==== 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 3ZZ9 . 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) . 8706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 73.5 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 . 19 10.5 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 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 0 129 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -6.7 27.7 -13.3 22.8 2 1 A G H > + 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.921 360.0 44.2 -47.7 -58.8 29.3 -14.4 19.6 3 2 A P H > S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 153,-0.3 0.829 110.6 56.4 -60.3 -31.9 26.1 -15.8 18.0 4 3 A A H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.961 109.7 45.8 -63.5 -42.5 24.2 -12.6 19.1 5 4 A F H X S+ 0 0 104 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.908 112.3 50.5 -62.7 -44.8 26.8 -10.5 17.3 6 5 A E H X S+ 0 0 155 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.917 111.4 47.8 -62.5 -43.9 26.6 -12.7 14.2 7 6 A F H X S+ 0 0 35 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.947 112.8 50.0 -56.1 -52.6 22.7 -12.5 14.2 8 7 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.934 108.6 50.5 -51.7 -49.7 22.9 -8.6 14.7 9 8 A V H X S+ 0 0 46 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.925 114.6 44.3 -60.0 -49.2 25.3 -8.0 11.8 10 9 A A H X S+ 0 0 55 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.885 113.5 50.9 -62.2 -45.4 23.2 -10.1 9.4 11 10 A M H X S+ 0 0 3 -4,-3.1 4,-3.7 2,-0.2 5,-0.3 0.937 112.5 45.5 -51.7 -50.5 19.9 -8.5 10.6 12 11 A M H X S+ 0 0 4 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.875 112.7 51.1 -69.7 -35.0 21.2 -5.0 10.1 13 12 A K H < S+ 0 0 190 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.939 120.1 36.3 -61.6 -45.9 22.7 -5.9 6.7 14 13 A R H < S+ 0 0 158 -4,-2.3 71,-0.3 -5,-0.2 -2,-0.2 0.885 132.5 16.6 -75.4 -42.6 19.4 -7.3 5.7 15 14 A N H < S+ 0 0 2 -4,-3.7 15,-3.0 -5,-0.2 2,-0.3 0.414 99.0 84.1-122.1 2.8 16.8 -5.0 7.3 16 15 A S E < +A 29 0A 18 -4,-1.4 2,-0.3 -5,-0.3 13,-0.2 -0.758 38.7 171.0-117.0 162.1 18.1 -1.7 8.5 17 16 A S E -A 28 0A 2 11,-2.3 11,-2.5 -2,-0.3 2,-0.5 -0.860 36.5-101.2-151.3 179.0 18.8 1.7 7.0 18 17 A T E -A 27 0A 22 -2,-0.3 33,-2.8 9,-0.2 2,-0.4 -0.946 38.0-166.5-112.3 130.6 19.8 5.2 8.1 19 18 A V E -AB 26 50A 0 7,-3.4 7,-4.0 -2,-0.5 2,-0.5 -0.958 10.1-161.7-122.0 135.9 17.0 7.7 8.2 20 19 A K E +AB 25 49A 116 29,-2.4 29,-2.2 -2,-0.4 2,-0.3 -0.964 14.9 174.0-111.4 131.3 17.0 11.4 8.5 21 20 A T E > -A 24 0A 5 3,-4.1 3,-1.9 -2,-0.5 27,-0.1 -0.856 53.7 -94.6-121.4 176.6 14.0 13.4 9.6 22 21 A E T 3 S+ 0 0 123 -2,-0.3 21,-0.1 1,-0.3 3,-0.1 0.715 129.2 51.6 -63.0 -18.8 13.5 17.0 10.3 23 22 A Y T 3 S- 0 0 158 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.468 122.8 -78.3 -97.7 -9.3 14.2 15.9 14.0 24 23 A G E < -A 21 0A 25 -3,-1.9 -3,-4.1 18,-0.2 2,-0.4 -0.952 54.6 -49.7 149.7-164.3 17.4 14.1 13.3 25 24 A E E +A 20 0A 54 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.914 54.0 171.6-109.7 133.5 19.2 11.0 12.0 26 25 A F E -A 19 0A 13 -7,-4.0 -7,-3.4 -2,-0.4 2,-0.3 -0.941 38.1-107.7-137.6 158.6 18.1 7.6 13.2 27 26 A T E -A 18 0A 0 121,-1.9 2,-0.4 -2,-0.3 -9,-0.2 -0.699 39.9-158.6 -79.0 138.1 18.6 3.9 12.7 28 27 A M E -A 17 0A 0 -11,-2.5 -11,-2.3 -2,-0.3 2,-0.5 -0.989 7.4-152.3-126.9 137.8 15.5 2.4 11.0 29 28 A L E -AC 16 37A 0 8,-1.3 8,-2.1 -2,-0.4 2,-0.4 -0.930 8.0-147.4-115.3 123.0 14.4 -1.3 11.0 30 29 A G E - C 0 36A 0 -15,-3.0 6,-0.3 -2,-0.5 3,-0.1 -0.698 16.3-175.2 -87.6 137.8 12.3 -2.6 8.2 31 30 A I E - 0 0 0 4,-2.9 56,-3.2 1,-0.4 57,-0.3 0.872 51.2 -31.5-106.6 -55.0 9.9 -5.3 9.4 32 31 A Y E > S- C 0 35A 35 3,-1.2 3,-2.6 54,-0.3 -1,-0.4 -0.972 106.0 -12.5-158.7 161.0 7.9 -7.0 6.6 33 32 A D B 3 S-O 84 0B 41 51,-0.8 51,-3.4 -2,-0.3 -3,-0.0 -0.135 127.6 -29.8 48.7-107.5 6.5 -6.0 3.3 34 33 A R T 3 S+ 0 0 57 49,-0.2 44,-2.7 -2,-0.1 2,-0.4 0.272 107.5 110.1-130.4 11.8 6.8 -2.2 3.2 35 34 A W E < +CD 32 77A 32 -3,-2.6 -4,-2.9 42,-0.2 -3,-1.2 -0.828 37.5 173.3-104.2 128.5 6.5 -1.4 6.9 36 35 A A E -CD 30 76A 0 40,-2.6 40,-2.8 -2,-0.4 2,-0.3 -0.709 19.4-132.2-120.8 169.4 9.4 -0.0 8.9 37 36 A V E +CD 29 75A 1 -8,-2.1 -8,-1.3 38,-0.2 38,-0.2 -0.975 20.6 172.2-126.0 145.9 9.7 1.4 12.6 38 37 A L E - D 0 74A 0 36,-2.4 36,-2.6 -2,-0.3 2,-0.2 -0.920 46.8 -84.3-133.2 167.0 11.3 4.5 14.2 39 38 A P E > - D 0 73A 0 0, 0.0 3,-2.5 0, 0.0 34,-0.3 -0.536 45.6-117.0 -68.0 147.1 11.3 6.0 17.7 40 39 A R G > S+ 0 0 48 32,-1.3 3,-2.3 1,-0.3 33,-0.1 0.850 112.5 64.1 -53.2 -42.8 8.2 8.2 18.0 41 40 A H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.530 77.7 81.6 -61.5 -11.2 10.3 11.3 18.5 42 41 A A G < S- 0 0 0 -3,-2.5 -19,-0.6 -20,-0.0 -1,-0.3 0.684 82.4-161.2 -59.6 -19.7 11.8 10.9 15.0 43 42 A K < - 0 0 83 -3,-2.3 -21,-0.2 -4,-0.3 -2,-0.1 0.851 14.1-145.6 36.9 52.7 8.4 12.6 14.2 44 43 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.174 10.6-143.2 -53.3 132.3 8.8 11.4 10.6 45 44 A G - 0 0 15 2,-0.5 12,-0.1 -3,-0.2 3,-0.0 0.112 38.3 -79.2 -80.9-164.0 7.4 13.9 8.1 46 45 A P S S+ 0 0 114 0, 0.0 11,-2.2 0, 0.0 2,-0.3 0.712 123.5 32.2 -73.6 -16.8 5.4 13.3 4.9 47 46 A T E S- E 0 56A 59 9,-0.2 -2,-0.5 10,-0.0 2,-0.3 -0.977 74.0-168.6-131.6 144.6 8.8 12.5 3.3 48 47 A I E - E 0 55A 4 7,-2.5 7,-2.4 -2,-0.3 2,-0.6 -0.849 26.2-119.0-122.5 167.4 12.0 11.0 4.9 49 48 A L E -BE 20 54A 53 -29,-2.2 -29,-2.4 -2,-0.3 2,-0.5 -0.957 31.8-173.7-102.5 114.4 15.6 10.7 3.8 50 49 A M E > S-BE 19 53A 10 3,-3.3 3,-0.9 -2,-0.6 -31,-0.2 -0.948 75.0 -20.4-117.9 117.7 16.4 6.9 3.6 51 50 A N T 3 S- 0 0 86 -33,-2.8 -1,-0.2 -2,-0.5 -32,-0.1 0.945 132.1 -50.3 40.4 51.7 20.1 6.2 2.9 52 51 A D T 3 S+ 0 0 146 -34,-0.3 2,-0.5 -3,-0.2 -1,-0.2 0.591 118.2 117.1 74.8 14.4 20.2 9.7 1.6 53 52 A Q E < -E 50 0A 138 -3,-0.9 -3,-3.3 2,-0.0 2,-0.2 -0.952 68.5-117.0-125.4 130.4 17.1 9.2 -0.6 54 53 A E E +E 49 0A 162 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.403 39.2 175.6 -61.4 126.7 13.7 10.9 -0.5 55 54 A V E -E 48 0A 18 -7,-2.4 -7,-2.5 -2,-0.2 2,-0.2 -0.999 25.4-122.2-139.0 136.5 11.0 8.5 0.3 56 55 A G E -E 47 0A 25 23,-0.4 23,-3.2 -2,-0.4 2,-1.0 -0.523 11.9-137.2 -84.4 145.5 7.2 9.0 0.9 57 56 A V E -F 78 0A 24 -11,-2.2 21,-0.2 -2,-0.2 -1,-0.1 -0.712 15.9-174.2-103.2 82.4 5.4 8.0 4.0 58 57 A L E S- 0 0 97 19,-1.1 2,-0.3 -2,-1.0 -1,-0.1 0.645 75.3 -9.3 -51.9 -19.5 2.0 6.4 2.9 59 58 A D E -F 77 0A 83 18,-0.7 18,-2.1 -3,-0.1 2,-0.2 -0.905 58.8-157.8-174.3 153.8 1.0 6.2 6.5 60 59 A A E -F 76 0A 40 -2,-0.3 2,-0.8 16,-0.2 16,-0.2 -0.712 6.1-169.8-149.0 92.7 2.5 6.7 10.0 61 60 A K E -F 75 0A 95 14,-1.2 14,-2.9 -2,-0.2 2,-0.3 -0.754 10.1-155.8 -84.6 108.3 0.9 5.1 13.2 62 61 A E E -F 74 0A 109 -2,-0.8 2,-0.3 12,-0.3 12,-0.3 -0.662 29.9-125.0 -71.3 134.1 2.5 6.4 16.4 63 62 A L E + 0 0 23 10,-3.7 8,-1.4 -2,-0.3 9,-0.7 -0.699 36.6 163.3 -99.2 142.7 1.8 3.6 18.9 64 63 A V E -F 70 0A 83 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.958 31.7-115.5-139.3 157.8 0.1 3.6 22.4 65 64 A D > - 0 0 19 4,-1.7 3,-1.6 -2,-0.3 6,-0.1 -0.119 47.5 -82.6 -83.4-173.8 -1.4 0.9 24.7 66 65 A K T 3 S+ 0 0 200 1,-0.3 2,-0.2 2,-0.2 -1,-0.0 0.929 130.2 55.1 -64.9 -42.8 -5.0 0.4 25.7 67 66 A D T 3 S- 0 0 142 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.055 121.6-109.1 -76.3 31.1 -4.8 3.0 28.5 68 67 A G < + 0 0 49 -3,-1.6 -2,-0.2 -2,-0.2 -1,-0.1 0.472 68.7 155.3 57.5 7.7 -3.6 5.4 25.7 69 68 A T - 0 0 23 1,-0.1 -4,-1.7 -5,-0.1 2,-0.3 -0.190 49.2 -91.1 -68.9 153.8 -0.1 5.3 27.3 70 69 A N E +gF 133 64A 14 62,-0.9 64,-2.7 -6,-0.2 -6,-0.2 -0.480 39.6 168.1 -68.7 127.4 3.1 6.0 25.4 71 70 A L E - 0 0 2 -8,-1.4 -7,-0.2 -2,-0.3 -1,-0.1 0.494 41.0-136.2-108.5 -21.1 5.0 3.2 23.8 72 71 A E E + 0 0 5 -9,-0.7 -32,-1.3 1,-0.2 2,-0.4 0.787 59.3 118.0 73.6 34.8 7.3 5.5 21.8 73 72 A L E -D 39 0A 0 -10,-0.4 -10,-3.7 -34,-0.3 2,-0.4 -0.976 43.9-161.4-129.2 142.6 7.3 3.8 18.4 74 73 A T E -DF 38 62A 1 -36,-2.6 -36,-2.4 -2,-0.4 2,-0.4 -0.994 9.9-152.2-119.4 129.9 6.1 5.0 15.1 75 74 A L E -DF 37 61A 4 -14,-2.9 -14,-1.2 -2,-0.4 2,-0.4 -0.856 15.4-166.7 -99.0 139.9 5.3 2.6 12.3 76 75 A L E -DF 36 60A 0 -40,-2.8 -40,-2.6 -2,-0.4 2,-0.6 -0.982 18.1-148.1-130.6 137.4 5.7 3.8 8.7 77 76 A K E -DF 35 59A 50 -18,-2.1 -19,-1.1 -2,-0.4 -18,-0.7 -0.916 28.5-143.0-103.5 122.1 4.6 2.4 5.4 78 77 A L E - 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