==== 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 3ZZB . 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) . 8671.0 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 . 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 . 0 0.0 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 . 22 12.2 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 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.9 26.9 -12.7 22.2 2 1 A G H > + 0 0 42 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.959 360.0 39.3 -58.0 -59.1 28.7 -14.2 19.2 3 2 A P H > S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.864 113.4 59.7 -63.7 -28.3 25.7 -15.7 17.5 4 3 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.950 107.3 44.9 -53.9 -48.0 23.8 -12.5 18.6 5 4 A F H X S+ 0 0 102 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.883 111.4 52.3 -70.0 -41.0 26.3 -10.4 16.6 6 5 A E H X S+ 0 0 151 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.947 114.3 42.9 -56.6 -52.1 26.2 -12.7 13.5 7 6 A F H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.951 113.2 53.5 -54.3 -54.1 22.4 -12.4 13.5 8 7 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.917 110.8 45.9 -50.5 -47.1 22.5 -8.6 14.2 9 8 A V H X S+ 0 0 34 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.922 112.9 47.3 -68.6 -45.0 24.8 -8.0 11.2 10 9 A A H X S+ 0 0 59 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.884 114.5 49.4 -61.7 -39.0 22.9 -10.1 8.7 11 10 A M H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.895 109.6 49.8 -69.8 -39.7 19.6 -8.5 9.9 12 11 A M H X S+ 0 0 3 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.844 110.7 51.0 -68.0 -32.5 21.0 -4.9 9.6 13 12 A K H < S+ 0 0 170 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.901 118.5 36.8 -70.1 -38.9 22.3 -5.6 6.1 14 13 A R H < S+ 0 0 165 -4,-1.9 71,-0.4 -5,-0.2 -2,-0.2 0.833 132.8 17.1 -82.9 -33.5 18.9 -7.0 4.9 15 14 A N H < S+ 0 0 4 -4,-2.4 15,-3.3 -5,-0.2 2,-0.2 0.503 99.3 83.8-127.8 -3.9 16.4 -4.7 6.8 16 15 A S E < +A 29 0A 19 -4,-1.4 2,-0.3 -5,-0.3 13,-0.2 -0.660 41.4 174.3-105.0 161.3 17.9 -1.5 8.1 17 16 A S E -A 28 0A 2 11,-1.4 11,-1.8 -2,-0.2 2,-0.5 -0.895 36.0-104.4-149.8 174.6 18.5 1.9 6.6 18 17 A T E -A 27 0A 27 -2,-0.3 33,-3.3 9,-0.2 2,-0.4 -0.939 41.0-169.2-110.0 132.3 19.7 5.3 7.7 19 18 A V E -AB 26 50A 0 7,-2.9 7,-3.6 -2,-0.5 2,-0.4 -0.957 14.8-159.5-125.7 142.9 16.9 7.9 8.0 20 19 A K E +AB 25 49A 100 29,-2.1 29,-2.3 -2,-0.4 2,-0.2 -0.988 14.1 171.7-118.1 130.2 16.8 11.6 8.5 21 20 A T E > -A 24 0A 5 3,-2.5 3,-1.2 -2,-0.4 22,-0.1 -0.650 55.0 -95.3-113.5 176.2 13.7 13.4 9.8 22 21 A E T 3 S+ 0 0 136 21,-0.3 3,-0.1 -2,-0.2 21,-0.1 0.648 126.3 59.3 -64.8 -15.8 13.8 17.1 10.8 23 22 A Y T 3 S- 0 0 154 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.419 120.3 -77.1 -99.3 -1.3 14.4 15.9 14.3 24 23 A G E < -A 21 0A 27 -3,-1.2 -3,-2.5 18,-0.1 2,-0.4 -0.899 56.8 -47.8 142.4-165.4 17.6 14.0 13.5 25 24 A E E +A 20 0A 50 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.889 53.8 177.9-110.8 132.3 19.2 11.0 12.1 26 25 A F E -A 19 0A 12 -7,-3.6 -7,-2.9 -2,-0.4 2,-0.3 -0.917 34.6-117.4-133.3 155.2 18.0 7.6 13.0 27 26 A T E -A 18 0A 0 121,-1.4 2,-0.4 -2,-0.3 -9,-0.2 -0.717 37.7-160.6 -76.7 143.1 18.5 3.9 12.4 28 27 A M E -A 17 0A 0 -11,-1.8 -11,-1.4 -2,-0.3 2,-0.5 -0.972 11.0-155.4-135.7 122.0 15.3 2.4 10.8 29 28 A L E -AC 16 37A 0 8,-0.8 8,-1.9 -2,-0.4 2,-0.4 -0.806 12.7-147.0 -91.6 124.5 14.3 -1.2 10.7 30 29 A G E - C 0 36A 0 -15,-3.3 6,-0.3 -2,-0.5 3,-0.1 -0.821 14.8-171.9 -88.6 141.1 11.9 -2.1 7.9 31 30 A I E - 0 0 0 4,-2.7 56,-3.0 -2,-0.4 57,-0.4 0.889 51.3 -34.2-106.0 -52.2 9.5 -4.8 9.0 32 31 A Y E > S- C 0 35A 32 3,-1.4 3,-2.2 54,-0.2 -1,-0.4 -0.939 106.8 -7.4-166.4 153.0 7.4 -6.1 6.1 33 32 A D B 3 S-O 84 0B 38 51,-0.9 51,-3.8 -2,-0.3 44,-0.0 -0.288 126.3 -33.2 59.3-132.9 5.8 -4.7 3.0 34 33 A R T 3 S+ 0 0 61 49,-0.2 44,-3.5 -3,-0.1 2,-0.5 0.167 110.8 111.6-104.0 13.0 6.3 -0.8 3.1 35 34 A W E < +CD 32 77A 28 -3,-2.2 -4,-2.7 42,-0.3 -3,-1.4 -0.795 36.6 161.6 -93.7 127.4 6.0 -0.6 7.0 36 35 A A E -CD 30 76A 0 40,-2.7 40,-2.7 -2,-0.5 2,-0.4 -0.733 28.2-123.0-129.4 179.0 9.1 0.4 9.0 37 36 A V E +CD 29 75A 1 -8,-1.9 -8,-0.8 -2,-0.2 38,-0.2 -0.990 22.8 174.6-134.6 140.3 9.6 1.6 12.6 38 37 A L E - D 0 74A 0 36,-2.2 36,-2.9 -2,-0.4 -10,-0.1 -0.891 45.8 -88.8-129.2 159.5 11.2 4.7 14.1 39 38 A P E > - D 0 73A 0 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.424 43.5-117.9 -58.7 151.4 11.3 5.9 17.8 40 39 A R G > S+ 0 0 45 32,-1.6 3,-2.6 1,-0.3 33,-0.1 0.938 113.8 62.8 -64.5 -38.0 8.3 8.2 18.4 41 40 A H G 3 S+ 0 0 49 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.464 82.2 80.4 -69.1 -1.2 10.5 11.1 19.1 42 41 A A G < S- 0 0 0 -3,-1.7 -19,-0.6 -20,-0.0 -1,-0.3 0.677 82.0-161.2 -72.5 -24.9 11.8 10.8 15.5 43 42 A K < - 0 0 82 -3,-2.6 -21,-0.3 -4,-0.3 -20,-0.1 0.847 6.1-150.2 50.5 56.1 8.6 12.7 14.5 44 43 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.332 10.7-157.7 -61.2 130.1 8.6 11.7 10.8 45 44 A G - 0 0 22 2,-0.5 3,-0.0 -2,-0.1 12,-0.0 0.029 47.9 -63.7 -85.6-154.2 6.9 14.4 8.6 46 45 A P S S+ 0 0 105 0, 0.0 11,-3.4 0, 0.0 2,-0.3 0.742 123.8 26.4 -69.7 -23.3 5.3 13.9 5.2 47 46 A T E - E 0 56A 41 9,-0.3 -2,-0.5 31,-0.0 2,-0.3 -0.997 67.1-171.9-140.4 146.5 8.7 13.0 3.8 48 47 A I E - E 0 55A 3 7,-2.4 7,-3.0 -2,-0.3 2,-0.7 -0.834 29.9-113.6-124.7 165.8 11.9 11.5 5.2 49 48 A L E -BE 20 54A 53 -29,-2.3 -29,-2.1 -2,-0.3 2,-0.5 -0.938 33.0-174.5 -99.5 111.8 15.4 10.9 3.9 50 49 A M E > S-BE 19 53A 11 3,-2.9 3,-1.9 -2,-0.7 -31,-0.2 -0.953 76.9 -17.5-106.9 125.2 16.1 7.2 3.6 51 50 A N T 3 S- 0 0 94 -33,-3.3 -1,-0.2 -2,-0.5 -32,-0.1 0.925 132.2 -52.4 42.2 47.5 19.6 6.3 2.5 52 51 A D T 3 S+ 0 0 150 -34,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.488 117.8 111.2 72.3 12.2 19.9 10.0 1.4 53 52 A Q E < S-E 50 0A 137 -3,-1.9 -3,-2.9 2,-0.0 2,-0.2 -0.939 73.5-112.4-123.8 134.2 16.8 9.9 -0.8 54 53 A E E -E 49 0A 136 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.427 36.8-178.9 -63.8 123.8 13.4 11.6 -0.3 55 54 A V E -E 48 0A 12 -7,-3.0 -7,-2.4 -2,-0.2 2,-0.2 -0.995 25.0-126.0-125.8 126.3 10.7 9.0 0.5 56 55 A G E -EF 47 79A 26 23,-0.5 23,-3.8 -2,-0.4 2,-0.7 -0.510 16.2-135.0 -69.6 140.7 7.1 10.1 1.0 57 56 A V E - F 0 78A 25 -11,-3.4 21,-0.2 21,-0.2 3,-0.1 -0.892 20.0-175.5 -97.4 112.2 5.5 8.9 4.3 58 57 A L E S- 0 0 97 19,-2.3 2,-0.3 -2,-0.7 20,-0.2 0.636 70.1 -1.2 -80.9 -17.1 2.0 7.7 3.4 59 58 A D E - F 0 77A 73 18,-0.9 18,-2.5 -13,-0.0 2,-0.4 -0.870 57.6-163.2-174.7 129.0 0.9 7.0 7.0 60 59 A A E - F 0 76A 46 -2,-0.3 2,-0.7 16,-0.2 16,-0.2 -0.981 7.3-163.7-125.6 123.7 2.5 7.3 10.4 61 60 A K E - F 0 75A 83 14,-2.6 14,-2.5 -2,-0.4 2,-0.8 -0.899 8.5-153.7-100.3 106.2 1.0 5.5 13.5 62 61 A E E - F 0 74A 115 -2,-0.7 2,-0.3 12,-0.2 12,-0.2 -0.744 27.3-133.1 -74.9 114.9 2.2 6.8 16.9 63 62 A L E + 0 0 23 10,-2.6 8,-1.8 -2,-0.8 9,-0.5 -0.548 35.2 163.6 -78.8 127.3 1.7 3.6 19.0 64 63 A V E - F 0 70A 82 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.893 33.2-116.3-128.7 161.2 0.0 3.9 22.4 65 64 A D > - 0 0 24 4,-1.8 3,-2.5 -2,-0.3 6,-0.1 -0.225 49.9 -74.8 -86.4-171.9 -1.5 1.1 24.6 66 65 A K T 3 S+ 0 0 202 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.660 135.0 47.9 -66.4 -14.4 -5.2 0.7 25.6 67 66 A D T 3 S- 0 0 133 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.146 121.0-105.6-105.3 18.3 -4.9 3.5 28.1 68 67 A G < + 0 0 48 -3,-2.5 2,-0.3 1,-0.2 -2,-0.1 0.707 66.1 156.8 67.2 20.0 -3.2 5.9 25.6 69 68 A T - 0 0 27 1,-0.1 -4,-1.8 2,-0.0 -1,-0.2 -0.655 49.8-102.1 -84.6 135.4 0.1 5.4 27.3 70 69 A N E -gF 133 64A 14 62,-0.8 64,-2.3 -2,-0.3 -6,-0.2 -0.193 32.0-177.6 -52.1 132.7 3.2 6.2 25.1 71 70 A L E - 0 0 3 -8,-1.8 -7,-0.1 2,-0.2 -1,-0.1 0.409 39.0-130.1-108.5 -2.9 5.0 3.1 23.6 72 71 A E E + 0 0 5 -9,-0.5 -32,-1.6 1,-0.2 2,-0.4 0.717 67.9 117.5 64.4 27.1 7.6 5.5 21.9 73 72 A L E -D 39 0A 0 -10,-0.5 -10,-2.6 -34,-0.3 2,-0.5 -0.971 46.8-163.3-120.2 140.3 7.3 3.8 18.6 74 73 A T E -DF 38 62A 0 -36,-2.9 -36,-2.2 -2,-0.4 2,-0.4 -0.971 10.2-153.3-121.6 113.6 6.1 5.3 15.3 75 74 A L E -DF 37 61A 2 -14,-2.5 -14,-2.6 -2,-0.5 2,-0.4 -0.641 18.0-167.7 -76.2 132.8 5.0 2.8 12.5 76 75 A L E -DF 36 60A 0 -40,-2.7 -40,-2.7 -2,-0.4 2,-0.5 -0.986 19.7-149.7-131.2 139.6 5.4 4.3 9.1 77 76 A K E -DF 35 59A 61 -18,-2.5 -19,-2.3 -2,-0.4 -18,-0.9 -0.910 26.9-142.0 -99.2 126.0 4.3 3.2 5.7 78 77 A L E - F 0 57A 1 -44,-3.5 2,-2.2 -2,-0.5 -21,-0.2 -0.646 14.1-126.9 -94.8 137.7 6.7 4.3 3.0 79 78 A N E S+ F 0 56A 101 -23,-3.8 -23,-0.5 -2,-0.3 2,-0.3 -0.545 71.9 115.0 -76.6 78.7 5.8 5.6 -0.4 80 79 A R - 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