==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUN-08 3DFK . COMPND 2 MOLECULE: TEICOPLANIN PSEUDOAGLYCONE DEACETYLASE ORF2; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOPLANES TEICHOMYCETICUS; . AUTHOR Y.ZOU,J.S.BRUNZELLE,S.K.NAIR . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.8 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 . 1 0.4 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-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 . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 1 0 1 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 0 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 8 A T 0 0 118 0, 0.0 29,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 131.7 19.9 8.1 27.1 2 9 A R E -a 30 0A 87 27,-0.2 141,-2.6 2,-0.0 142,-1.6 -0.949 360.0-167.6-126.8 106.1 21.8 11.3 26.7 3 10 A L E -ab 31 144A 9 27,-2.7 29,-2.5 -2,-0.5 2,-0.6 -0.867 6.2-169.4-104.6 119.7 23.8 11.3 23.5 4 11 A L E -ab 32 145A 0 140,-2.6 142,-2.4 -2,-0.6 2,-0.5 -0.935 4.3-167.3-109.5 116.5 26.4 13.9 22.8 5 12 A A E -ab 33 146A 0 27,-2.7 29,-3.1 -2,-0.6 2,-0.6 -0.885 6.5-155.5-103.0 135.6 27.8 13.9 19.3 6 13 A I E -ab 34 147A 0 140,-2.7 142,-0.5 -2,-0.5 29,-0.2 -0.930 11.4-169.3-115.8 106.9 30.9 16.0 18.8 7 14 A S E -a 35 0A 1 27,-3.0 29,-2.7 -2,-0.6 30,-0.4 -0.799 18.6-151.4 -97.8 133.6 31.3 17.2 15.2 8 15 A P S S+ 0 0 0 0, 0.0 29,-2.6 0, 0.0 2,-0.2 0.984 80.7 15.9 -62.8 -51.8 34.6 18.7 14.0 9 16 A H S >> S- 0 0 9 27,-0.1 2,-1.8 26,-0.1 3,-1.1 -0.702 95.2 -84.6-121.1 167.6 32.9 20.9 11.3 10 17 A L T 34 S+ 0 0 5 27,-0.3 62,-0.0 -2,-0.2 61,-0.0 -0.556 121.0 24.4 -74.8 81.9 29.4 22.1 10.4 11 18 A D T 3> S+ 0 0 11 -2,-1.8 4,-2.6 61,-0.0 5,-0.2 0.008 92.4 94.7 157.1 -24.0 28.3 19.0 8.4 12 19 A D H <> S+ 0 0 6 -3,-1.1 4,-2.4 1,-0.2 169,-0.3 0.893 84.6 48.5 -67.8 -42.6 30.3 16.1 9.7 13 20 A A H X S+ 0 0 1 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.915 115.7 45.2 -64.4 -40.3 28.0 14.6 12.3 14 21 A V H > S+ 0 0 0 3,-0.2 4,-1.7 1,-0.2 5,-0.3 0.948 115.1 47.3 -69.6 -45.7 25.0 14.7 9.9 15 22 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 126.0 28.5 -59.1 -41.7 27.0 13.2 7.0 16 23 A S H < S+ 0 0 2 -4,-2.4 163,-0.3 -5,-0.2 -2,-0.2 0.758 140.8 11.6 -94.2 -26.8 28.5 10.5 9.1 17 24 A F H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.3 -3,-0.2 0.182 81.7 118.6-144.1 13.1 26.0 9.8 11.8 18 25 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.859 81.1 50.8 -58.6 -38.6 22.8 11.6 10.8 19 26 A A H > S+ 0 0 0 -5,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.931 111.9 48.1 -66.4 -42.7 20.8 8.4 10.6 20 27 A G H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.883 113.0 48.1 -58.8 -42.8 22.0 7.3 14.1 21 28 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.922 112.3 48.0 -65.4 -46.1 21.2 10.7 15.5 22 29 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 113.1 48.2 -61.8 -44.9 17.7 10.8 14.0 23 30 A Q H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.911 109.5 53.1 -64.5 -42.8 17.0 7.3 15.3 24 31 A A H <>S+ 0 0 16 -4,-2.3 5,-2.4 2,-0.2 4,-0.5 0.928 109.9 48.7 -55.6 -47.2 18.2 8.1 18.8 25 32 A A H ><5S+ 0 0 26 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.931 111.5 48.4 -61.3 -47.8 15.9 11.1 18.9 26 33 A Q H 3<5S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.863 106.1 58.1 -60.8 -36.8 12.9 9.1 17.7 27 34 A D T 3<5S- 0 0 112 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.590 126.1-102.4 -69.3 -10.7 13.8 6.4 20.4 28 35 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.460 71.2 146.7 102.6 5.4 13.4 9.1 23.0 29 36 A A < - 0 0 19 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.348 54.8-117.7 -69.4 150.3 17.1 9.9 23.7 30 37 A N E -a 2 0A 92 -29,-3.1 -27,-2.7 51,-0.0 2,-0.4 -0.860 41.3-167.6 -86.3 116.2 18.2 13.4 24.6 31 38 A V E +a 3 0A 7 -2,-0.7 51,-1.8 -29,-0.2 2,-0.4 -0.921 16.7 176.7-117.7 131.2 20.5 14.3 21.7 32 39 A L E -ac 4 82A 18 -29,-2.5 -27,-2.7 -2,-0.4 2,-0.6 -0.998 13.5-158.8-131.9 127.4 22.9 17.2 21.4 33 40 A V E -ac 5 83A 1 49,-2.4 51,-1.8 -2,-0.4 2,-0.5 -0.933 11.7-168.3-109.3 112.3 25.3 17.8 18.5 34 41 A Y E -ac 6 84A 3 -29,-3.1 -27,-3.0 -2,-0.6 2,-0.6 -0.875 6.9-154.6-101.9 125.5 28.2 20.0 19.5 35 42 A T E > -ac 7 85A 0 49,-2.6 51,-3.2 -2,-0.5 3,-0.6 -0.918 3.5-164.7-104.5 122.6 30.4 21.3 16.7 36 43 A V T 3 S+ 0 0 0 -29,-2.7 52,-1.5 -2,-0.6 2,-1.3 0.957 82.4 47.8 -67.9 -54.5 33.9 22.2 17.7 37 44 A F T 3 S+ 0 0 6 -29,-2.6 -27,-0.3 -30,-0.4 53,-0.3 -0.319 76.3 108.2 -95.2 53.0 35.1 24.3 14.8 38 45 A A < + 0 0 0 -2,-1.3 -1,-0.2 -3,-0.6 51,-0.2 0.108 43.6 144.5-109.4 17.9 32.1 26.6 14.5 39 46 A G - 0 0 1 49,-2.8 51,-0.4 -3,-0.3 48,-0.2 -0.306 57.6-100.9 -68.9 142.7 33.8 29.7 15.9 40 47 A A - 0 0 76 49,-0.1 2,-0.4 46,-0.1 -1,-0.1 -0.304 39.9-166.9 -62.2 135.5 32.9 33.1 14.4 41 48 A A - 0 0 12 -3,-0.1 24,-0.2 48,-0.0 25,-0.2 -0.963 4.7-170.7-126.9 144.7 35.3 34.4 11.9 42 49 A Q - 0 0 167 -2,-0.4 20,-0.1 2,-0.2 21,-0.0 -0.947 31.6 -54.2-131.3 152.9 35.6 37.9 10.5 43 50 A P S S+ 0 0 57 0, 0.0 2,-0.1 0, 0.0 18,-0.0 -0.216 91.5 76.9 -58.4 159.1 37.6 39.5 7.7 44 51 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.414 69.9-174.6 -76.7 143.2 40.3 39.8 6.7 45 52 A Y - 0 0 11 -2,-0.1 48,-0.1 1,-0.1 16,-0.0 -0.727 27.3-106.7 -99.5 153.3 40.2 36.3 5.4 46 53 A S > - 0 0 1 46,-0.5 4,-2.7 -2,-0.3 5,-0.2 -0.319 32.5-108.7 -67.7 158.9 43.2 34.5 3.8 47 54 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.883 122.9 54.2 -50.9 -40.8 43.2 33.9 0.0 48 55 A A H > S+ 0 0 1 55,-0.3 4,-2.3 2,-0.2 5,-0.1 0.918 109.3 45.9 -62.4 -45.2 42.7 30.2 0.8 49 56 A A H > S+ 0 0 0 43,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.923 111.9 51.7 -62.1 -45.6 39.6 31.0 2.9 50 57 A Q H X S+ 0 0 64 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.891 108.6 52.2 -58.2 -39.9 38.3 33.4 0.2 51 58 A R H X S+ 0 0 88 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 110.6 47.1 -59.6 -46.1 38.8 30.5 -2.3 52 59 A X H X S+ 0 0 24 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 107.9 56.3 -62.1 -42.3 36.7 28.2 -0.1 53 60 A H H <>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 -1,-0.2 0.899 107.9 48.1 -57.5 -44.9 34.0 30.8 0.4 54 61 A T H ><5S+ 0 0 84 -4,-2.0 3,-1.6 3,-0.2 -1,-0.2 0.902 110.4 50.5 -58.8 -45.1 33.7 31.0 -3.4 55 62 A I H 3<5S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.867 107.3 55.8 -61.4 -35.6 33.5 27.2 -3.7 56 63 A W T 3<5S- 0 0 16 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.400 124.1-107.6 -77.0 1.6 30.8 27.3 -1.0 57 64 A G T < 5S+ 0 0 68 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.731 81.2 119.8 77.4 25.1 28.8 29.7 -3.2 58 65 A L S - 0 0 47 -2,-0.2 3,-1.8 1,-0.1 5,-0.1 -0.523 44.8-107.7 -72.6 151.3 31.2 36.1 -1.8 60 67 A P T 3 S+ 0 0 55 0, 0.0 -7,-0.2 0, 0.0 4,-0.1 0.855 118.1 39.0 -50.3 -40.8 34.9 36.1 -0.7 61 68 A D T 3 S+ 0 0 96 2,-0.1 -11,-0.0 -8,-0.1 -2,-0.0 0.255 88.6 126.3 -99.0 13.5 34.3 38.4 2.2 62 69 A D S < S- 0 0 49 -3,-1.8 2,-1.9 1,-0.1 3,-0.2 -0.230 76.6-102.2 -66.3 158.2 30.9 36.9 3.3 63 70 A D > + 0 0 72 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.589 50.4 172.0 -79.7 80.9 30.3 35.8 6.9 64 71 A A H > S+ 0 0 0 -2,-1.9 4,-2.9 1,-0.2 5,-0.2 0.849 70.7 58.0 -65.9 -35.9 30.7 32.2 5.9 65 72 A V H > S+ 0 0 11 -24,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 106.9 49.0 -61.3 -43.5 30.6 30.9 9.5 66 73 A L H > S+ 0 0 76 2,-0.2 4,-2.2 -25,-0.2 -2,-0.2 0.924 111.8 49.0 -58.8 -47.3 27.2 32.5 10.0 67 74 A Y H X S+ 0 0 115 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.923 114.5 45.2 -57.4 -48.4 25.9 30.9 6.8 68 75 A R H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.842 108.8 55.1 -68.9 -33.4 27.2 27.5 7.8 69 76 A R H X S+ 0 0 71 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.913 108.6 49.8 -65.0 -40.3 25.8 27.8 11.3 70 77 A K H X S+ 0 0 131 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.894 110.2 49.8 -65.4 -39.6 22.4 28.5 9.9 71 78 A E H X S+ 0 0 24 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.922 110.8 50.9 -58.7 -46.3 22.7 25.4 7.6 72 79 A D H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.908 109.3 49.5 -59.7 -44.7 23.7 23.3 10.6 73 80 A I H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.916 112.3 48.8 -62.8 -42.8 20.7 24.5 12.6 74 81 A A H X S+ 0 0 41 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 113.3 46.5 -61.1 -48.5 18.4 23.6 9.7 75 82 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.928 116.2 43.5 -60.0 -46.9 19.9 20.2 9.2 76 83 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.6 0.893 110.9 55.3 -70.6 -38.3 19.9 19.3 12.9 77 84 A D H ><5S+ 0 0 98 -4,-2.8 3,-0.8 -5,-0.3 -1,-0.2 0.891 105.9 54.0 -54.0 -42.9 16.4 20.7 13.2 78 85 A H H 3<5S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.888 109.0 45.8 -61.4 -40.1 15.4 18.4 10.4 79 86 A L H 3<5S- 0 0 1 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.521 115.7-121.8 -75.2 -8.7 16.8 15.4 12.4 80 87 A R T <<5 + 0 0 205 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.825 69.4 125.5 66.5 40.8 14.9 16.8 15.4 81 88 A V < - 0 0 11 -5,-2.4 -1,-0.2 -51,-0.1 -49,-0.2 -0.876 60.7-105.9-127.3 158.8 18.1 17.1 17.5 82 89 A A E -c 32 0A 47 -51,-1.8 -49,-2.4 -2,-0.3 2,-0.3 -0.406 29.9-151.1 -84.1 157.2 19.7 20.0 19.5 83 90 A H E -c 33 0A 70 -51,-0.2 2,-0.3 -2,-0.1 -49,-0.2 -0.865 12.3-170.1-124.2 159.7 22.8 21.9 18.4 84 91 A R E -c 34 0A 84 -51,-1.8 -49,-2.6 -2,-0.3 2,-0.6 -0.918 16.0-147.0-150.0 124.3 25.6 23.7 20.1 85 92 A H E -c 35 0A 37 -2,-0.3 -49,-0.2 -51,-0.2 -51,-0.1 -0.852 16.8-144.3-103.2 116.2 28.1 25.8 18.2 86 93 A G - 0 0 5 -51,-3.2 -50,-0.1 -2,-0.6 -46,-0.1 -0.044 14.8-120.9 -72.8 177.0 31.7 25.9 19.6 87 94 A R + 0 0 126 -48,-0.2 2,-0.2 -49,-0.1 -50,-0.1 0.425 69.2 113.3-100.5 -4.0 34.2 28.7 19.6 88 95 A F - 0 0 11 -52,-1.5 -49,-2.8 -49,-0.1 2,-0.4 -0.527 65.2-120.0 -84.2 140.9 37.1 27.2 17.7 89 96 A L - 0 0 60 -2,-0.2 -51,-0.1 -51,-0.2 5,-0.1 -0.621 27.2-113.4 -80.2 131.7 38.2 28.6 14.3 90 97 A D >> - 0 0 13 -2,-0.4 3,-2.5 -51,-0.4 4,-0.7 -0.135 38.3-101.3 -51.4 151.2 38.1 26.2 11.3 91 98 A S G >4 S+ 0 0 7 1,-0.3 3,-0.5 2,-0.2 12,-0.5 0.769 120.9 63.9 -53.6 -28.3 41.6 25.5 10.0 92 99 A I G 34 S+ 0 0 8 1,-0.2 -46,-0.5 10,-0.1 -43,-0.3 0.616 108.4 40.7 -73.2 -8.8 41.1 28.1 7.1 93 100 A Y G <4 S+ 0 0 17 -3,-2.5 -1,-0.2 -48,-0.1 -2,-0.2 0.471 92.9 103.3-113.0 -9.2 40.8 30.9 9.6 94 101 A R << - 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