4.1 23.6 64 64 A D > - 0 0 14 4,-2.3 3,-0.8 -2,-0.3 6,-0.1 -0.091 45.1 -88.9 -81.3-170.0 -1.8 1.3 25.9 65 65 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.248 125.3 59.7 -96.2 23.4 -5.4 1.2 27.0 66 66 A D T 3 S- 0 0 134 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.204 126.8-103.8-119.3 23.7 -5.4 3.4 30.1 67 67 A G S < S+ 0 0 50 -3,-0.8 -2,-0.2 1,-0.2 0, 0.0 0.462 70.5 158.6 66.7 6.1 -4.1 5.8 27.3 68 68 A T - 0 0 23 -5,-0.1 -4,-2.3 1,-0.1 2,-0.2 -0.167 44.6-102.5 -67.0 150.5 -0.5 5.6 28.5 69 69 A N E -gF 132 63A 17 62,-1.0 64,-2.1 -6,-0.2 -6,-0.2 -0.485 28.2-179.3 -71.1 137.5 2.5 6.3 26.3 70 70 A L E - 0 0 2 -8,-1.8 -7,-0.1 62,-0.2 -1,-0.1 0.435 39.3-129.4-112.6 -7.8 4.5 3.5 24.9 71 71 A E E + 0 0 21 -9,-0.5 -32,-2.1 1,-0.2 2,-0.4 0.734 66.1 115.4 65.6 30.7 7.1 5.8 23.1 72 72 A L E -D 38 0A 1 -10,-0.4 -10,-1.6 -34,-0.3 2,-0.5 -0.967 49.3-154.0-131.1 145.0 6.9 4.2 19.7 73 73 A T E -DF 37 61A 1 -36,-3.2 -36,-2.1 -2,-0.4 2,-0.4 -0.963 6.5-156.7-125.2 115.2 5.7 5.6 16.4 74 74 A L E -DF 36 60A 11 -14,-2.2 -14,-2.9 -2,-0.5 2,-0.4 -0.740 17.0-169.4 -86.0 133.5 4.5 3.2 13.7 75 75 A L E -DF 35 59A 0 -40,-2.5 -40,-2.6 -2,-0.4 2,-0.5 -0.994 17.7-148.8-133.3 135.3 4.7 4.7 10.3 76 76 A K E -DF 34 58A 68 -18,-2.5 -19,-2.1 -2,-0.4 -18,-1.2 -0.884 25.4-149.1 -98.9 125.7 3.3 3.5 7.0 77 77 A L E - F 0 56A 2 -44,-2.9 2,-1.0 -2,-0.5 -21,-0.2 -0.700 15.2-130.1-102.9 154.1 5.5 4.4 4.0 78 78 A N E + F 0 55A 108 -23,-2.6 -23,-0.5 -2,-0.3 2,-0.3 -0.693 64.3 108.2 -98.2 78.2 4.9 5.3 0.4 79 79 A R - 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