==== 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 11-OCT-08 2ZTZ . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS B3; . AUTHOR C.C.LEE,A.H.-J.WANG . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 42 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 6.1 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 3 2 4 5 3 10 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 17 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.4 7.4 -14.1 16.6 2 2 A P H > + 0 0 76 0, 0.0 4,-2.3 0, 0.0 153,-0.3 0.869 360.0 55.9 -64.1 -36.7 7.0 -15.3 13.0 3 3 A A H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 98,-0.1 0.890 109.9 48.1 -63.0 -36.0 5.3 -12.1 12.0 4 4 A F H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.907 109.8 49.1 -68.7 -48.1 8.4 -10.2 13.3 5 5 A E H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.920 114.7 47.1 -58.5 -44.1 11.0 -12.3 11.6 6 6 A F H X S+ 0 0 34 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.962 112.1 50.4 -64.0 -47.2 9.0 -11.9 8.4 7 7 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.925 109.2 49.5 -56.5 -50.3 8.7 -8.2 8.9 8 8 A V H X S+ 0 0 26 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.933 113.5 45.8 -58.4 -45.0 12.3 -7.6 9.5 9 9 A A H X S+ 0 0 58 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.895 113.6 50.4 -64.4 -39.6 13.4 -9.5 6.4 10 10 A M H X S+ 0 0 3 -4,-2.6 4,-3.1 -5,-0.2 5,-0.4 0.941 111.1 47.4 -66.1 -46.7 10.8 -7.8 4.3 11 11 A M H X S+ 0 0 9 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.889 111.6 50.8 -62.4 -38.2 11.8 -4.3 5.4 12 12 A K H < S+ 0 0 160 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.897 119.2 37.5 -68.8 -31.8 15.5 -5.0 4.9 13 13 A R H < S+ 0 0 138 -4,-2.0 71,-0.4 -5,-0.2 -2,-0.2 0.851 131.9 16.9 -86.8 -36.7 14.8 -6.3 1.4 14 14 A N H < S+ 0 0 4 -4,-3.1 15,-3.3 -5,-0.2 2,-0.2 0.515 99.4 87.9-120.5 -3.7 12.1 -4.1 0.0 15 15 A S E < +A 28 0A 25 -4,-1.5 2,-0.3 -5,-0.4 13,-0.2 -0.597 38.4 169.9-103.1 162.0 11.7 -0.9 2.0 16 16 A S E -A 27 0A 4 11,-2.0 11,-2.4 -2,-0.2 2,-0.5 -0.903 36.2-104.9-151.1 174.9 13.3 2.5 2.0 17 17 A T E -A 26 0A 25 -2,-0.3 33,-2.8 9,-0.2 34,-0.4 -0.944 39.6-169.5-109.0 124.0 12.8 6.0 3.5 18 18 A V E -AB 25 49A 0 7,-3.3 7,-3.6 -2,-0.5 2,-0.4 -0.913 14.7-163.9-122.0 143.3 11.2 8.6 1.2 19 19 A K E +AB 24 48A 101 29,-2.6 29,-2.3 -2,-0.4 2,-0.2 -0.988 11.5 175.0-121.2 132.6 10.8 12.3 1.5 20 20 A T E > -A 23 0A 14 3,-2.7 3,-1.2 -2,-0.4 27,-0.1 -0.676 55.1 -90.7-116.4-178.4 8.4 14.2 -0.8 21 21 A E T 3 S+ 0 0 136 -2,-0.2 3,-0.1 21,-0.2 21,-0.1 0.722 127.4 54.9 -67.7 -15.0 7.6 17.9 -0.5 22 22 A Y T 3 S- 0 0 153 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.499 119.9 -58.0 -98.5 -3.4 4.8 16.8 1.8 23 23 A G E < -A 20 0A 27 -3,-1.2 -3,-2.7 18,-0.1 2,-0.5 -0.936 57.6 -67.1 155.0-177.1 6.6 14.7 4.4 24 24 A E E -A 19 0A 48 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.930 51.5-179.1-111.7 128.4 8.8 11.7 5.2 25 25 A F E -A 18 0A 13 -7,-3.6 -7,-3.3 -2,-0.5 2,-0.3 -0.896 34.0-117.9-129.7 157.1 7.4 8.3 4.6 26 26 A T E -A 17 0A 0 121,-1.4 2,-0.4 -2,-0.3 -9,-0.2 -0.679 41.0-160.4 -80.8 143.3 8.2 4.6 4.9 27 27 A M E -A 16 0A 0 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.5 -0.974 12.0-154.1-138.1 128.9 8.1 3.1 1.3 28 28 A L E -AC 15 36A 0 8,-0.8 8,-1.5 -2,-0.4 2,-0.4 -0.839 10.3-145.0-102.0 123.1 7.7 -0.4 0.1 29 29 A G E - C 0 35A 0 -15,-3.3 6,-0.3 -2,-0.5 3,-0.1 -0.720 15.8-175.7 -83.8 135.3 9.0 -1.6 -3.3 30 30 A I E - 0 0 0 4,-2.6 56,-2.8 -2,-0.4 57,-0.4 0.866 54.7 -35.7 -99.4 -51.5 6.7 -4.2 -4.9 31 31 A Y E > S- C 0 34A 22 3,-1.2 3,-2.6 54,-0.2 -1,-0.4 -0.937 107.2 -5.8-170.2 156.8 8.4 -5.4 -8.2 32 32 A D B 3 S-D 83 0B 60 51,-0.8 51,-2.5 -2,-0.3 44,-0.0 -0.271 127.4 -34.8 48.8-125.8 10.5 -4.0 -11.0 33 33 A R T 3 S+ 0 0 84 49,-0.2 44,-3.2 -4,-0.0 2,-0.5 0.024 108.1 117.4-113.1 27.2 10.6 -0.2 -10.3 34 34 A W E < +CD 31 76A 19 -3,-2.6 -4,-2.6 42,-0.2 -3,-1.2 -0.853 34.1 163.7 -97.6 130.1 7.1 0.1 -8.9 35 35 A A E -CD 29 75A 0 40,-2.3 40,-2.4 -2,-0.5 2,-0.4 -0.765 24.7-127.5-132.0 177.3 6.6 1.2 -5.3 36 36 A V E +CD 28 74A 1 -8,-1.5 -8,-0.8 -2,-0.2 38,-0.2 -0.981 20.7 173.6-138.8 143.8 3.8 2.5 -3.2 37 37 A L E - D 0 73A 0 36,-2.2 36,-2.8 -2,-0.4 2,-0.1 -0.918 46.2 -85.6-137.9 163.7 3.1 5.4 -0.9 38 38 A P E > - D 0 72A 0 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.473 46.1-117.6 -66.7 144.6 -0.0 6.7 0.9 39 39 A R G > S+ 0 0 65 32,-1.9 3,-1.9 1,-0.3 33,-0.2 0.859 113.4 62.9 -55.6 -35.8 -1.9 8.9 -1.5 40 40 A H G 3 S+ 0 0 59 31,-0.3 -1,-0.3 1,-0.3 32,-0.1 0.570 81.5 78.1 -70.1 -5.8 -1.4 11.9 0.7 41 41 A A G < S- 0 0 0 -3,-2.5 -19,-0.6 -20,-0.0 -1,-0.3 0.812 82.2-165.8 -66.8 -26.9 2.4 11.6 0.2 42 42 A K < - 0 0 99 -3,-1.9 -21,-0.2 -4,-0.4 -2,-0.1 0.891 9.9-146.6 44.3 59.1 1.6 13.3 -3.2 43 43 A P - 0 0 26 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.106 10.4-152.0 -55.3 151.1 4.9 12.6 -4.9 44 44 A G - 0 0 19 2,-0.6 12,-0.1 0, 0.0 -2,-0.0 -0.226 47.4 -65.8-103.4-162.3 6.2 15.1 -7.4 45 45 A P S S+ 0 0 107 0, 0.0 11,-2.9 0, 0.0 2,-0.3 0.750 123.8 24.6 -65.4 -19.3 8.5 14.6 -10.4 46 46 A T E - E 0 55A 55 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.988 68.9-169.3-138.6 151.2 11.3 13.6 -8.1 47 47 A I E - E 0 54A 4 7,-2.7 7,-2.7 -2,-0.3 2,-0.6 -0.803 28.3-113.7-127.7 173.4 11.4 12.2 -4.6 48 48 A L E -BE 19 53A 67 -29,-2.3 -29,-2.6 -2,-0.3 2,-0.5 -0.973 33.0-174.2-110.6 122.3 14.2 11.7 -2.2 49 49 A M E > S-BE 18 52A 6 3,-3.0 3,-2.2 -2,-0.6 -31,-0.2 -0.970 73.8 -15.5-120.0 120.7 14.8 8.0 -1.6 50 50 A N T 3 S- 0 0 86 -33,-2.8 -1,-0.2 -2,-0.5 -32,-0.1 0.948 130.8 -55.2 48.4 48.3 17.4 7.0 1.1 51 51 A D T 3 S+ 0 0 144 -34,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.513 118.8 111.0 64.7 10.6 18.5 10.6 0.9 52 52 A Q E < S-E 49 0A 136 -3,-2.2 -3,-3.0 2,-0.0 2,-0.2 -0.944 73.7-109.9-118.9 137.3 19.1 10.5 -2.8 53 53 A E E -E 48 0A 138 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.409 38.0-179.8 -66.1 128.2 17.1 12.2 -5.6 54 54 A V E -E 47 0A 12 -7,-2.7 -7,-2.7 -2,-0.2 25,-0.1 -0.991 23.6-127.6-132.0 125.1 15.2 9.7 -7.7 55 55 A G E -E 46 0A 22 -2,-0.4 23,-2.8 23,-0.4 2,-0.6 -0.389 13.9-137.4 -70.7 148.5 13.0 10.7 -10.6 56 56 A V E -F 77 0A 24 -11,-2.9 21,-0.2 21,-0.2 3,-0.1 -0.942 17.9-175.8-107.8 112.2 9.4 9.6 -10.7 57 57 A L E - 0 0 109 19,-2.6 2,-0.3 -2,-0.6 20,-0.2 0.715 69.5 -4.6 -82.1 -22.8 8.5 8.4 -14.3 58 58 A D E -F 76 0A 83 18,-0.9 18,-3.0 2,-0.0 2,-0.3 -0.960 59.6-169.0-166.8 151.1 4.9 7.7 -13.6 59 59 A A E -F 75 0A 46 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.989 4.4-162.3-147.8 143.9 2.4 7.7 -10.7 60 60 A K E -F 74 0A 94 14,-2.5 14,-2.8 -2,-0.3 2,-0.7 -0.969 11.9-148.9-134.0 118.1 -1.1 6.5 -10.3 61 61 A E E -F 73 0A 106 -2,-0.4 2,-0.3 12,-0.3 12,-0.3 -0.783 32.8-128.7 -82.9 115.9 -3.5 7.5 -7.5 62 62 A L E + 0 0 24 10,-3.0 8,-1.9 -2,-0.7 10,-0.5 -0.529 37.6 162.5 -76.3 130.2 -5.6 4.4 -7.0 63 63 A V E -F 69 0A 65 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.908 35.6-111.4-133.5 159.1 -9.5 4.7 -7.0 64 64 A D > - 0 0 24 4,-2.2 3,-2.7 -2,-0.3 6,-0.0 -0.214 48.9 -74.5 -87.1-176.3 -11.9 1.8 -7.5 65 65 A K T 3 S+ 0 0 186 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.662 134.5 46.8 -50.5 -21.3 -14.3 1.1 -10.5 66 66 A D T 3 S- 0 0 130 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.131 122.5 -99.8-111.4 25.6 -16.5 3.9 -9.2 67 67 A G < + 0 0 53 -3,-2.7 2,-0.3 1,-0.2 -2,-0.1 0.456 69.8 152.9 75.1 -0.9 -13.8 6.6 -8.6 68 68 A T - 0 0 29 1,-0.1 -4,-2.2 -5,-0.1 -1,-0.2 -0.480 50.6-108.2 -69.4 127.0 -13.7 5.9 -4.8 69 69 A N E -gF 132 63A 7 62,-0.8 64,-2.0 -2,-0.3 -6,-0.2 -0.196 29.1-174.8 -48.9 138.9 -10.4 6.8 -3.2 70 70 A L E - 0 0 3 -8,-1.9 -7,-0.2 2,-0.2 -1,-0.1 0.300 39.1-127.7-117.2 -4.2 -8.2 3.8 -2.1 71 71 A E E S+ 0 0 20 -9,-0.4 -32,-1.9 1,-0.2 2,-0.3 0.716 70.0 112.6 63.6 28.8 -5.6 6.2 -0.5 72 72 A L E -D 38 0A 0 -10,-0.5 -10,-3.0 -34,-0.3 2,-0.4 -0.975 47.6-162.2-131.9 141.0 -2.7 4.7 -2.4 73 73 A T E -DF 37 61A 3 -36,-2.8 -36,-2.2 -2,-0.3 2,-0.4 -0.991 10.4-152.1-125.3 123.2 -0.4 6.1 -5.0 74 74 A L E -DF 36 60A 3 -14,-2.8 -14,-2.5 -2,-0.4 2,-0.4 -0.754 15.8-166.9 -90.9 137.7 1.8 3.8 -7.1 75 75 A L E -DF 35 59A 0 -40,-2.4 -40,-2.3 -2,-0.4 2,-0.6 -0.990 16.8-146.8-132.6 141.1 5.0 5.2 -8.5 76 76 A K E -DF 34 58A 78 -18,-3.0 -19,-2.6 -2,-0.4 -18,-0.9 -0.912 26.3-145.4-102.6 117.7 7.4 4.0 -11.1 77 77 A L E - F 0 56A 2 -44,-3.2 2,-1.7 -2,-0.6 -21,-0.2 -0.564 17.3-125.6 -91.9 150.0 11.0 5.0 -10.3 78 78 A N + 0 0 103 -23,-2.8 -23,-0.4 -2,-0.2 2,-0.3 -0.684 68.3 130.4 -86.3 87.7 13.8 6.0 -12.6 79 79 A R - 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