==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-05 2CXV . 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, . 213 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 74.6 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 . 83 39.0 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 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 5.2 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 3 3 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 81 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.5 11.5 13.3 47.6 2 2 A T H > + 0 0 34 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.923 360.0 54.2 -52.9 -46.3 8.6 11.0 46.6 3 3 A L H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 107.4 48.2 -63.3 -37.3 6.6 14.1 45.8 4 4 A E H > S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 113.1 47.2 -73.2 -37.8 9.2 15.6 43.5 5 5 A I H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 110.0 55.1 -62.5 -43.9 9.6 12.4 41.6 6 6 A A H X S+ 0 0 5 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.881 104.7 53.6 -55.8 -40.6 5.8 12.2 41.4 7 7 A G H X S+ 0 0 36 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.894 108.5 48.6 -61.3 -41.9 5.8 15.6 39.8 8 8 A L H X S+ 0 0 30 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.900 113.3 47.3 -65.9 -40.8 8.3 14.5 37.1 9 9 A V H >X S+ 0 0 0 -4,-2.5 3,-1.1 2,-0.2 4,-0.8 0.956 109.7 53.5 -62.3 -51.0 6.1 11.4 36.5 10 10 A R H >< S+ 0 0 159 -4,-3.1 3,-0.9 1,-0.3 -2,-0.2 0.879 106.0 52.7 -51.8 -45.3 2.9 13.5 36.3 11 11 A K H 3< S+ 0 0 135 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.750 113.4 44.8 -65.1 -25.2 4.4 15.8 33.7 12 12 A N H << S+ 0 0 5 -3,-1.1 21,-2.9 -4,-0.9 2,-0.4 0.449 88.7 104.1 -99.5 -3.7 5.3 12.8 31.5 13 13 A L E << +A 32 0A 18 -3,-0.9 2,-0.3 -4,-0.8 19,-0.2 -0.676 45.7 177.6 -82.4 130.0 2.1 10.9 31.8 14 14 A V E -A 31 0A 1 17,-2.8 17,-2.5 -2,-0.4 2,-0.4 -0.874 33.1-106.0-122.7 160.1 -0.3 11.0 28.8 15 15 A Q E -AB 30 60A 8 45,-2.1 45,-2.6 -2,-0.3 2,-0.5 -0.751 30.4-146.5 -86.9 135.3 -3.6 9.3 28.2 16 16 A F E +AB 29 59A 0 13,-3.2 12,-2.6 -2,-0.4 13,-1.4 -0.910 22.9 173.7-105.9 124.8 -3.4 6.4 25.8 17 17 A G E -AB 27 58A 0 41,-2.6 41,-2.9 -2,-0.5 2,-0.4 -0.889 17.5-155.1-129.4 159.8 -6.5 5.7 23.5 18 18 A V E +AB 26 57A 20 8,-2.3 8,-2.8 -2,-0.3 2,-0.3 -0.995 21.5 155.6-135.0 137.5 -7.4 3.5 20.6 19 19 A G E - B 0 56A 3 37,-2.0 37,-3.4 -2,-0.4 6,-0.1 -0.989 41.9-102.0-155.0 159.1 -9.9 3.9 17.9 20 20 A E > - 0 0 137 4,-0.4 3,-2.4 -2,-0.3 35,-0.1 -0.479 61.1 -80.3 -72.7 153.6 -10.8 2.9 14.4 21 21 A K T 3 S+ 0 0 112 33,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.367 121.5 7.8 -54.6 133.2 -10.1 5.4 11.7 22 22 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.618 115.1 113.3 63.8 16.7 -12.9 8.0 11.7 23 23 A G S < S- 0 0 32 -3,-2.4 -1,-0.2 1,-0.1 2,-0.2 -0.536 76.1 -78.6-110.9 176.2 -14.3 6.4 14.9 24 24 A S - 0 0 119 -2,-0.2 -4,-0.4 -3,-0.1 2,-0.4 -0.517 48.1-116.9 -74.4 141.9 -14.7 7.3 18.5 25 25 A V - 0 0 45 -2,-0.2 2,-0.7 -6,-0.1 -6,-0.2 -0.661 16.7-150.7 -83.4 129.7 -11.6 7.1 20.7 26 26 A R E -A 18 0A 139 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.6 -0.907 12.6-146.1 -96.8 112.7 -11.6 4.6 23.6 27 27 A W E +A 17 0A 76 -2,-0.7 -10,-0.3 -10,-0.2 3,-0.1 -0.716 26.2 170.8 -81.4 120.7 -9.4 6.0 26.3 28 28 A V E - 0 0 42 -12,-2.6 2,-0.2 -2,-0.6 144,-0.2 0.887 45.1 -52.5-102.6 -52.5 -7.7 3.0 27.9 29 29 A M E -A 16 0A 9 -13,-1.4 -13,-3.2 142,-0.1 -1,-0.3 -0.843 64.6 -55.7-166.5-163.4 -5.0 3.9 30.4 30 30 A N E -A 15 0A 0 142,-2.6 2,-0.3 140,-0.3 -15,-0.2 -0.644 31.6-163.5 -94.9 153.9 -1.8 5.9 30.9 31 31 A A E -A 14 0A 0 -17,-2.5 -17,-2.8 -2,-0.2 2,-0.6 -0.963 15.6-139.0-128.0 151.5 1.5 5.9 29.0 32 32 A L E -AC 13 40A 0 8,-2.6 8,-2.8 -2,-0.3 -19,-0.2 -0.931 7.0-140.6-117.9 113.6 4.7 7.4 30.4 33 33 A G E + C 0 39A 0 -21,-2.9 6,-0.3 -2,-0.6 3,-0.1 -0.486 25.7 171.6 -64.6 135.5 7.0 9.4 28.3 34 34 A V E - 0 0 2 4,-2.9 65,-2.5 1,-0.4 66,-0.8 0.721 57.9 -15.6-116.4 -34.3 10.6 8.5 29.2 35 35 A K E > S- C 0 38A 91 3,-1.2 3,-2.9 63,-0.2 -1,-0.4 -0.915 107.5 -24.9-172.6 141.6 13.0 10.2 26.7 36 36 A D B 3 S-G 96 0B 74 60,-0.8 60,-2.5 -2,-0.3 -1,-0.0 -0.201 126.2 -25.3 49.7-126.6 12.7 11.8 23.3 37 37 A D T 3 S+ 0 0 29 58,-0.2 53,-2.7 -4,-0.1 2,-0.4 0.040 111.6 114.5-104.0 26.0 9.6 10.3 21.5 38 38 A W E < -CD 35 89A 27 -3,-2.9 -4,-2.9 51,-0.2 -3,-1.2 -0.823 40.1-179.9-102.3 134.2 9.7 7.1 23.5 39 39 A L E -CD 33 88A 0 49,-2.6 49,-2.7 -2,-0.4 2,-0.4 -0.909 25.9-129.1-125.6 154.5 7.0 6.0 26.0 40 40 A L E +CD 32 87A 0 -8,-2.8 -8,-2.6 -2,-0.3 47,-0.2 -0.882 37.9 163.4 -94.6 135.2 6.4 3.1 28.3 41 41 A V E - D 0 86A 0 45,-2.0 45,-2.5 -2,-0.4 2,-0.5 -0.970 44.7-109.2-151.6 137.2 3.0 1.5 27.9 42 42 A P E > - D 0 85A 0 0, 0.0 3,-2.0 0, 0.0 43,-0.3 -0.578 25.2-148.6 -62.1 117.6 1.4 -1.8 28.9 43 43 A S G >> S+ 0 0 3 41,-2.5 4,-2.8 -2,-0.5 3,-1.9 0.682 90.7 79.4 -65.8 -16.3 0.9 -3.6 25.6 44 44 A H G 34 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.663 76.6 77.1 -64.5 -11.9 -2.1 -5.3 27.1 45 45 A A G <4 S- 0 0 11 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.791 121.2 -4.8 -61.8 -28.9 -3.8 -1.9 26.3 46 46 A Y T X4 S+ 0 0 9 -3,-1.9 3,-1.4 -4,-0.2 -2,-0.2 0.627 109.0 84.2-137.9 -30.5 -4.0 -2.9 22.6 47 47 A K T 3< S+ 0 0 96 -4,-2.8 -3,-0.1 1,-0.3 5,-0.1 0.623 89.5 54.0 -73.1 -11.9 -2.4 -6.2 21.6 48 48 A F T 3 S+ 0 0 62 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.478 90.7 87.9-101.3 -2.2 -5.2 -8.6 22.4 49 49 A E S X S- 0 0 52 -3,-1.4 3,-0.7 1,-0.1 2,-0.1 -0.617 91.2 -87.0 -91.9 157.3 -7.9 -6.9 20.4 50 50 A K T 3 S- 0 0 167 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.358 100.3 -3.6 -69.1 138.5 -8.5 -7.7 16.7 51 51 A D T > S+ 0 0 94 1,-0.1 3,-1.3 -4,-0.1 4,-0.3 0.857 71.4 169.6 51.5 49.9 -6.5 -5.9 14.0 52 52 A Y G X S+ 0 0 50 -3,-0.7 3,-2.0 1,-0.3 18,-0.3 0.883 71.2 59.9 -59.2 -39.4 -4.6 -3.5 16.4 53 53 A E G 3 S+ 0 0 111 1,-0.3 18,-0.9 17,-0.1 -1,-0.3 0.677 99.9 56.5 -66.4 -17.6 -2.3 -2.3 13.6 54 54 A M G < S+ 0 0 151 -3,-1.3 -33,-0.5 16,-0.1 -1,-0.3 0.452 95.2 91.0 -90.9 -1.2 -5.2 -1.0 11.6 55 55 A M S < S- 0 0 42 -3,-2.0 15,-2.7 -4,-0.3 2,-0.4 -0.399 79.3-116.1 -87.2 165.6 -6.3 1.2 14.6 56 56 A E E -BE 19 69A 26 -37,-3.4 -37,-2.0 13,-0.2 2,-0.4 -0.885 23.4-145.0 -98.6 134.4 -5.3 4.7 15.4 57 57 A F E -BE 18 68A 0 11,-3.5 11,-2.0 -2,-0.4 2,-0.4 -0.849 15.0-158.0 -98.3 138.2 -3.4 5.3 18.6 58 58 A Y E -BE 17 67A 32 -41,-2.9 -41,-2.6 -2,-0.4 2,-0.5 -0.948 10.2-166.6-121.8 138.8 -4.1 8.5 20.5 59 59 A F E -BE 16 66A 0 7,-2.1 7,-2.0 -2,-0.4 2,-0.8 -0.977 7.7-159.1-126.9 114.2 -2.0 10.3 23.0 60 60 A N E -BE 15 65A 22 -45,-2.6 -45,-2.1 -2,-0.5 2,-0.9 -0.854 7.1-173.7 -97.8 109.3 -3.6 13.0 25.1 61 61 A R E > S- E 0 64A 92 3,-3.1 3,-1.4 -2,-0.8 -47,-0.1 -0.823 73.5 -47.2-104.6 91.0 -1.1 15.4 26.5 62 62 A G T 3 S- 0 0 84 -2,-0.9 -1,-0.1 1,-0.3 3,-0.1 0.817 121.2 -37.6 53.5 38.8 -3.0 17.7 28.9 63 63 A G T 3 S+ 0 0 44 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.427 117.8 107.4 94.5 -1.5 -5.8 18.3 26.3 64 64 A T E < -E 61 0A 74 -3,-1.4 -3,-3.1 2,-0.0 2,-0.3 -0.961 61.9-144.6-107.4 127.8 -3.6 18.4 23.3 65 65 A Y E -E 60 0A 131 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.727 18.7-173.6-105.1 140.4 -4.0 15.3 21.1 66 66 A Y E -E 59 0A 60 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.3 -0.966 12.8-176.3-132.6 112.3 -1.5 13.4 19.1 67 67 A S E +E 58 0A 55 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.746 7.1 166.2-110.8 158.4 -2.7 10.6 16.9 68 68 A I E -E 57 0A 15 -11,-2.0 -11,-3.5 -2,-0.3 2,-0.1 -0.959 43.1 -92.3-164.5 147.6 -0.9 8.1 14.7 69 69 A S E > -E 56 0A 35 -2,-0.3 3,-2.3 -13,-0.2 4,-0.3 -0.462 34.2-128.4 -61.6 136.0 -1.6 4.8 12.9 70 70 A A G > S+ 0 0 1 -15,-2.7 3,-1.1 1,-0.3 -16,-0.1 0.814 110.7 62.7 -55.9 -30.4 -0.7 1.9 15.2 71 71 A G G 3 S+ 0 0 45 -18,-0.9 -1,-0.3 -16,-0.4 -18,-0.1 0.604 99.5 55.8 -69.2 -11.6 1.4 0.6 12.2 72 72 A N G < S+ 0 0 106 -3,-2.3 2,-0.4 -19,-0.1 -1,-0.2 0.343 86.2 89.1-107.9 3.8 3.6 3.7 12.5 73 73 A V S < S- 0 0 12 -3,-1.1 2,-0.7 -4,-0.3 17,-0.2 -0.806 74.3-132.8 -94.9 144.8 4.6 3.4 16.2 74 74 A V E -F 89 0A 77 15,-1.8 15,-2.5 -2,-0.4 2,-0.5 -0.891 19.0-157.9-103.6 115.5 7.8 1.4 16.8 75 75 A I E -F 88 0A 57 -2,-0.7 2,-0.4 13,-0.2 13,-0.2 -0.808 10.7-176.0 -98.8 125.9 7.4 -1.1 19.6 76 76 A Q E -F 87 0A 51 11,-3.1 11,-3.1 -2,-0.5 2,-0.1 -0.975 22.2-123.3-123.5 135.6 10.5 -2.4 21.5 77 77 A S E -F 86 0A 60 -2,-0.4 9,-0.1 9,-0.2 3,-0.1 -0.396 6.1-141.2 -73.4 150.5 10.6 -5.1 24.2 78 78 A L S S- 0 0 3 7,-0.5 2,-0.3 1,-0.2 133,-0.1 0.765 81.2 -24.9 -77.5 -28.9 12.1 -4.4 27.6 79 79 A D S S- 0 0 75 2,-0.3 -1,-0.2 132,-0.0 4,-0.1 -0.923 94.1 -48.5-166.4 178.7 13.7 -7.9 27.7 80 80 A V S S+ 0 0 117 -2,-0.3 -2,-0.0 -3,-0.1 2,-0.0 -0.344 103.3 12.3 -62.2 145.3 13.3 -11.4 26.2 81 81 A G S S- 0 0 59 76,-0.0 2,-0.5 2,-0.0 -2,-0.3 -0.172 111.0 -34.7 79.4-174.7 9.8 -12.8 26.4 82 82 A F + 0 0 63 1,-0.1 76,-0.3 74,-0.1 3,-0.1 -0.718 53.2 160.4 -87.7 123.9 6.5 -11.1 27.2 83 83 A Q - 0 0 9 -2,-0.5 2,-2.4 2,-0.2 -1,-0.1 0.312 40.3-138.8-121.6 5.0 6.8 -8.3 29.8 84 84 A D S S+ 0 0 1 72,-0.1 -41,-2.5 -42,-0.1 -1,-0.1 -0.472 81.8 83.0 68.0 -73.0 3.5 -6.5 29.0 85 85 A V E +D 42 0A 1 -2,-2.4 -7,-0.5 -43,-0.3 2,-0.3 -0.371 65.0 179.0 -58.7 131.5 5.1 -3.1 29.3 86 86 A V E -DF 41 77A 14 -45,-2.5 -45,-2.0 -9,-0.1 2,-0.4 -0.871 32.8-110.6-127.7 163.8 6.9 -2.1 26.1 87 87 A L E -DF 40 76A 0 -11,-3.1 -11,-3.1 -2,-0.3 2,-0.4 -0.830 36.4-167.5 -90.2 137.3 8.8 0.9 24.8 88 88 A M E -DF 39 75A 0 -49,-2.7 -49,-2.6 -2,-0.4 2,-0.5 -0.988 13.2-151.0-135.0 122.8 6.9 2.7 22.1 89 89 A K E -DF 38 74A 64 -15,-2.5 -15,-1.8 -2,-0.4 -51,-0.2 -0.833 12.0-173.4 -93.6 123.4 8.3 5.3 19.7 90 90 A V > - 0 0 0 -53,-2.7 3,-2.0 -2,-0.5 -17,-0.1 -0.893 9.5-162.9-121.1 96.6 5.6 7.8 18.6 91 91 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.738 87.2 53.8 -52.0 -28.7 7.1 10.2 15.9 92 92 A T T 3 S+ 0 0 69 -55,-0.1 -25,-0.1 2,-0.1 -24,-0.0 0.516 85.6 101.8 -88.1 -7.5 4.3 12.8 16.3 93 93 A I S < S- 0 0 11 -3,-2.0 3,-0.1 -56,-0.2 2,-0.1 -0.541 80.8-107.3 -79.5 140.5 4.6 13.2 20.1 94 94 A P - 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