==== 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 3ZZA . 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) . 8735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 74.6 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 . 78 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 . 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 . 2 1.1 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 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 0 A M > 0 0 119 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -12.7 28.2 -13.3 22.7 2 1 A G H > + 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 360.0 46.8 -47.3 -55.7 29.7 -14.3 19.4 3 2 A P H > S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 153,-0.3 0.844 108.7 55.7 -58.7 -34.7 26.4 -15.6 18.0 4 3 A A H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.936 111.5 43.8 -62.9 -47.7 24.6 -12.4 19.2 5 4 A F H X S+ 0 0 114 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.950 113.2 52.7 -58.0 -48.3 27.2 -10.3 17.1 6 5 A E H X S+ 0 0 149 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.913 111.8 43.8 -58.1 -44.5 26.9 -12.7 14.2 7 6 A F H X S+ 0 0 34 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 114.1 52.1 -63.2 -43.6 23.1 -12.5 14.1 8 7 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.892 107.2 50.5 -63.9 -43.2 23.2 -8.7 14.5 9 8 A V H X S+ 0 0 46 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.930 113.1 46.2 -61.1 -45.6 25.6 -8.0 11.7 10 9 A A H X S+ 0 0 55 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.852 112.2 51.3 -66.3 -39.8 23.5 -10.1 9.3 11 10 A M H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.916 111.2 46.5 -63.1 -45.1 20.2 -8.5 10.4 12 11 A M H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.907 111.9 52.5 -66.4 -38.3 21.6 -4.9 9.9 13 12 A K H < S+ 0 0 181 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.878 119.6 33.0 -62.4 -38.9 23.0 -5.9 6.5 14 13 A R H < S+ 0 0 159 -4,-1.7 71,-0.3 -5,-0.2 -2,-0.2 0.856 134.0 18.8 -91.3 -31.9 19.7 -7.2 5.3 15 14 A N H < S+ 0 0 3 -4,-2.8 15,-2.9 -5,-0.2 2,-0.2 0.498 98.4 91.2-123.2 -8.0 17.1 -5.1 7.0 16 15 A S E < +A 29 0A 20 -4,-1.7 2,-0.3 -5,-0.5 13,-0.2 -0.649 39.5 170.3-100.0 157.9 18.6 -1.8 8.2 17 16 A S E -A 28 0A 3 11,-1.9 11,-3.2 -2,-0.2 2,-0.5 -0.909 35.0-109.5-147.1 171.4 19.0 1.6 6.7 18 17 A T E -A 27 0A 23 -2,-0.3 33,-3.1 9,-0.2 2,-0.4 -0.939 38.0-169.6-109.3 127.2 19.9 5.2 7.7 19 18 A V E -AB 26 50A 0 7,-3.0 7,-3.5 -2,-0.5 2,-0.4 -0.963 12.5-160.8-125.9 136.8 17.1 7.6 7.7 20 19 A K E +AB 25 49A 93 29,-2.2 29,-2.6 -2,-0.4 2,-0.2 -0.959 15.5 168.2-111.6 132.0 16.9 11.4 8.0 21 20 A T E > -A 24 0A 14 3,-2.7 3,-1.4 -2,-0.4 22,-0.1 -0.732 56.8 -90.4-119.2-175.5 13.8 13.3 9.0 22 21 A E T 3 S+ 0 0 145 21,-0.3 21,-0.1 1,-0.3 3,-0.1 0.742 127.7 56.8 -67.8 -16.8 13.4 16.9 10.0 23 22 A Y T 3 S- 0 0 155 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.355 119.8 -81.2-102.5 3.0 14.0 15.7 13.6 24 23 A G E < -A 21 0A 29 -3,-1.4 -3,-2.7 18,-0.2 2,-0.4 -0.887 55.6 -46.6 138.8-163.2 17.4 14.0 13.0 25 24 A E E +A 20 0A 40 -2,-0.3 2,-0.3 -5,-0.2 123,-0.3 -0.932 55.3 173.7-113.3 129.7 19.3 11.0 11.7 26 25 A F E -A 19 0A 8 -7,-3.5 -7,-3.0 -2,-0.4 2,-0.3 -0.936 37.1-112.3-132.9 156.9 18.2 7.5 12.8 27 26 A T E -A 18 0A 0 121,-2.1 2,-0.4 -2,-0.3 -9,-0.2 -0.686 38.3-157.5 -79.7 139.1 18.8 3.8 12.3 28 27 A M E -A 17 0A 0 -11,-3.2 -11,-1.9 -2,-0.3 2,-0.5 -0.983 6.3-155.0-124.6 132.0 15.7 2.3 10.6 29 28 A L E -AC 16 37A 0 8,-1.2 8,-2.0 -2,-0.4 2,-0.3 -0.892 9.0-145.8-108.5 126.0 14.7 -1.4 10.7 30 29 A G E - C 0 36A 1 -15,-2.9 6,-0.3 -2,-0.5 3,-0.1 -0.665 16.2-176.1 -86.3 142.2 12.6 -2.8 7.9 31 30 A I E - 0 0 0 4,-3.0 56,-2.8 1,-0.4 57,-0.3 0.836 52.9 -34.3-110.8 -50.5 10.2 -5.5 9.3 32 31 A Y E > S- C 0 35A 44 3,-1.2 3,-3.1 54,-0.2 -1,-0.4 -0.963 106.7 -5.3-166.5 162.9 8.3 -7.1 6.4 33 32 A D B 3 S-O 84 0B 44 51,-0.6 51,-3.1 -2,-0.3 44,-0.0 -0.228 127.9 -34.9 48.5-123.7 6.7 -6.1 3.1 34 33 A R T 3 S+ 0 0 63 49,-0.2 44,-3.0 -4,-0.1 2,-0.4 -0.020 110.0 116.7-113.0 25.7 7.2 -2.3 2.9 35 34 A W E < +CD 32 77A 25 -3,-3.1 -4,-3.0 42,-0.2 -3,-1.2 -0.841 35.1 165.1-102.3 132.5 6.8 -1.7 6.6 36 35 A A E -CD 30 76A 0 40,-2.7 40,-2.4 -2,-0.4 2,-0.4 -0.807 25.5-124.0-132.5 175.4 9.6 -0.3 8.8 37 36 A V E +CD 29 75A 0 -8,-2.0 -8,-1.2 -2,-0.2 38,-0.2 -0.962 23.0 171.2-130.9 142.6 9.9 1.2 12.3 38 37 A L E - D 0 74A 0 36,-2.1 36,-2.7 -2,-0.4 -10,-0.1 -0.956 46.9 -88.3-131.6 158.6 11.3 4.4 13.7 39 38 A P E > - D 0 73A 0 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.445 43.4-119.2 -60.8 141.4 11.2 6.0 17.2 40 39 A R G > S+ 0 0 43 32,-1.1 3,-2.1 1,-0.3 33,-0.1 0.863 111.5 66.1 -54.1 -37.5 8.0 8.0 17.4 41 40 A H G 3 S+ 0 0 47 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.518 81.5 74.8 -67.1 -8.1 10.1 11.1 18.0 42 41 A A G < S- 0 0 0 -3,-2.2 -19,-0.6 -20,-0.0 -1,-0.3 0.680 84.1-161.0 -69.7 -25.9 11.6 10.9 14.5 43 42 A K < - 0 0 79 -3,-2.1 -21,-0.3 -4,-0.3 -2,-0.1 0.858 8.7-148.8 49.3 54.9 8.2 12.2 13.3 44 43 A P - 0 0 22 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.233 11.4-153.0 -56.4 138.7 8.6 11.0 9.7 45 44 A G - 0 0 20 2,-0.7 12,-0.0 1,-0.0 3,-0.0 -0.075 44.8 -68.1 -95.7-159.8 6.7 13.3 7.2 46 45 A P S S+ 0 0 115 0, 0.0 11,-2.4 0, 0.0 2,-0.3 0.689 126.1 32.6 -63.7 -19.6 5.2 12.5 3.8 47 46 A T E - E 0 56A 51 9,-0.2 -2,-0.7 7,-0.0 2,-0.3 -0.995 68.8-177.4-139.3 140.9 8.8 12.1 2.7 48 47 A I E - E 0 55A 3 7,-2.1 7,-2.7 -2,-0.3 2,-0.6 -0.900 32.8-112.9-125.6 161.0 12.0 10.8 4.4 49 48 A L E -BE 20 54A 63 -29,-2.6 -29,-2.2 -2,-0.3 2,-0.5 -0.898 33.0-173.9 -88.7 119.7 15.7 10.5 3.4 50 49 A M E > S-BE 19 53A 9 3,-3.2 3,-1.9 -2,-0.6 -31,-0.2 -0.968 76.7 -25.7-119.2 109.5 16.4 6.7 3.2 51 50 A N T 3 S- 0 0 89 -33,-3.1 -1,-0.2 -2,-0.5 -32,-0.1 0.963 129.9 -47.9 44.7 60.1 20.2 6.2 2.6 52 51 A D T 3 S+ 0 0 146 -34,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.370 117.2 117.1 66.5 -4.2 20.2 9.7 0.9 53 52 A Q E < -E 50 0A 136 -3,-1.9 -3,-3.2 1,-0.0 2,-0.5 -0.825 69.7-123.7-100.3 134.7 17.1 8.9 -1.2 54 53 A E E -E 49 0A 154 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.577 38.8-175.0 -62.8 117.0 13.9 10.8 -1.0 55 54 A V E -E 48 0A 15 -7,-2.7 -7,-2.1 -2,-0.5 2,-0.2 -0.984 22.1-121.9-124.5 134.8 11.3 8.0 -0.3 56 55 A G E -EF 47 79A 26 23,-0.5 23,-3.2 -2,-0.4 2,-0.7 -0.532 14.3-143.9 -76.0 135.6 7.5 8.4 -0.1 57 56 A V E + F 0 78A 25 -11,-2.4 21,-0.2 -2,-0.2 3,-0.1 -0.886 18.0 179.4-101.3 107.2 5.7 7.4 3.1 58 57 A L E S+ 0 0 107 19,-2.0 2,-0.3 -2,-0.7 20,-0.2 0.780 70.1 7.3 -80.2 -30.0 2.3 5.9 2.2 59 58 A D E - F 0 77A 76 18,-1.1 18,-3.6 2,-0.0 2,-0.4 -0.982 59.8-175.7-155.4 143.2 1.2 5.2 5.7 60 59 A A E - F 0 76A 48 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.998 3.8-169.3-142.1 134.1 2.5 5.9 9.3 61 60 A K E - F 0 75A 89 14,-2.7 14,-2.6 -2,-0.4 2,-0.8 -0.977 14.2-150.2-127.9 118.3 1.1 4.8 12.6 62 61 A E E - F 0 74A 111 -2,-0.4 12,-0.3 12,-0.2 2,-0.1 -0.783 32.9-129.9 -82.1 113.2 2.3 6.1 16.0 63 62 A L E + 0 0 21 10,-2.9 8,-1.8 -2,-0.8 9,-0.5 -0.425 34.1 168.4 -73.0 136.8 1.8 3.1 18.3 64 63 A V E - F 0 70A 79 6,-0.2 6,-0.2 7,-0.2 5,-0.1 -0.952 31.1-113.6-135.2 157.3 -0.1 3.4 21.7 65 64 A D > - 0 0 18 4,-2.4 3,-1.9 -2,-0.3 6,-0.1 -0.115 48.3 -79.9 -82.4-172.9 -1.4 0.8 24.0 66 65 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.703 133.9 48.9 -63.9 -23.0 -5.1 0.0 24.8 67 66 A D T 3 S- 0 0 138 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.476 123.0-105.0 -85.9 -5.1 -5.2 3.0 27.2 68 67 A G < + 0 0 47 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.514 67.7 157.1 86.5 7.7 -3.7 5.3 24.6 69 68 A T - 0 0 27 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.467 48.9-102.0 -68.2 136.1 -0.3 5.3 26.4 70 69 A N E -gF 133 64A 15 62,-0.6 64,-2.3 -6,-0.2 -6,-0.2 -0.249 33.0-178.9 -56.0 134.9 2.7 6.1 24.3 71 70 A L E - 0 0 3 -8,-1.8 -7,-0.2 2,-0.2 -1,-0.1 0.481 38.7-129.5-109.5 -8.7 4.9 3.2 23.1 72 71 A E E + 0 0 2 -9,-0.5 -32,-1.1 1,-0.2 2,-0.4 0.748 67.3 116.9 68.7 31.7 7.3 5.5 21.2 73 72 A L E -D 39 0A 0 -10,-0.4 -10,-2.9 -34,-0.3 2,-0.4 -0.970 44.3-165.9-128.7 139.6 7.2 3.6 18.0 74 73 A T E -DF 38 62A 2 -36,-2.7 -36,-2.1 -2,-0.4 2,-0.4 -0.995 10.4-153.0-122.0 123.9 6.1 4.7 14.6 75 74 A L E -DF 37 61A 1 -14,-2.6 -14,-2.7 -2,-0.4 2,-0.4 -0.757 16.5-165.4 -92.3 140.6 5.4 2.1 11.9 76 75 A L E -DF 36 60A 0 -40,-2.4 -40,-2.7 -2,-0.4 2,-0.5 -0.994 18.2-145.3-135.3 139.9 5.8 3.4 8.4 77 76 A K E -DF 35 59A 49 -18,-3.6 -19,-2.0 -2,-0.4 -18,-1.1 -0.897 25.5-146.7-101.5 121.1 4.8 2.0 5.0 78 77 A L E - F 0 57A 1 -44,-3.0 2,-1.4 -2,-0.5 -21,-0.2 -0.714 12.3-134.1 -97.5 141.3 7.4 2.9 2.3 79 78 A N E + F 0 56A 101 -23,-3.2 -23,-0.5 -2,-0.3 2,-0.3 -0.680 65.5 112.7 -88.4 80.0 6.7 3.6 -1.3 80 79 A R - 0 0 67 -2,-1.4 -2,-0.1 2,-0.2 -25,-0.0 -0.969 67.3-127.7-147.9 158.8 9.4 1.5 -2.8 81 80 A N S S+ 0 0 149 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.934 83.5 82.2 -82.0 -42.7 9.5 -1.6 -4.9 82 81 A E S S- 0 0 139 1,-0.1 2,-0.3 -48,-0.0 -2,-0.2 -0.236 70.6-145.2 -57.9 143.7 11.9 -3.8 -2.9 83 82 A K - 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