==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ANTIBIOTIC 31-MAR-10 2XAD . COMPND 2 MOLECULE: N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOPLANES TEICHOMYCETICUS; . AUTHOR H.C.CHAN,Y.T.HUANG,S.Y.LYU,C.J.HUANG,Y.S.LI,Y.C.LIU,C.C.CHOU . 1058 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 75 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 358 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 4 0 0 0 0 4 0 4 4 0 0 7 3 2 0 0 0 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 0 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 PARALLEL BRIDGES PER LADDER . 9 4 9 3 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 . 6 2 0 0 0 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 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 7 A A 0 0 123 0, 0.0 2,-0.5 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 148.5 14.6 75.9 8.5 2 8 A T - 0 0 83 27,-0.2 29,-2.7 23,-0.1 2,-0.5 -0.905 360.0-168.0-106.5 128.3 15.0 72.2 8.7 3 9 A R E -a 31 0A 61 -2,-0.5 141,-2.3 27,-0.2 142,-1.6 -0.973 8.0-163.5-120.7 106.6 14.3 70.5 12.1 4 10 A L E -ab 32 145A 8 27,-2.5 29,-2.6 -2,-0.5 2,-0.7 -0.855 3.6-166.2 -98.4 124.4 15.5 66.9 12.1 5 11 A L E -ab 33 146A 0 140,-2.6 142,-2.3 -2,-0.5 2,-0.5 -0.940 4.3-167.2-111.1 111.9 14.1 64.7 14.9 6 12 A A E -ab 34 147A 0 27,-2.9 29,-2.7 -2,-0.7 2,-0.7 -0.902 6.8-155.2-101.2 129.4 16.0 61.5 15.2 7 13 A I E -ab 35 148A 0 140,-2.8 142,-0.6 -2,-0.5 29,-0.2 -0.896 13.3-171.4-107.7 101.0 14.3 58.9 17.4 8 14 A S E -a 36 0A 1 27,-2.4 29,-2.6 -2,-0.7 30,-0.4 -0.748 18.7-151.0 -93.6 135.8 16.9 56.4 18.9 9 15 A P S S+ 0 0 0 0, 0.0 29,-2.6 0, 0.0 2,-0.2 0.985 79.9 17.3 -64.7 -54.3 15.7 53.3 20.8 10 16 A H S >> S- 0 0 13 27,-0.1 3,-1.6 26,-0.1 2,-1.3 -0.675 98.9 -81.6-116.9 166.4 18.7 53.1 23.1 11 17 A L T 34 S+ 0 0 5 27,-0.3 61,-0.0 1,-0.2 62,-0.0 -0.604 121.7 20.6 -72.3 91.7 21.5 55.4 24.2 12 18 A D T 3> S+ 0 0 22 -2,-1.3 4,-3.0 61,-0.1 5,-0.3 0.006 91.7 101.7 140.4 -16.1 23.9 55.0 21.1 13 19 A D H <> S+ 0 0 11 -3,-1.6 4,-3.1 1,-0.2 5,-0.4 0.910 82.1 48.4 -69.9 -42.5 21.7 53.7 18.3 14 20 A A H X S+ 0 0 1 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.893 117.4 43.5 -59.2 -41.1 21.2 57.0 16.4 15 21 A V H > S+ 0 0 1 3,-0.2 4,-1.7 2,-0.2 5,-0.3 0.943 116.0 46.7 -72.5 -42.5 24.9 57.7 16.5 16 22 A L H < S+ 0 0 28 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.890 127.1 27.4 -63.1 -40.4 25.9 54.2 15.6 17 23 A S H < S+ 0 0 2 -4,-3.1 163,-0.2 -5,-0.3 -1,-0.2 0.754 141.4 14.8 -92.1 -27.9 23.4 53.9 12.8 18 24 A F H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.4 -3,-0.2 0.142 80.6 123.3-142.0 19.9 22.9 57.5 11.6 19 25 A G H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.3 5,-0.2 0.865 80.5 49.9 -63.2 -39.1 25.9 59.4 13.2 20 26 A A H > S+ 0 0 0 -5,-0.3 4,-3.5 2,-0.2 -1,-0.3 0.921 110.0 49.3 -68.2 -36.0 27.1 60.6 9.8 21 27 A G H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.858 113.4 47.1 -63.6 -41.6 23.6 61.8 8.8 22 28 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -8,-0.2 -2,-0.2 0.925 113.7 48.6 -60.4 -48.5 23.4 63.7 12.2 23 29 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.944 113.7 46.7 -60.8 -46.2 26.9 65.1 11.5 24 30 A Q H X S+ 0 0 45 -4,-3.5 4,-2.3 1,-0.2 6,-0.2 0.923 112.2 49.7 -60.8 -47.1 26.0 66.1 7.9 25 31 A A H <>S+ 0 0 14 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.902 112.5 47.6 -55.0 -48.1 22.7 67.7 9.1 26 32 A A H ><5S+ 0 0 29 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.964 110.6 51.4 -57.1 -55.9 24.5 69.6 11.8 27 33 A Q H 3<5S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.810 107.7 54.5 -46.8 -39.8 27.2 70.7 9.2 28 34 A D T 3<5S- 0 0 114 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.413 122.0-107.6 -78.9 2.0 24.3 72.0 6.9 29 35 A G T < 5 + 0 0 66 -3,-2.4 -3,-0.2 1,-0.2 -27,-0.2 0.582 65.6 154.5 80.4 10.3 22.9 74.1 9.7 30 36 A A < - 0 0 22 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.316 51.5-115.7 -63.6 154.9 19.9 72.0 10.4 31 37 A N E -a 3 0A 89 -29,-2.7 -27,-2.5 51,-0.1 2,-0.4 -0.886 43.0-167.3 -90.4 114.5 18.3 72.1 13.9 32 38 A V E +a 4 0A 7 -2,-0.7 51,-2.3 -29,-0.2 2,-0.4 -0.914 17.9 177.6-116.1 133.3 18.9 68.5 15.2 33 39 A L E -ac 5 83A 16 -29,-2.6 -27,-2.9 -2,-0.4 2,-0.7 -1.000 12.8-159.7-136.1 125.6 17.4 66.7 18.2 34 40 A V E -ac 6 84A 1 49,-2.1 51,-1.7 -2,-0.4 2,-0.5 -0.965 11.0-169.0-105.7 112.0 18.1 63.1 19.1 35 41 A Y E -ac 7 85A 0 -29,-2.7 -27,-2.4 -2,-0.7 2,-0.7 -0.876 7.6-154.8-100.1 125.3 15.3 61.8 21.4 36 42 A T E > -ac 8 86A 0 49,-2.8 51,-2.9 -2,-0.5 3,-0.7 -0.900 4.2-164.7-106.4 119.5 16.2 58.4 22.9 37 43 A V T 3 S+ 0 0 0 -29,-2.6 52,-1.6 -2,-0.7 2,-1.2 0.964 82.5 46.7 -69.4 -49.7 13.0 56.5 23.8 38 44 A F T 3 S+ 0 0 6 -29,-2.6 -27,-0.3 -30,-0.4 53,-0.3 -0.223 76.1 110.4 -94.3 55.0 14.4 53.8 26.1 39 45 A A < + 0 0 0 -2,-1.2 -1,-0.2 -3,-0.7 51,-0.2 0.156 42.4 143.4-110.0 21.5 16.6 56.1 28.2 40 46 A G - 0 0 2 49,-2.9 2,-0.6 -3,-0.3 51,-0.4 -0.287 59.2-111.8 -67.9 140.9 14.4 55.7 31.4 41 47 A A - 0 0 38 49,-0.1 2,-0.3 46,-0.1 -1,-0.1 -0.544 34.6-140.7 -78.6 111.1 16.2 55.7 34.7 42 48 A A - 0 0 3 -2,-0.6 24,-0.2 47,-0.1 25,-0.1 -0.581 6.5-143.5 -80.3 139.1 15.9 52.2 36.0 43 49 A Q - 0 0 50 -2,-0.3 -1,-0.0 646,-0.1 21,-0.0 -0.861 35.2 -90.2-102.8 129.8 15.3 51.7 39.7 44 50 A P S S+ 0 0 60 0, 0.0 2,-0.2 0, 0.0 648,-0.1 -0.148 86.6 83.5 -62.4 163.2 17.0 48.7 41.4 45 51 A P S S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.466 71.6-152.9 -72.8 157.5 17.0 45.9 42.3 46 52 A Y - 0 0 6 -2,-0.2 48,-0.1 402,-0.2 16,-0.0 -0.732 13.7-106.3-100.3 154.5 18.0 44.6 38.9 47 53 A S > - 0 0 1 46,-0.5 4,-2.9 -2,-0.3 5,-0.3 -0.285 34.4-105.0 -66.6 161.7 17.4 41.3 37.3 48 54 A P H > S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 403,-0.2 0.912 123.3 51.5 -53.6 -41.8 20.1 38.7 36.9 49 55 A A H > S+ 0 0 2 55,-0.3 4,-2.0 1,-0.2 5,-0.1 0.897 110.9 45.5 -64.7 -43.2 20.3 39.6 33.2 50 56 A A H > S+ 0 0 0 43,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.874 111.5 53.0 -63.7 -39.9 20.7 43.3 33.9 51 57 A Q H X S+ 0 0 7 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.925 109.9 48.4 -67.4 -39.1 23.2 42.7 36.5 52 58 A R H X S+ 0 0 27 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.913 111.5 50.0 -61.5 -40.5 25.2 40.6 34.1 53 59 A X H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.915 107.7 53.8 -65.0 -41.8 25.0 43.2 31.4 54 60 A H H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 -1,-0.2 0.904 109.8 46.5 -61.8 -42.8 26.2 45.9 33.7 55 61 A T H ><5S+ 0 0 55 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.908 109.9 54.3 -67.9 -38.2 29.3 43.9 34.6 56 62 A I H 3<5S+ 0 0 63 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 106.6 52.9 -56.2 -38.0 29.9 43.2 30.9 57 63 A W T 3<5S- 0 0 29 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.307 126.3-103.9 -80.0 3.1 29.7 47.0 30.4 58 64 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.652 81.4 125.2 81.5 22.9 32.5 47.5 33.2 59 65 A L S - 0 0 62 -2,-0.3 3,-1.6 1,-0.1 5,-0.1 -0.470 46.9-115.3 -54.8 141.9 29.4 47.3 39.4 61 67 A P T 3 S+ 0 0 36 0, 0.0 -7,-0.2 0, 0.0 4,-0.1 0.799 114.0 44.0 -64.0 -23.4 26.2 45.2 38.8 62 68 A D T 3 S+ 0 0 90 2,-0.1 -2,-0.1 -8,-0.1 -11,-0.0 0.327 90.4 120.3 -98.4 7.6 24.0 47.4 41.1 63 69 A D S < S- 0 0 79 -3,-1.6 2,-1.9 1,-0.1 3,-0.2 -0.133 82.2 -94.2 -69.7 162.1 25.4 50.8 39.7 64 70 A D > + 0 0 66 1,-0.2 4,-1.7 2,-0.1 -1,-0.1 -0.610 52.7 170.7 -79.7 83.6 23.3 53.4 38.0 65 71 A A H > S+ 0 0 0 -2,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.895 72.0 53.5 -67.7 -37.2 23.9 52.1 34.5 66 72 A V H > S+ 0 0 6 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 107.4 52.1 -64.6 -43.6 21.3 54.3 32.8 67 73 A L H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 110.2 48.8 -55.2 -46.8 22.9 57.4 34.4 68 74 A Y H X S+ 0 0 102 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.926 114.0 47.0 -56.4 -44.6 26.3 56.4 33.0 69 75 A R H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.830 107.8 54.1 -64.6 -43.5 24.8 55.8 29.6 70 76 A R H X S+ 0 0 50 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.898 108.0 50.8 -61.4 -37.6 23.0 59.0 29.5 71 77 A K H X S+ 0 0 126 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.894 110.0 49.7 -67.6 -36.1 26.2 60.9 30.3 72 78 A E H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.911 109.6 52.9 -65.1 -37.8 28.0 59.0 27.4 73 79 A D H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.918 108.8 48.1 -66.9 -41.2 25.0 60.0 25.1 74 80 A I H X S+ 0 0 53 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.927 113.3 48.8 -62.3 -42.3 25.4 63.7 26.1 75 81 A A H X S+ 0 0 43 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.868 113.7 45.8 -60.9 -46.1 29.2 63.5 25.4 76 82 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.921 116.7 44.3 -69.5 -40.4 28.6 61.8 22.0 77 83 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.884 110.2 53.0 -79.6 -32.7 25.9 64.2 20.9 78 84 A D H ><5S+ 0 0 96 -4,-2.7 3,-0.8 -5,-0.3 -1,-0.2 0.875 103.8 59.7 -66.1 -31.7 27.8 67.3 22.0 79 85 A H H 3<5S+ 0 0 55 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.884 110.9 40.8 -60.1 -38.6 30.7 66.0 19.9 80 86 A L H 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.478 113.5-124.0 -82.6 -6.9 28.3 66.2 16.9 81 87 A R T <<5 + 0 0 231 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.822 67.9 129.4 65.0 36.3 26.9 69.5 18.2 82 88 A V < - 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