==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER XIDOREDUCTASE 23-DEC-04 2BGL . COMPND 2 MOLECULE: RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PODOPHYLLUM PELTATUM; . AUTHOR B.YOUN,S.G.MOINUDDIN,L.B.DAVIN,N.G.LEWIS,C.KANG . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 24 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 0 0 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 11 A T 0 0 148 0, 0.0 2,-1.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 176.9 14.6 27.0 -3.9 2 12 A N > - 0 0 65 1,-0.2 3,-0.9 27,-0.1 27,-0.2 -0.772 360.0-169.0 -88.6 93.6 15.7 23.6 -2.3 3 13 A R T 3 S+ 0 0 127 -2,-1.3 2,-1.1 1,-0.2 -1,-0.2 0.952 70.5 33.4 -54.3 -75.2 17.1 25.2 0.8 4 14 A L T > S+ 0 0 0 232,-0.1 3,-0.8 22,-0.1 2,-0.3 -0.083 85.7 169.4 -88.1 49.9 19.1 22.6 2.8 5 15 A Q T < + 0 0 102 -2,-1.1 26,-0.2 -3,-0.9 25,-0.1 -0.481 56.3 31.7 -72.5 124.3 20.2 20.9 -0.3 6 16 A D T 3 S+ 0 0 86 24,-1.3 -1,-0.2 1,-0.3 78,-0.1 -0.739 87.8 129.9 130.3 -41.7 22.8 18.3 0.0 7 17 A K < - 0 0 32 -3,-0.8 25,-1.5 24,-0.1 2,-0.5 0.369 47.0-150.6 -48.4 139.1 21.8 17.2 3.5 8 18 A V E -a 32 0A 5 23,-0.2 77,-2.6 -3,-0.1 76,-0.6 -0.979 26.1-178.8-107.5 124.3 21.2 13.6 4.6 9 19 A A E -ab 33 85A 0 23,-2.2 25,-0.6 -2,-0.5 2,-0.4 -0.850 19.6-156.0-120.1 158.7 18.7 13.5 7.4 10 20 A I E -ab 34 86A 0 75,-0.8 77,-0.7 -2,-0.3 2,-0.5 -0.990 6.4-158.7-136.6 120.5 17.1 10.7 9.6 11 21 A I E - b 0 87A 0 23,-1.6 3,-0.2 -2,-0.4 77,-0.2 -0.872 5.6-156.6 -99.2 135.7 13.8 11.2 11.3 12 22 A T S S+ 0 0 3 75,-1.2 78,-0.7 -2,-0.5 51,-0.1 -0.267 90.5 21.9-101.3 43.9 13.4 8.8 14.2 13 23 A G S S+ 0 0 14 76,-0.1 2,-0.5 6,-0.1 4,-0.5 0.417 74.7 139.3 167.5 34.3 9.6 8.9 14.1 14 24 A G + 0 0 0 -3,-0.2 23,-0.1 5,-0.2 21,-0.1 -0.198 57.0 70.6 -96.6 41.2 8.4 10.0 10.6 15 25 A A S S+ 0 0 1 -2,-0.5 -1,-0.2 21,-0.1 5,-0.1 0.730 93.9 52.8-106.9 -55.3 5.5 7.8 10.0 16 26 A G S S- 0 0 49 -3,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.905 112.3 -62.9 -48.8 -80.8 3.0 9.3 12.4 17 27 A G S > S+ 0 0 27 -4,-0.5 4,-0.5 206,-0.0 3,-0.4 0.550 117.0 31.8-149.6 -72.9 2.4 13.0 12.3 18 28 A I H >> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.1 3,-1.9 0.985 116.5 63.0 -59.6 -53.8 5.0 15.8 12.9 19 29 A G H 34 S+ 0 0 1 -6,-0.4 -5,-0.2 1,-0.3 -1,-0.2 0.533 103.0 43.6 -47.7 -23.6 7.6 13.4 11.5 20 30 A E H 3> S+ 0 0 39 -3,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.581 113.1 47.2-106.1 -11.9 6.2 13.1 7.9 21 31 A T H S+ 0 0 0 -5,-0.3 4,-2.9 -4,-0.2 -2,-0.2 0.902 110.8 48.1 -76.6 -49.7 10.1 14.7 6.2 24 34 A K H < S+ 0 0 65 -4,-1.4 4,-0.2 2,-0.2 -2,-0.2 0.646 113.1 50.7 -63.2 -28.4 8.2 16.0 3.2 25 35 A L H >X S+ 0 0 3 -4,-1.3 4,-3.2 2,-0.2 3,-0.6 0.926 110.4 47.5 -75.4 -53.5 9.5 19.5 3.9 26 36 A F H 3<>S+ 0 0 0 -4,-1.5 5,-2.6 1,-0.3 -2,-0.2 0.873 114.9 46.3 -56.4 -42.2 13.2 18.3 4.1 27 37 A V T 3<5S+ 0 0 31 -4,-2.9 3,-0.5 3,-0.2 -1,-0.3 0.694 112.5 51.6 -73.3 -15.8 12.6 16.3 0.8 28 38 A R T <45S+ 0 0 155 -3,-0.6 -2,-0.2 -4,-0.2 -1,-0.2 0.919 108.0 52.2 -80.0 -40.3 11.0 19.5 -0.6 29 39 A Y T <5S- 0 0 43 -4,-3.2 -1,-0.2 -27,-0.2 -2,-0.2 0.153 128.6 -97.4 -82.5 24.1 14.0 21.5 0.5 30 40 A G T 5S+ 0 0 17 -3,-0.5 -24,-1.3 -5,-0.2 -3,-0.2 0.806 78.3 130.8 74.3 29.3 16.3 19.1 -1.2 31 41 A A < - 0 0 2 -5,-2.6 2,-0.4 -26,-0.2 -23,-0.2 -0.276 55.5-121.2 -91.7-171.8 17.6 16.7 1.5 32 42 A K E -a 8 0A 76 -25,-1.5 -23,-2.2 -2,-0.1 2,-0.3 -0.978 34.7-156.3-130.1 123.6 17.6 12.9 1.3 33 43 A V E -ac 9 56A 0 22,-2.5 24,-1.3 -2,-0.4 2,-0.3 -0.704 24.5-166.0-106.8 154.8 15.6 11.4 4.0 34 44 A V E -ac 10 57A 0 -25,-0.6 -23,-1.6 -2,-0.3 24,-0.2 -0.917 19.6-156.1-130.3 93.8 15.5 8.0 5.8 35 45 A I - 0 0 0 22,-2.0 24,-0.3 -2,-0.3 -23,-0.1 -0.402 12.4-163.6 -63.0 153.1 12.2 7.8 7.8 36 46 A A + 0 0 3 22,-0.2 2,-0.2 -25,-0.2 24,-0.1 -0.418 23.4 137.1-155.0 80.9 12.6 5.4 10.7 37 47 A D - 0 0 33 -2,-0.1 24,-0.5 1,-0.1 22,-0.1 -0.695 54.3-132.8-121.7 165.6 9.8 3.9 12.6 38 48 A I S S+ 0 0 75 22,-0.2 2,-2.9 -2,-0.2 -1,-0.1 0.797 90.7 91.1 -76.6 -37.0 8.5 0.6 14.1 39 49 A A >> + 0 0 41 1,-0.2 4,-3.2 2,-0.1 3,-2.2 -0.317 60.4 177.5 -68.0 65.7 5.0 1.3 12.5 40 50 A D T 34 + 0 0 87 -2,-2.9 4,-0.2 1,-0.3 -1,-0.2 0.570 68.8 50.1 -30.2 -45.8 6.1 -0.6 9.4 41 51 A D T 34 S+ 0 0 130 2,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.215 120.7 34.3 -91.2 5.4 2.8 -0.3 7.4 42 52 A H T X4 S+ 0 0 86 -3,-2.2 3,-1.4 2,-0.0 5,-0.3 0.539 109.3 62.2-120.3 -52.8 2.5 3.5 7.8 43 53 A G T 3X S+ 0 0 0 -4,-3.2 4,-0.6 1,-0.3 -3,-0.2 0.542 113.9 36.8 -48.1 -14.3 6.2 4.5 7.8 44 54 A Q H 3> S+ 0 0 92 -5,-0.2 4,-2.2 -4,-0.2 -1,-0.3 0.489 108.7 60.1-116.3 -10.0 6.6 3.1 4.1 45 55 A K H <4 S+ 0 0 101 -3,-1.4 -2,-0.2 2,-0.2 -4,-0.1 0.102 114.3 42.3 -93.2 21.7 3.1 4.2 2.9 46 56 A V H 4 S+ 0 0 1 -4,-0.1 5,-0.3 5,-0.0 -2,-0.2 0.423 118.4 41.8-123.0 -51.8 4.7 7.6 3.9 47 57 A C H X S+ 0 0 1 -4,-0.6 4,-0.6 -5,-0.3 3,-0.3 0.807 115.3 51.8 -71.6 -27.9 8.1 6.8 2.3 48 58 A N T < S+ 0 0 89 -4,-2.2 2,-0.4 1,-0.3 -1,-0.2 0.710 118.5 40.8 -75.9 -23.2 6.2 5.2 -0.7 49 59 A N T 4 S+ 0 0 89 -5,-0.1 -1,-0.3 -3,-0.1 3,-0.1 -0.838 105.1 53.0-137.8 93.0 4.2 8.5 -1.0 50 60 A I T 4 S- 0 0 43 -2,-0.4 2,-0.3 -3,-0.3 -3,-0.1 -0.375 120.0 -38.0-172.8 -61.3 6.3 11.5 -0.4 51 61 A G S < S- 0 0 25 -4,-0.6 -5,-0.0 -5,-0.3 -27,-0.0 -0.903 72.1 -62.3-159.1-170.4 8.9 10.6 -3.0 52 62 A S > - 0 0 72 -2,-0.3 3,-2.2 1,-0.1 2,-0.3 -0.801 56.7-110.1 -96.9 123.5 11.1 8.0 -4.8 53 63 A P T 3 S+ 0 0 74 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.294 107.4 75.6 -53.9 -18.4 13.6 6.2 -2.4 54 64 A D T 3 S+ 0 0 112 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.847 121.1 22.5 -51.1 -35.7 16.9 7.6 -3.6 55 65 A V S < S+ 0 0 31 -3,-2.2 -22,-2.5 1,-0.2 2,-0.4 0.765 134.8 41.2-102.3 -30.6 15.6 10.5 -1.6 56 66 A I E +c 33 0A 0 -4,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.806 62.2 155.3-137.5 107.8 13.0 8.6 0.7 57 67 A S E -c 34 0A 21 -24,-1.3 -22,-2.0 -2,-0.4 2,-0.2 -0.772 28.0-138.2-119.5 153.8 13.5 5.3 2.4 58 68 A F - 0 0 23 -2,-0.3 2,-0.2 -24,-0.2 -22,-0.2 -0.686 15.5-176.1-105.0 153.5 12.0 3.5 5.6 59 69 A V - 0 0 23 -24,-0.3 2,-0.1 -2,-0.2 -25,-0.0 -0.759 29.4-120.7-151.8 111.4 13.9 1.4 8.2 60 70 A H + 0 0 92 -2,-0.2 2,-0.3 -24,-0.1 -22,-0.2 -0.308 44.1 166.4 -58.1 123.7 12.4 -0.5 11.2 61 71 A C - 0 0 4 -24,-0.5 2,-0.3 -2,-0.1 8,-0.1 -0.957 27.3-166.2-136.5 151.0 13.8 0.9 14.3 62 72 A D > - 0 0 35 -2,-0.3 3,-2.3 3,-0.3 6,-0.3 -0.869 8.7-161.5-147.4 92.9 12.8 0.6 17.9 63 73 A V T 3 S+ 0 0 11 -2,-0.3 58,-0.2 1,-0.3 59,-0.1 0.614 86.4 78.2 -62.6 -11.7 14.6 3.2 20.0 64 74 A T T 3 S+ 0 0 44 1,-0.1 -1,-0.3 57,-0.0 2,-0.3 0.582 98.3 65.8 -68.1 -2.0 13.9 1.3 23.1 65 75 A K <> - 0 0 87 -3,-2.3 4,-1.4 53,-0.1 -3,-0.3 -0.972 64.5-155.5-134.4 138.3 16.9 -0.8 21.6 66 76 A D H > S+ 0 0 59 -2,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.641 96.8 53.4 -82.2 -29.1 20.6 -0.4 20.8 67 77 A E H > S+ 0 0 124 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.721 112.4 51.4 -76.6 -24.5 21.2 -2.9 18.0 68 78 A D H 4 S+ 0 0 32 -6,-0.3 -2,-0.2 2,-0.2 5,-0.1 0.834 109.3 44.1 -78.8 -42.9 18.3 -1.1 16.3 69 79 A V H X S+ 0 0 1 -4,-1.4 4,-1.1 -7,-0.2 3,-0.2 0.784 109.8 61.0 -71.1 -23.6 19.6 2.4 16.6 70 80 A R H X S+ 0 0 118 -4,-0.9 4,-2.3 1,-0.3 2,-1.0 0.973 105.0 51.1 -66.0 -48.6 23.0 0.9 15.5 71 81 A N H < S+ 0 0 84 -4,-1.5 -1,-0.3 1,-0.2 -4,-0.0 -0.739 103.8 48.1-101.1 99.3 21.3 -0.2 12.3 72 82 A L H > S+ 0 0 1 -2,-1.0 4,-0.5 -3,-0.2 -1,-0.2 -0.317 115.8 46.9 175.0 -55.3 19.6 2.8 10.8 73 83 A V H >X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 3,-1.4 0.972 112.3 48.4 -65.0 -56.6 22.6 4.9 11.3 74 84 A D H 3X S+ 0 0 64 -4,-2.3 4,-0.8 1,-0.3 -1,-0.2 0.803 115.0 46.3 -60.6 -26.5 25.0 2.3 9.8 75 85 A T H 3> S+ 0 0 47 2,-0.2 4,-1.1 -5,-0.2 -1,-0.3 0.511 105.4 58.7 -95.1 -5.7 22.7 1.9 6.7 76 86 A T H XX S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.5 3,-1.6 0.952 105.7 49.3 -77.5 -53.0 22.2 5.6 6.2 77 87 A I H 3< S+ 0 0 61 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.813 117.9 44.0 -47.7 -34.7 26.1 5.9 5.8 78 88 A A H 3< S+ 0 0 80 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.703 115.9 43.4 -85.0 -25.8 25.6 3.0 3.3 79 89 A K H << S+ 0 0 77 -3,-1.6 2,-0.3 -4,-1.1 -2,-0.2 0.916 136.1 12.1 -76.8 -49.7 22.4 4.3 1.5 80 90 A H S < S- 0 0 19 -4,-2.8 2,-1.6 2,-0.1 -1,-0.4 -0.988 90.5-112.8-127.1 130.4 23.9 7.8 1.3 81 91 A G S S+ 0 0 66 -2,-0.3 2,-0.2 -3,-0.2 -4,-0.2 0.092 86.4 11.6 -61.6 26.4 27.7 8.4 2.1 82 92 A K - 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