==== 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 2RDR . 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 . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 58.0 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 17.0 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 . 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 0 0 0 1 0 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 3 A N 0 0 176 0, 0.0 204,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -17.9 12.9 16.6 13.3 2 4 A V + 0 0 61 1,-0.1 204,-0.2 202,-0.1 3,-0.1 -0.508 360.0 174.8 -64.0 127.4 10.3 14.6 11.2 3 5 A T + 0 0 100 202,-2.5 2,-0.3 -2,-0.3 203,-0.2 0.568 52.4 14.1-111.9 -14.8 11.0 15.4 7.6 4 6 A G B -a 206 0A 21 201,-1.6 203,-2.4 3,-0.0 2,-0.2 -0.939 65.5-102.3-155.4 173.0 8.6 13.1 5.7 5 7 A D - 0 0 87 -2,-0.3 2,-0.2 201,-0.2 203,-0.1 -0.640 46.3 -96.8 -93.0 155.6 5.7 10.8 5.4 6 8 A Y - 0 0 11 -2,-0.2 2,-0.4 203,-0.1 -1,-0.1 -0.502 43.2-113.5 -60.7 143.6 5.7 7.0 5.2 7 9 A T - 0 0 69 -2,-0.2 2,-0.8 1,-0.1 23,-0.6 -0.694 28.3-117.4 -77.5 128.4 5.5 5.8 1.6 8 10 A D B +e 30 0B 60 -2,-0.4 23,-0.2 1,-0.2 -1,-0.1 -0.590 36.9 176.7 -67.8 106.7 2.2 4.0 1.0 9 11 A C > + 0 0 0 21,-2.7 3,-2.4 -2,-0.8 4,-0.5 0.424 47.8 105.4 -93.6 -0.9 3.4 0.5 0.1 10 12 A T G > S+ 0 0 38 20,-0.5 3,-1.6 1,-0.3 4,-0.3 0.856 74.3 58.8 -50.6 -44.0 -0.1 -1.1 -0.2 11 13 A P G 3 S+ 0 0 107 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.677 100.1 61.3 -60.9 -13.1 0.1 -1.2 -4.0 12 14 A L G X S+ 0 0 38 -3,-2.4 3,-2.5 1,-0.2 7,-0.5 0.644 76.2 91.1 -83.7 -18.8 3.3 -3.4 -3.6 13 15 A L T < S+ 0 0 28 -3,-1.6 -1,-0.2 -4,-0.5 -3,-0.1 0.746 89.7 43.9 -52.1 -33.2 1.5 -6.2 -1.8 14 16 A G T 3 S+ 0 0 79 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.082 103.5 71.8-100.3 20.8 0.7 -8.2 -5.0 15 17 A D <> - 0 0 83 -3,-2.5 4,-2.9 1,-0.1 5,-0.2 -0.803 59.5-172.4-137.5 92.2 4.2 -7.7 -6.5 16 18 A R H > S+ 0 0 86 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.885 85.7 51.5 -53.5 -46.2 6.8 -9.8 -4.7 17 19 A A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 115.1 40.2 -57.5 -49.6 9.7 -8.2 -6.6 18 20 A A H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.871 116.0 51.5 -69.9 -40.1 8.7 -4.5 -5.9 19 21 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 -7,-0.5 -2,-0.2 0.964 113.6 42.7 -62.0 -53.3 7.7 -5.4 -2.3 20 22 A D H X S+ 0 0 48 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.886 113.7 53.4 -60.4 -40.1 11.0 -7.1 -1.4 21 23 A S H X S+ 0 0 66 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.917 110.6 45.6 -64.3 -44.1 13.0 -4.3 -3.2 22 24 A F H X S+ 0 0 27 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.940 114.8 47.7 -63.8 -47.7 11.3 -1.5 -1.3 23 25 A Y H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.895 111.2 50.8 -62.8 -42.2 11.7 -3.3 2.0 24 26 A E H < S+ 0 0 130 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.926 118.5 37.9 -60.2 -46.4 15.4 -4.1 1.3 25 27 A E H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.918 130.8 27.1 -69.5 -44.9 16.2 -0.5 0.5 26 28 A H H < S- 0 0 32 -4,-3.2 143,-2.3 -5,-0.2 144,-0.3 0.734 87.9-135.5 -99.6 -30.3 14.0 1.2 3.1 27 29 A G S < S+ 0 0 0 -4,-2.4 192,-2.4 -5,-0.4 2,-0.3 0.568 75.0 66.0 83.7 10.6 13.7 -1.2 6.0 28 30 A Y E - F 0 218B 0 -6,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.966 58.5-151.8-149.7 166.1 10.0 -0.7 6.4 29 31 A L E - F 0 217B 1 188,-2.1 188,-2.5 -2,-0.3 2,-0.5 -0.977 6.6-158.7-140.5 135.8 6.5 -1.2 4.8 30 32 A F E -eF 8 216B 11 -23,-0.6 -21,-2.7 -2,-0.3 -20,-0.5 -0.980 15.4-172.7-111.5 117.7 3.5 1.0 5.4 31 33 A L E - F 0 215B 0 184,-2.9 184,-2.8 -2,-0.5 2,-0.4 -0.964 9.6-148.4-119.5 127.2 0.3 -0.9 4.5 32 34 A R - 0 0 128 -2,-0.5 182,-0.2 182,-0.2 181,-0.1 -0.824 68.1 -13.0-106.2 128.9 -3.1 0.9 4.5 33 35 A N S S+ 0 0 89 -2,-0.4 181,-0.2 178,-0.3 -1,-0.2 0.870 88.7 125.5 58.0 44.6 -6.5 -0.7 5.3 34 36 A V + 0 0 35 179,-1.9 2,-0.3 -3,-0.3 180,-0.2 0.624 52.1 76.1-105.5 -21.0 -5.2 -4.3 5.2 35 37 A L S S- 0 0 7 178,-2.4 2,-0.5 1,-0.1 59,-0.1 -0.657 98.6 -93.6 -90.3 149.7 -6.4 -5.4 8.6 36 38 A D > - 0 0 65 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 -0.466 33.9-152.5 -62.1 113.7 -10.0 -6.2 9.4 37 39 A R H > S+ 0 0 132 -2,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.808 93.2 54.6 -64.5 -28.9 -11.3 -2.9 10.8 38 40 A D H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 108.4 49.4 -70.0 -39.0 -13.9 -4.6 13.0 39 41 A L H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.915 112.3 48.0 -62.4 -44.4 -11.2 -6.8 14.6 40 42 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 109.2 53.2 -62.9 -43.3 -9.1 -3.6 15.2 41 43 A K H X S+ 0 0 110 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.904 106.4 54.2 -57.1 -42.9 -12.2 -1.8 16.7 42 44 A T H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 108.7 47.3 -60.5 -43.4 -12.7 -4.8 19.1 43 45 A V H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.937 112.1 50.1 -62.6 -47.4 -9.1 -4.5 20.3 44 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.926 110.9 49.6 -55.7 -46.3 -9.5 -0.7 20.8 45 47 A E H X S+ 0 0 88 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.863 109.0 52.7 -61.1 -38.7 -12.7 -1.3 22.7 46 48 A Q H X S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 109.2 48.9 -63.3 -45.4 -10.9 -3.9 24.9 47 49 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.936 112.7 48.0 -58.7 -46.9 -8.2 -1.4 25.7 48 50 A R H X S+ 0 0 64 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.923 107.8 55.7 -56.9 -46.6 -10.9 1.2 26.5 49 51 A E H X S+ 0 0 111 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.923 108.9 48.0 -52.8 -45.4 -12.7 -1.4 28.7 50 52 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.925 112.1 48.0 -59.4 -47.8 -9.5 -1.8 30.7 51 53 A L H <>S+ 0 0 0 -4,-2.3 6,-1.8 1,-0.2 5,-1.7 0.843 116.8 43.2 -66.6 -34.5 -9.0 1.9 31.1 52 54 A V H ><5S+ 0 0 43 -4,-2.8 3,-1.9 4,-0.2 -2,-0.2 0.938 115.0 48.3 -70.8 -49.9 -12.6 2.4 32.2 53 55 A A H 3<5S+ 0 0 59 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.850 109.6 53.0 -61.7 -37.3 -12.6 -0.7 34.5 54 56 A L T 3<5S- 0 0 66 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.292 118.7-110.8 -84.9 7.9 -9.3 0.4 36.1 55 57 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.477 91.0 106.0 83.4 4.2 -10.7 3.9 36.9 56 58 A A S - 0 0 81 9,-0.4 3,-1.7 -2,-0.3 -6,-0.1 -0.628 17.1-150.3 -80.0 121.7 -14.8 8.0 31.4 59 61 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.562 96.5 61.4 -67.7 -7.5 -17.5 5.3 30.5 60 62 A H T 3 S+ 0 0 161 2,-0.1 2,-0.3 5,-0.1 -2,-0.0 0.435 87.5 100.1 -94.7 -2.2 -19.5 8.1 28.6 61 63 A A < - 0 0 14 -3,-1.7 5,-0.0 6,-0.1 2,-0.0 -0.663 66.0-135.3 -96.5 138.9 -16.7 8.7 26.1 62 64 A T > - 0 0 72 -2,-0.3 4,-1.2 1,-0.1 3,-0.4 -0.244 43.9 -93.7 -68.5 172.9 -16.2 7.5 22.5 63 65 A L T 4 S+ 0 0 32 1,-0.2 174,-0.3 2,-0.2 3,-0.3 0.895 128.1 45.9 -59.1 -42.3 -12.7 6.2 21.6 64 66 A E T 4 S+ 0 0 84 1,-0.2 -1,-0.2 172,-0.1 173,-0.1 0.685 112.9 50.4 -78.0 -18.7 -11.6 9.6 20.2 65 67 A E T 4 S+ 0 0 127 -3,-0.4 -1,-0.2 171,-0.1 -2,-0.2 0.622 88.0 114.7 -87.1 -17.0 -13.0 11.4 23.3 66 68 A L < + 0 0 4 -4,-1.2 171,-0.4 -3,-0.3 2,-0.3 -0.171 37.0 161.2 -58.6 143.0 -11.2 9.1 25.7 67 69 A T - 0 0 68 169,-0.1 -9,-0.4 51,-0.1 2,-0.3 -0.973 21.4-157.1-153.4 162.1 -8.5 10.4 27.9 68 70 A I - 0 0 5 -2,-0.3 3,-0.2 -11,-0.1 -11,-0.1 -0.963 25.5-125.9-137.0 155.7 -6.6 9.4 31.1 69 71 A D S S- 0 0 165 -13,-0.4 2,-0.3 -2,-0.3 3,-0.1 0.868 90.6 -0.9 -66.3 -37.6 -4.7 11.5 33.7 70 72 A S - 0 0 35 1,-0.1 -1,-0.3 -14,-0.1 3,-0.3 -0.960 47.9-145.4-161.3 130.1 -1.5 9.5 33.4 71 73 A F S > S+ 0 0 17 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.926 104.6 56.0 -58.7 -44.8 -0.1 6.5 31.5 72 74 A E T 3 S+ 0 0 94 1,-0.3 -1,-0.2 -3,-0.1 4,-0.2 0.758 96.5 61.4 -64.0 -29.8 1.9 5.6 34.6 73 75 A S T 3 S+ 0 0 87 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.477 86.5 93.7 -80.7 -0.5 -1.0 5.4 37.1 74 76 A V S < S- 0 0 13 -3,-1.5 2,-1.1 -4,-0.2 3,-0.1 -0.763 85.9-117.3 -92.0 137.4 -2.6 2.6 35.1 75 77 A D > - 0 0 91 -2,-0.4 4,-2.0 1,-0.2 -2,-0.1 -0.626 29.3-170.2 -73.8 100.8 -1.9 -1.0 36.1 76 78 A E H > S+ 0 0 47 -2,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.855 82.4 55.7 -65.8 -36.5 -0.1 -2.2 32.9 77 79 A V H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.935 109.7 46.5 -62.2 -44.8 -0.2 -5.9 34.0 78 80 A A H >> S+ 0 0 15 1,-0.2 3,-1.3 2,-0.2 4,-1.0 0.884 105.3 61.2 -64.5 -36.1 -4.0 -5.7 34.5 79 81 A M H 3X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.3 3,-0.5 0.856 96.5 59.9 -59.1 -35.7 -4.3 -4.0 31.1 80 82 A H H 3< S+ 0 0 14 -4,-1.5 -1,-0.3 -3,-0.4 5,-0.2 0.757 99.4 57.4 -63.1 -26.1 -2.7 -7.1 29.4 81 83 A D H << S+ 0 0 110 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.838 110.7 43.4 -69.3 -35.8 -5.7 -9.1 30.8 82 84 A Y H < S+ 0 0 66 -4,-1.0 2,-0.8 -3,-0.5 -2,-0.2 0.879 100.0 71.9 -77.8 -43.7 -8.1 -6.8 29.0 83 85 A V < - 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0 0 61 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.1 -0.521 41.8-160.4 -70.7 121.5 2.0 20.3 30.5 124 126 A E S S+ 0 0 192 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.756 92.6 30.9 -73.7 -27.8 5.1 22.3 31.8 125 127 A E S S- 0 0 185 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.655 88.9-172.1-127.9 72.8 6.6 19.1 33.3 126 128 A P - 0 0 57 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.296 23.9-129.3 -69.7 151.2 5.4 16.4 30.9 127 129 A S + 0 0 43 1,-0.1 -56,-0.2 2,-0.0 -55,-0.1 -0.867 52.5 139.5-100.5 93.7 6.1 12.7 31.6 128 130 A F > + 0 0 44 -2,-0.9 3,-1.5 55,-0.1 -1,-0.1 0.235 37.4 103.4-115.6 12.5 7.7 11.4 28.5 129 131 A H T 3 S+ 0 0 29 1,-0.3 56,-2.7 55,-0.1 -1,-0.1 0.704 74.0 63.2 -68.8 -20.6 10.3 9.1 30.1 130 132 A Y T 3 S+ 0 0 30 54,-0.2 -1,-0.3 -3,-0.1 54,-0.1 0.518 87.7 91.3 -84.0 -5.3 8.3 6.0 29.4 131 133 A L S < S- 0 0 13 -3,-1.5 54,-0.2 1,-0.1 -3,-0.0 -0.209 84.5-101.5 -74.1 175.5 8.6 6.6 25.6 132 134 A T - 0 0 24 52,-0.1 94,-2.2 3,-0.0 3,-0.1 -0.845 23.8-147.0-102.9 141.4 11.4 5.1 23.5 133 135 A P - 0 0 11 0, 0.0 91,-0.2 0, 0.0 2,-0.1 -0.245 57.5 -54.1 -80.5-177.4 14.5 6.9 22.3 134 136 A F S S+ 0 0 17 60,-0.4 60,-2.8 91,-0.1 2,-0.3 -0.422 83.4 142.9 -54.6 131.6 16.1 6.0 19.0 135 137 A H B -B 224 0A 20 89,-1.9 89,-2.3 58,-0.2 2,-0.4 -0.965 48.7-122.7-159.2 173.7 16.7 2.2 19.1 136 138 A Q > - 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