==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-SEP-07 2RDN . COMPND 2 MOLECULE: 1-DEOXYPENTALENIC ACID 11-BETA HYDROXYLASE; FE(II . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR Z.YOU,S.OMURA,H.IKEDA,D.E.CANE,G.JOGL . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 16.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 1 0 1 0 0 0 3 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 3 1 1 0 0 1 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 . 1 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 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 2 A T 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.4 13.6 49.9 -1.9 2 3 A N + 0 0 122 205,-0.0 204,-0.4 203,-0.0 2,-0.2 0.549 360.0 111.6 -81.9 -10.4 14.4 47.9 -5.0 3 4 A V + 0 0 32 1,-0.1 204,-0.2 202,-0.1 3,-0.1 -0.486 38.3 171.5 -63.5 126.5 11.1 45.9 -4.5 4 5 A T + 0 0 103 202,-2.4 2,-0.3 -2,-0.2 203,-0.2 0.447 53.6 22.7-117.3 -3.6 8.7 46.9 -7.3 5 6 A G B -a 207 0A 21 201,-1.6 203,-2.4 203,-0.0 2,-0.2 -0.961 65.4-108.2-157.9 172.7 5.9 44.4 -6.8 6 7 A D - 0 0 84 -2,-0.3 2,-0.2 201,-0.2 203,-0.2 -0.647 42.1 -98.8-100.4 156.8 3.8 42.0 -4.7 7 8 A Y - 0 0 13 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.526 41.7-116.2 -65.2 143.0 3.6 38.2 -4.8 8 9 A T - 0 0 70 -2,-0.2 2,-0.8 1,-0.0 23,-0.5 -0.704 26.8-115.9 -77.9 134.3 0.6 37.0 -6.8 9 10 A D B +e 31 0B 67 -2,-0.4 23,-0.2 1,-0.2 -1,-0.0 -0.643 37.2 177.4 -70.9 108.9 -1.8 35.0 -4.7 10 11 A C > + 0 0 0 21,-2.9 3,-2.1 -2,-0.8 4,-0.5 0.395 46.7 107.0 -96.6 1.9 -1.6 31.6 -6.2 11 12 A T G > S+ 0 0 35 20,-0.5 3,-1.9 1,-0.3 4,-0.3 0.883 76.4 52.8 -51.9 -46.8 -4.0 29.8 -3.8 12 13 A P G 3 S+ 0 0 102 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.602 98.1 67.6 -71.2 -4.8 -6.9 29.5 -6.3 13 14 A L G X S+ 0 0 44 -3,-2.1 3,-1.9 1,-0.2 7,-0.5 0.619 77.8 83.1 -82.2 -14.0 -4.5 27.8 -8.8 14 15 A L T < S+ 0 0 20 -3,-1.9 -1,-0.2 -4,-0.5 3,-0.1 0.817 86.0 56.4 -58.2 -30.9 -4.3 24.8 -6.5 15 16 A G T 3 S+ 0 0 80 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 0.472 104.1 58.5 -80.2 -2.3 -7.5 23.4 -8.0 16 17 A D <> - 0 0 81 -3,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.850 63.5-169.3-136.0 94.6 -6.1 23.5 -11.5 17 18 A R H > S+ 0 0 92 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.867 88.6 49.7 -49.4 -49.1 -2.9 21.5 -12.0 18 19 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 114.2 43.8 -61.2 -44.8 -2.2 22.9 -15.5 19 20 A A H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.872 113.5 51.7 -70.2 -38.2 -2.6 26.6 -14.3 20 21 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -7,-0.5 -2,-0.2 0.953 113.9 43.0 -60.1 -51.3 -0.6 25.9 -11.2 21 22 A D H X S+ 0 0 46 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.892 112.4 54.5 -64.2 -39.6 2.3 24.4 -13.1 22 23 A S H X S+ 0 0 65 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.920 110.2 45.5 -60.2 -47.1 2.1 27.1 -15.8 23 24 A F H X S+ 0 0 28 -4,-2.3 4,-2.9 2,-0.2 5,-0.5 0.950 114.4 48.5 -60.9 -48.9 2.4 29.9 -13.2 24 25 A Y H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 110.6 51.6 -59.5 -40.9 5.3 28.1 -11.5 25 26 A E H < S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 117.2 37.8 -64.0 -41.2 7.1 27.5 -14.8 26 27 A E H < S+ 0 0 102 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 131.0 26.4 -74.7 -41.2 6.9 31.2 -15.9 27 28 A H H < S- 0 0 53 -4,-2.9 143,-2.3 -5,-0.2 144,-0.4 0.731 88.8-134.2-103.5 -28.9 7.5 32.8 -12.5 28 29 A G S < S+ 0 0 0 -4,-2.3 192,-2.4 -5,-0.5 2,-0.3 0.533 74.7 64.8 86.6 7.3 9.5 30.3 -10.4 29 30 A Y E - F 0 219B 0 -6,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.958 58.8-150.0-149.7 164.6 7.4 30.7 -7.3 30 31 A L E - F 0 218B 0 188,-2.1 188,-2.6 -2,-0.3 2,-0.5 -0.984 8.0-159.0-134.8 137.9 4.0 30.1 -5.7 31 32 A F E -eF 9 217B 12 -23,-0.5 -21,-2.9 -2,-0.3 -20,-0.5 -0.986 14.2-171.3-114.7 121.8 2.5 32.2 -2.9 32 33 A L E - F 0 216B 0 184,-2.7 184,-2.5 -2,-0.5 2,-0.5 -0.966 12.1-142.5-123.3 125.3 -0.2 30.3 -1.0 33 34 A R S S- 0 0 143 -2,-0.5 182,-0.2 182,-0.2 181,-0.0 -0.777 71.3 -19.4 -97.2 126.9 -2.4 32.0 1.6 34 35 A N S S+ 0 0 105 -2,-0.5 181,-0.2 178,-0.3 -1,-0.2 0.820 87.0 132.4 53.0 40.6 -3.6 30.3 4.8 35 36 A V + 0 0 35 179,-1.3 2,-0.2 -3,-0.4 180,-0.2 0.732 54.8 69.0 -92.1 -25.2 -3.0 26.8 3.5 36 37 A L S S- 0 0 7 178,-2.5 2,-0.7 1,-0.1 59,-0.1 -0.525 103.1 -90.3 -86.6 161.2 -1.1 25.6 6.6 37 38 A D > - 0 0 66 -2,-0.2 4,-2.3 1,-0.2 3,-0.2 -0.633 35.3-157.7 -72.3 110.3 -2.8 25.0 10.0 38 39 A R H > S+ 0 0 142 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.798 91.4 55.2 -65.0 -29.4 -2.4 28.4 11.6 39 40 A D H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 108.8 48.1 -68.1 -41.1 -2.8 26.9 15.1 40 41 A L H > S+ 0 0 36 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.901 110.5 51.6 -62.8 -43.2 0.1 24.5 14.3 41 42 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.928 106.3 55.1 -60.4 -43.1 2.2 27.4 13.1 42 43 A K H X S+ 0 0 110 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.874 103.1 55.6 -57.4 -39.8 1.5 29.3 16.3 43 44 A T H X S+ 0 0 71 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.882 108.7 47.4 -63.4 -37.1 2.8 26.4 18.4 44 45 A V H X S+ 0 0 2 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.914 110.1 52.2 -68.7 -41.9 6.1 26.6 16.4 45 46 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 110,-0.2 -2,-0.2 0.902 109.7 50.8 -55.9 -42.4 6.3 30.4 17.0 46 47 A E H X S+ 0 0 73 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.884 107.3 52.4 -63.6 -40.6 5.8 29.7 20.7 47 48 A Q H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.919 111.5 46.6 -60.6 -45.4 8.6 27.2 20.7 48 49 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 111.3 52.6 -62.1 -44.9 10.9 29.8 19.1 49 50 A R H X S+ 0 0 38 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.926 108.6 49.0 -57.1 -45.7 9.7 32.4 21.6 50 51 A E H X S+ 0 0 91 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.889 109.3 53.0 -66.3 -35.6 10.5 30.1 24.5 51 52 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.909 109.0 49.8 -60.1 -41.6 13.9 29.5 23.0 52 53 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 6,-1.9 0.811 108.4 52.3 -68.9 -30.9 14.5 33.2 22.8 53 54 A V H < S+ 0 0 32 -4,-2.0 4,-0.5 4,-0.2 -2,-0.2 0.931 116.7 40.4 -66.9 -45.0 13.4 33.7 26.5 54 55 A A H < S+ 0 0 56 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.851 134.9 16.8 -69.9 -34.5 15.9 31.0 27.5 55 56 A L H < S+ 0 0 51 -4,-2.6 21,-0.2 -5,-0.2 -3,-0.2 0.604 126.0 44.2-119.6 -17.2 18.8 32.1 25.1 56 57 A G S < S- 0 0 5 -4,-2.0 14,-0.6 -5,-0.3 15,-0.2 0.290 98.6-115.3-118.8 8.3 18.2 35.6 23.9 57 58 A A + 0 0 87 -4,-0.5 -4,-0.2 1,-0.2 -3,-0.1 0.749 54.3 171.0 59.2 27.6 17.1 37.4 27.1 58 59 A A - 0 0 5 -6,-1.9 -1,-0.2 -9,-0.1 11,-0.1 -0.343 47.4 -88.5 -64.0 148.2 13.6 38.0 25.6 59 60 A D > - 0 0 84 9,-0.4 3,-1.1 1,-0.2 -1,-0.1 -0.440 32.7-146.9 -58.0 117.7 10.9 39.4 27.9 60 61 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 0.641 97.3 45.0 -67.6 -9.4 9.3 36.3 29.5 61 62 A H T 3 S+ 0 0 164 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.389 86.7 112.8-113.1 1.4 6.0 38.2 29.6 62 63 A A < - 0 0 7 -3,-1.1 2,-0.0 1,-0.1 5,-0.0 -0.485 65.4-124.8 -73.4 140.6 6.0 39.7 26.1 63 64 A T >> - 0 0 78 -2,-0.2 4,-1.5 1,-0.1 3,-0.5 -0.300 38.2 -94.4 -68.1 168.4 3.4 38.5 23.5 64 65 A L T 34 S+ 0 0 28 1,-0.2 174,-0.3 2,-0.2 3,-0.2 0.894 128.8 44.7 -54.1 -42.1 4.8 37.3 20.1 65 66 A E T 34 S+ 0 0 81 1,-0.2 -1,-0.2 172,-0.1 173,-0.1 0.697 113.0 50.9 -81.0 -17.1 4.4 40.7 18.5 66 67 A E T <4 S+ 0 0 127 -3,-0.5 -1,-0.2 171,-0.1 -2,-0.2 0.646 89.1 113.1 -84.1 -18.9 5.9 42.5 21.6 67 68 A L < + 0 0 2 -4,-1.5 171,-0.4 -3,-0.2 2,-0.3 -0.184 36.1 157.6 -61.8 142.1 8.9 40.2 21.6 68 69 A T - 0 0 70 169,-0.1 -9,-0.4 51,-0.1 2,-0.3 -0.949 24.0-151.4-149.2 167.7 12.4 41.5 20.8 69 70 A I - 0 0 7 -2,-0.3 3,-0.2 -11,-0.1 -12,-0.1 -0.964 23.0-127.8-135.7 154.4 16.0 40.5 21.4 70 71 A D S S+ 0 0 153 -14,-0.6 2,-0.3 -2,-0.3 3,-0.1 0.864 91.1 3.0 -67.4 -35.5 19.1 42.7 21.7 71 72 A S - 0 0 39 -15,-0.2 3,-0.4 1,-0.1 4,-0.3 -0.967 48.1-148.1-158.4 128.9 21.1 40.7 19.1 72 73 A F S > S+ 0 0 19 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.904 105.7 57.0 -57.9 -41.6 20.6 37.8 16.8 73 74 A E T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.709 94.6 63.6 -66.9 -24.0 24.3 37.0 17.3 74 75 A S T 3 S+ 0 0 74 -3,-0.4 2,-0.4 -18,-0.1 -1,-0.3 0.629 87.3 90.8 -75.8 -12.6 24.0 36.7 21.1 75 76 A V S < S- 0 0 10 -3,-1.4 2,-1.0 -4,-0.3 -19,-0.1 -0.712 83.9-122.8 -90.8 131.0 21.7 33.7 20.7 76 77 A D > - 0 0 89 -2,-0.4 4,-1.9 -21,-0.2 -2,-0.1 -0.616 25.5-167.9 -71.3 102.2 23.1 30.2 20.6 77 78 A E H > S+ 0 0 46 -2,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.835 83.8 56.1 -66.6 -34.5 21.7 29.0 17.2 78 79 A V H 4 S+ 0 0 78 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.934 109.0 47.4 -62.8 -44.3 22.6 25.4 17.8 79 80 A A H >> S+ 0 0 16 1,-0.2 3,-1.9 2,-0.2 4,-0.8 0.871 104.0 61.4 -65.7 -34.5 20.6 25.4 21.0 80 81 A M H >X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 3,-0.7 0.846 94.2 64.5 -60.2 -31.8 17.7 27.1 19.2 81 82 A H H 3< S+ 0 0 15 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.610 98.3 54.3 -67.3 -12.8 17.5 24.0 17.0 82 83 A D H <4 S+ 0 0 108 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.708 111.2 45.9 -85.7 -25.2 16.6 22.0 20.1 83 84 A Y H << S+ 0 0 85 -4,-0.8 2,-0.8 -3,-0.7 -2,-0.2 0.883 98.8 69.3 -83.9 -43.6 13.7 24.4 20.8 84 85 A V < - 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