==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-05 2A4O . COMPND 2 MOLECULE: PROBABLE PROTEIN P3C; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HEPATITIS A VIRUS HU/NORTHERN . AUTHOR J.YIN,E.M.BERGMANN,M.M.CHERNEY,M.S.LALL,R.P.JAIN, . 215 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 39.1 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 2 2 2 4 1 0 0 1 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 1 1 0 0 0 0 0 0 0 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 S > 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 164.0 11.1 13.3 48.1 2 2 A T H > + 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 360.0 54.2 -52.5 -42.8 8.2 11.1 47.0 3 3 A L H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 108.3 46.9 -68.2 -36.2 6.2 14.2 46.2 4 4 A E H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 112.8 48.1 -72.6 -42.3 8.8 15.7 43.9 5 5 A I H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 109.9 55.7 -56.3 -45.1 9.4 12.5 42.0 6 6 A A H X S+ 0 0 5 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.891 103.8 53.1 -55.0 -41.6 5.6 12.3 41.8 7 7 A G H X S+ 0 0 21 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.894 108.9 49.1 -63.3 -39.5 5.5 15.7 40.1 8 8 A L H X S+ 0 0 23 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.903 113.4 46.3 -65.0 -42.3 8.0 14.6 37.5 9 9 A V H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.9 0.951 109.4 55.9 -61.1 -49.0 6.0 11.4 36.8 10 10 A R H >< S+ 0 0 146 -4,-3.0 3,-0.8 1,-0.3 -2,-0.2 0.876 104.6 52.1 -50.8 -44.6 2.8 13.5 36.6 11 11 A K H 3< S+ 0 0 145 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.715 113.0 45.3 -70.9 -19.2 4.2 15.8 33.9 12 12 A N H << S+ 0 0 8 -3,-1.3 21,-3.1 -4,-0.8 2,-0.4 0.453 88.1 104.6-103.5 -3.9 5.1 12.8 31.8 13 13 A L E << +A 32 0A 17 -4,-0.9 2,-0.3 -3,-0.8 19,-0.2 -0.650 46.3 178.5 -79.2 129.7 1.9 10.8 32.1 14 14 A V E -A 31 0A 1 17,-2.9 17,-2.6 -2,-0.4 2,-0.4 -0.894 33.0-107.3-123.2 159.1 -0.4 10.8 29.1 15 15 A Q E -AB 30 60A 10 45,-2.2 45,-2.5 -2,-0.3 2,-0.5 -0.751 30.8-147.1 -85.0 133.7 -3.7 9.1 28.5 16 16 A F E +AB 29 59A 0 13,-3.2 12,-2.8 -2,-0.4 13,-1.4 -0.904 23.6 171.9-104.2 126.0 -3.5 6.2 26.0 17 17 A G E -AB 27 58A 0 41,-2.5 41,-2.9 -2,-0.5 2,-0.4 -0.911 19.0-151.3-132.0 159.5 -6.5 5.6 23.8 18 18 A V E +AB 26 57A 21 8,-2.3 8,-2.5 -2,-0.3 2,-0.3 -0.988 21.1 161.7-132.3 137.7 -7.3 3.3 20.8 19 19 A G E - B 0 56A 3 37,-2.5 37,-3.6 -2,-0.4 2,-0.2 -0.990 40.6-107.2-148.1 155.9 -9.8 3.9 18.0 20 20 A E E > - B 0 55A 140 4,-0.4 3,-2.3 -2,-0.3 35,-0.1 -0.585 61.6 -83.6 -69.0 148.4 -10.7 2.8 14.5 21 21 A K T 3 S+ 0 0 140 33,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.346 120.5 10.7 -52.7 133.2 -9.8 5.4 11.9 22 22 A N T 3 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.636 115.4 108.5 66.1 17.4 -12.7 7.9 11.7 23 23 A G S < S- 0 0 35 -3,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.639 78.1 -75.3-118.3 174.0 -14.2 6.3 14.9 24 24 A S - 0 0 121 -2,-0.2 -4,-0.4 -3,-0.1 2,-0.4 -0.439 47.1-120.0 -69.9 141.8 -14.6 7.1 18.6 25 25 A V - 0 0 43 -6,-0.2 2,-0.7 -2,-0.1 -6,-0.2 -0.669 15.4-151.5 -83.1 131.4 -11.6 6.9 20.8 26 26 A R E -A 18 0A 136 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.5 -0.948 14.3-142.7 -98.1 115.4 -11.7 4.5 23.7 27 27 A W E +A 17 0A 66 -2,-0.7 -10,-0.3 -10,-0.2 190,-0.1 -0.693 27.4 172.5 -78.5 125.4 -9.5 5.8 26.5 28 28 A V E - 0 0 14 -12,-2.8 189,-2.5 -2,-0.5 2,-0.2 0.868 44.5 -49.8-106.7 -51.4 -7.8 2.8 28.0 29 29 A M E -A 16 0A 2 -13,-1.4 -13,-3.2 187,-0.2 -1,-0.3 -0.845 64.9 -62.0-167.2-165.6 -5.1 3.7 30.6 30 30 A N E -A 15 0A 0 142,-2.5 2,-0.3 -15,-0.2 -15,-0.2 -0.679 32.4-162.3 -95.1 154.9 -2.0 5.8 31.2 31 31 A A E -A 14 0A 0 -17,-2.6 -17,-2.9 -2,-0.3 2,-0.6 -0.957 14.7-137.8-128.0 156.2 1.3 5.8 29.4 32 32 A L E -AC 13 40A 0 8,-2.6 8,-2.7 -2,-0.3 -19,-0.2 -0.919 6.8-140.8-119.5 112.8 4.5 7.3 30.7 33 33 A G E + C 0 39A 0 -21,-3.1 6,-0.3 -2,-0.6 3,-0.1 -0.490 24.8 172.3 -65.1 137.2 6.9 9.3 28.7 34 34 A V E - 0 0 2 4,-2.9 65,-2.5 1,-0.4 66,-0.8 0.718 58.1 -17.3-116.0 -36.8 10.5 8.5 29.6 35 35 A K E > S- C 0 38A 89 3,-1.3 3,-2.8 63,-0.2 -1,-0.4 -0.906 107.7 -22.5-170.0 143.6 12.9 10.2 27.1 36 36 A D B 3 S-G 96 0B 72 60,-0.9 60,-2.4 -2,-0.3 -1,-0.1 -0.238 126.0 -27.1 51.3-129.2 12.7 11.8 23.7 37 37 A D T 3 S+ 0 0 28 58,-0.2 53,-2.7 -3,-0.1 2,-0.4 0.051 111.0 114.3-105.7 25.7 9.6 10.3 22.0 38 38 A W E < -CD 35 89A 29 -3,-2.8 -4,-2.9 51,-0.2 -3,-1.3 -0.824 40.5-179.1 -99.6 134.6 9.7 7.0 23.9 39 39 A L E -CD 33 88A 1 49,-2.5 49,-2.7 -2,-0.4 2,-0.5 -0.890 25.6-128.4-124.1 156.0 7.0 6.0 26.4 40 40 A L E +CD 32 87A 0 -8,-2.7 -8,-2.6 -2,-0.3 47,-0.2 -0.881 38.2 164.0 -95.4 133.6 6.4 3.0 28.7 41 41 A V E - D 0 86A 1 45,-2.2 45,-2.6 -2,-0.5 2,-0.5 -0.978 44.7-109.3-149.7 139.7 3.0 1.4 28.2 42 42 A P E > - D 0 85A 0 0, 0.0 3,-2.1 0, 0.0 43,-0.3 -0.571 26.2-148.5 -63.1 117.3 1.4 -1.9 29.2 43 43 A S G >> S+ 0 0 3 41,-2.8 4,-2.7 -2,-0.5 3,-2.0 0.715 90.5 78.6 -66.4 -16.3 1.0 -3.7 25.9 44 44 A H G 34 S+ 0 0 7 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.697 76.6 77.9 -63.7 -12.3 -2.1 -5.4 27.2 45 45 A A G <4 S- 0 0 12 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.760 121.2 -5.7 -61.5 -26.2 -3.8 -2.1 26.5 46 46 A Y T X4 S+ 0 0 9 -3,-2.0 3,-1.4 -4,-0.1 -2,-0.2 0.608 109.4 85.2-141.0 -27.2 -3.9 -3.0 22.8 47 47 A K T 3< S+ 0 0 96 -4,-2.7 5,-0.1 1,-0.3 -3,-0.1 0.604 86.9 56.9 -75.4 -11.7 -2.2 -6.3 21.7 48 48 A F T 3 S+ 0 0 62 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.3 0.455 88.4 88.4 -99.9 -0.3 -5.0 -8.7 22.5 49 49 A E S X S- 0 0 55 -3,-1.4 3,-0.8 1,-0.1 2,-0.0 -0.686 89.8 -88.8 -96.0 153.8 -7.7 -7.1 20.2 50 50 A K T 3 S- 0 0 171 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.313 101.6 -2.6 -65.2 136.2 -8.1 -8.0 16.5 51 51 A D T > S+ 0 0 93 1,-0.1 3,-1.7 -4,-0.1 4,-0.3 0.860 72.3 169.6 55.5 45.4 -6.1 -6.0 13.9 52 52 A Y G X S+ 0 0 48 -3,-0.8 3,-2.0 1,-0.3 18,-0.3 0.875 71.6 61.0 -57.1 -37.1 -4.5 -3.7 16.5 53 53 A E G 3 S+ 0 0 110 1,-0.3 18,-0.9 17,-0.1 -1,-0.3 0.693 97.9 57.8 -66.3 -19.0 -2.1 -2.4 13.8 54 54 A M G < S+ 0 0 146 -3,-1.7 -33,-0.5 16,-0.1 -1,-0.3 0.455 94.6 91.1 -87.1 -1.7 -5.0 -1.1 11.7 55 55 A M E < S-B 20 0A 47 -3,-2.0 15,-2.8 -4,-0.3 2,-0.4 -0.452 78.8-118.0 -89.0 164.0 -6.1 1.0 14.7 56 56 A E E -BE 19 69A 35 -37,-3.6 -37,-2.5 13,-0.2 2,-0.4 -0.884 22.9-146.2 -96.6 134.3 -5.2 4.6 15.5 57 57 A F E -BE 18 68A 0 11,-3.3 11,-2.2 -2,-0.4 2,-0.4 -0.843 14.3-158.3 -97.3 140.8 -3.4 5.2 18.8 58 58 A Y E -BE 17 67A 35 -41,-2.9 -41,-2.5 -2,-0.4 2,-0.5 -0.953 9.9-165.1-124.1 142.2 -4.1 8.4 20.7 59 59 A F E -BE 16 66A 0 7,-3.0 7,-2.5 -2,-0.4 2,-0.8 -0.977 7.8-158.5-128.9 111.9 -2.1 10.2 23.3 60 60 A N E -BE 15 65A 27 -45,-2.5 -45,-2.2 -2,-0.5 2,-0.8 -0.846 9.3-175.7 -96.3 112.2 -3.8 12.8 25.3 61 61 A R E > S- E 0 64A 101 3,-3.1 3,-1.5 -2,-0.8 -47,-0.1 -0.837 72.9 -43.5-110.3 89.7 -1.2 15.2 26.8 62 62 A G T 3 S- 0 0 87 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.827 121.1 -40.9 59.7 36.1 -3.1 17.6 29.0 63 63 A G T 3 S+ 0 0 45 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.434 117.1 109.2 89.2 -0.8 -6.0 18.2 26.6 64 64 A T E < -E 61 0A 72 -3,-1.5 -3,-3.1 2,-0.0 2,-0.4 -0.966 61.2-148.5-103.7 123.5 -3.7 18.3 23.5 65 65 A Y E -E 60 0A 134 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.779 15.6-173.2-100.3 131.2 -4.3 15.1 21.5 66 66 A Y E -E 59 0A 56 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.3 -0.977 10.6-175.2-119.5 130.1 -1.7 13.4 19.4 67 67 A S E +E 58 0A 53 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.913 8.8 170.2-126.8 159.3 -2.6 10.4 17.2 68 68 A I E -E 57 0A 13 -11,-2.2 -11,-3.3 -2,-0.3 2,-0.2 -0.978 42.8 -93.3-156.9 149.6 -0.8 8.0 15.0 69 69 A S E > -E 56 0A 35 -2,-0.3 3,-2.3 -13,-0.2 4,-0.3 -0.535 34.9-128.5 -59.7 135.3 -1.5 4.8 13.1 70 70 A A G > S+ 0 0 1 -15,-2.8 3,-1.0 1,-0.3 -16,-0.1 0.783 109.9 63.8 -56.9 -29.5 -0.6 1.8 15.4 71 71 A G G 3 S+ 0 0 46 -18,-0.9 -1,-0.3 -16,-0.4 -18,-0.1 0.607 99.8 55.1 -70.1 -9.6 1.5 0.5 12.4 72 72 A N G < S+ 0 0 104 -3,-2.3 2,-0.3 -19,-0.1 -1,-0.2 0.364 85.6 91.0-108.5 1.5 3.7 3.6 12.8 73 73 A V S < S- 0 0 13 -3,-1.0 2,-0.6 -4,-0.3 17,-0.2 -0.779 73.2-133.2 -90.4 148.1 4.7 3.3 16.5 74 74 A V E -F 89 0A 79 15,-1.9 15,-2.8 -2,-0.3 2,-0.4 -0.896 18.4-157.3-107.1 117.0 7.9 1.4 17.2 75 75 A I E -F 88 0A 59 -2,-0.6 2,-0.4 13,-0.2 13,-0.2 -0.805 10.6-176.6 -99.8 128.7 7.6 -1.2 20.0 76 76 A Q E -F 87 0A 62 11,-3.0 11,-2.9 -2,-0.4 2,-0.1 -0.983 22.7-126.1-124.4 133.2 10.8 -2.4 21.9 77 77 A S E -F 86 0A 58 -2,-0.4 9,-0.1 9,-0.2 3,-0.1 -0.424 5.5-140.6 -75.9 155.4 10.7 -5.1 24.6 78 78 A L S S- 0 0 3 7,-0.5 2,-0.3 1,-0.2 133,-0.1 0.696 81.8 -21.8 -81.1 -26.6 12.2 -4.5 28.1 79 79 A D S S- 0 0 74 2,-0.3 -1,-0.2 132,-0.0 4,-0.2 -0.938 91.9 -58.6-168.5 174.8 13.7 -8.0 28.2 80 80 A V S S+ 0 0 121 -2,-0.3 -2,-0.0 -3,-0.1 2,-0.0 -0.371 100.6 21.7 -67.8 149.7 13.2 -11.4 26.6 81 81 A G S S- 0 0 63 -2,-0.1 2,-0.6 76,-0.0 -2,-0.3 -0.165 112.1 -36.6 83.5-178.6 9.8 -13.0 27.0 82 82 A F + 0 0 57 1,-0.2 76,-0.4 74,-0.1 3,-0.1 -0.689 56.3 159.1 -84.7 121.2 6.5 -11.4 27.8 83 83 A Q - 0 0 11 -2,-0.6 2,-2.5 74,-0.2 -1,-0.2 0.384 38.3-143.3-118.0 0.5 6.9 -8.5 30.2 84 84 A D S S+ 0 0 1 72,-0.1 -41,-2.8 -42,-0.1 2,-0.1 -0.446 78.4 83.0 68.0 -68.7 3.6 -6.7 29.3 85 85 A V E -D 42 0A 2 -2,-2.5 -7,-0.5 -43,-0.3 2,-0.3 -0.423 65.1-179.7 -63.9 133.5 5.1 -3.2 29.6 86 86 A V E -DF 41 77A 17 -45,-2.6 -45,-2.2 -9,-0.1 2,-0.4 -0.864 32.4-111.5-126.4 165.4 6.9 -2.2 26.4 87 87 A L E -DF 40 76A 0 -11,-2.9 -11,-3.0 -2,-0.3 2,-0.4 -0.840 36.5-167.9 -92.1 134.8 8.9 0.8 25.2 88 88 A M E -DF 39 75A 0 -49,-2.7 -49,-2.5 -2,-0.4 2,-0.5 -0.983 13.3-150.9-135.1 121.3 6.9 2.6 22.4 89 89 A K E -DF 38 74A 65 -15,-2.8 -15,-1.9 -2,-0.4 -51,-0.2 -0.804 12.5-172.1 -93.5 124.3 8.4 5.3 20.1 90 90 A V > - 0 0 0 -53,-2.7 3,-2.0 -2,-0.5 -17,-0.1 -0.893 8.7-165.6-121.5 96.8 5.7 7.7 18.9 91 91 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.734 86.2 54.9 -59.1 -22.3 7.1 10.1 16.3 92 92 A T T 3 S+ 0 0 67 -55,-0.1 -25,-0.1 2,-0.1 -24,-0.0 0.506 87.2 98.5 -88.1 -7.6 4.2 12.5 16.5 93 93 A I S < S- 0 0 11 -3,-2.0 2,-0.1 -56,-0.2 3,-0.1 -0.563 82.1-108.5 -84.2 141.9 4.5 13.1 20.3 94 94 A P - 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