==== 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 OXIDOREDUCTASE 23-DEC-04 2BGK . 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 . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 12.2 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 0.2 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 . 45 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 0 1 0 0 1 5 3 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 5 3 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 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 . 0 0 0 0 0 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 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 0 131 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-134.0 51.1 66.1 17.7 2 12 A N > + 0 0 74 1,-0.1 3,-1.0 28,-0.1 27,-0.1 -0.701 360.0 157.6-117.6 78.6 47.9 65.6 15.5 3 13 A R T 3 S+ 0 0 123 -2,-0.5 233,-0.5 1,-0.3 -1,-0.1 0.598 75.3 41.8 -69.1 -26.0 48.7 62.2 14.1 4 14 A L T > S+ 0 0 2 25,-1.9 3,-1.7 22,-0.2 -1,-0.3 -0.084 79.4 164.5-118.9 27.5 45.1 61.4 13.4 5 15 A Q T < S- 0 0 104 -3,-1.0 26,-0.2 1,-0.3 25,-0.1 -0.354 73.0 -1.1 -60.6 125.3 44.0 64.8 12.0 6 16 A D T 3 S+ 0 0 91 24,-1.7 -1,-0.3 1,-0.3 25,-0.1 0.177 97.6 135.0 81.8 -9.7 40.7 64.5 10.1 7 17 A K < - 0 0 20 -3,-1.7 25,-2.9 19,-0.1 2,-0.5 -0.329 48.0-140.4 -68.2 148.2 40.4 60.8 10.7 8 18 A V E -a 32 0A 3 23,-0.2 77,-2.1 -3,-0.1 76,-2.0 -0.968 22.6-173.5-114.2 128.7 37.0 59.4 11.8 9 19 A A E -ab 33 85A 0 23,-2.9 25,-2.7 -2,-0.5 2,-0.5 -0.935 19.5-155.9-123.4 140.3 37.0 56.6 14.4 10 20 A I E -ab 34 86A 0 75,-2.2 77,-3.1 -2,-0.4 2,-0.5 -0.962 14.3-171.1-107.3 135.0 34.5 54.3 16.0 11 21 A I E -ab 35 87A 0 23,-2.2 25,-2.4 -2,-0.5 3,-0.4 -0.972 4.5-161.8-124.4 113.0 35.4 52.9 19.4 12 22 A T E S+a 36 0A 2 75,-2.5 25,-0.2 -2,-0.5 23,-0.0 -0.490 77.4 36.3 -89.2 168.9 33.1 50.2 20.9 13 23 A G S > S+ 0 0 8 23,-0.6 3,-1.2 -2,-0.1 6,-0.6 0.873 76.4 159.6 57.1 37.4 33.2 49.5 24.7 14 24 A G T 3 + 0 0 0 22,-1.9 23,-0.1 -3,-0.4 9,-0.1 0.584 59.9 59.8 -72.8 -11.4 33.7 53.3 25.1 15 25 A A T 3 S+ 0 0 31 21,-0.2 -1,-0.2 4,-0.1 22,-0.1 0.586 93.2 84.0 -89.5 -13.9 32.6 53.5 28.8 16 26 A G S <> S- 0 0 35 -3,-1.2 4,-2.5 1,-0.0 5,-0.3 -0.251 97.3 -93.4 -79.6 175.5 35.3 51.1 29.9 17 27 A G H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.933 121.2 37.8 -56.6 -57.8 38.9 51.9 30.8 18 28 A I H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 117.3 52.4 -66.6 -41.1 40.6 51.3 27.4 19 29 A G H > S+ 0 0 0 -6,-0.6 4,-2.3 2,-0.2 -5,-0.2 0.946 112.5 43.1 -59.3 -53.0 37.7 52.7 25.4 20 30 A E H X S+ 0 0 48 -4,-2.5 4,-2.4 -7,-0.3 -2,-0.2 0.921 116.6 45.6 -61.7 -48.8 37.5 56.0 27.2 21 31 A T H X S+ 0 0 22 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.845 113.2 50.5 -68.6 -32.5 41.3 56.6 27.4 22 32 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.889 110.2 50.6 -70.3 -37.3 41.7 55.7 23.6 23 33 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.936 110.1 50.4 -62.3 -43.9 38.8 58.1 22.8 24 34 A K H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 112.9 46.3 -59.2 -41.9 40.6 60.8 24.8 25 35 A L H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.894 110.2 51.8 -69.8 -41.4 43.9 60.1 22.9 26 36 A F H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 -2,-0.2 0.893 110.2 48.9 -64.6 -39.4 42.2 60.1 19.5 27 37 A V H ><5S+ 0 0 36 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.932 109.6 53.3 -62.8 -46.0 40.5 63.5 20.1 28 38 A R H 3<5S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.5 52.6 -56.0 -34.5 44.0 64.8 21.3 29 39 A Y T 3<5S- 0 0 20 -4,-1.7 -25,-1.9 -27,-0.1 -1,-0.3 0.345 127.2 -99.4 -86.6 6.9 45.4 63.6 18.0 30 40 A G T < 5S+ 0 0 6 -3,-2.1 -24,-1.7 1,-0.3 -3,-0.2 0.569 74.8 139.6 92.3 11.1 42.8 65.4 16.0 31 41 A A < - 0 0 1 -5,-2.6 2,-0.5 -26,-0.2 -1,-0.3 -0.421 51.2-130.0 -86.5 157.5 40.3 62.6 15.2 32 42 A K E -a 8 0A 50 -25,-2.9 -23,-2.9 -28,-0.2 2,-0.4 -0.915 35.9-165.0 -99.9 131.8 36.5 62.7 15.2 33 43 A V E -ac 9 56A 0 22,-3.2 24,-1.4 -2,-0.5 2,-0.5 -0.960 24.4-159.4-130.0 143.0 35.3 59.8 17.3 34 44 A V E -ac 10 57A 0 -25,-2.7 -23,-2.2 -2,-0.4 2,-0.3 -0.968 18.8-155.8-117.2 111.0 32.0 58.0 17.8 35 45 A I E -ac 11 58A 0 22,-3.1 24,-2.6 -2,-0.5 2,-0.4 -0.653 11.8-169.7 -81.3 140.9 31.9 56.1 21.1 36 46 A A E +ac 12 59A 2 -25,-2.4 -22,-1.9 -2,-0.3 -23,-0.6 -0.998 18.4 138.6-136.1 138.0 29.5 53.1 21.4 37 47 A D E - c 0 60A 24 22,-1.1 24,-1.4 -2,-0.4 25,-0.1 -0.953 53.4-121.2-164.4 160.3 28.4 50.9 24.3 38 48 A I S S+ 0 0 81 -2,-0.3 2,-1.9 22,-0.2 3,-0.2 0.705 97.8 85.6 -77.3 -25.2 25.3 49.3 25.8 39 49 A A > + 0 0 32 1,-0.2 4,-1.7 22,-0.1 5,-0.1 -0.650 67.3 176.3 -78.2 86.2 25.8 51.3 29.0 40 50 A D H > + 0 0 72 -2,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.930 68.4 28.5 -68.3 -57.8 23.9 54.1 27.4 41 51 A D H > S+ 0 0 98 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.818 124.1 54.0 -73.3 -27.0 23.5 57.0 30.0 42 52 A H H > S+ 0 0 103 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.750 109.8 45.4 -73.4 -34.3 26.7 55.7 31.6 43 53 A G H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.735 111.1 50.5 -85.7 -29.9 28.7 55.9 28.3 44 54 A Q H X S+ 0 0 82 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.622 105.2 59.2 -81.6 -14.1 27.4 59.4 27.3 45 55 A K H < S+ 0 0 123 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.848 107.3 46.8 -70.4 -43.4 28.4 60.5 30.8 46 56 A V H X S+ 0 0 20 -4,-0.7 4,-1.1 1,-0.2 -2,-0.2 0.840 109.3 52.2 -66.3 -41.9 31.9 59.4 29.8 47 57 A C H X S+ 0 0 13 -4,-1.5 2,-1.6 1,-0.2 4,-1.4 0.812 97.9 70.9 -65.5 -32.5 31.7 61.2 26.4 48 58 A N H < S+ 0 0 135 -4,-1.0 -1,-0.2 1,-0.2 4,-0.1 -0.656 102.9 39.5 -86.4 77.5 30.7 64.3 28.4 49 59 A N H 4 S+ 0 0 109 -2,-1.6 -1,-0.2 2,-0.3 -2,-0.2 -0.163 106.7 61.0 175.3 -54.6 34.2 64.7 29.8 50 60 A I H < S- 0 0 23 -4,-1.1 2,-0.3 1,-0.1 -2,-0.2 0.954 112.3 -43.9 -61.6 -59.6 36.3 63.8 26.8 51 61 A G < - 0 0 31 -4,-1.4 -2,-0.3 5,-0.0 -1,-0.1 -0.899 66.1 -58.2-160.5-173.0 35.2 66.6 24.3 52 62 A S >> - 0 0 60 -2,-0.3 3,-1.9 -4,-0.1 4,-1.9 -0.415 52.7-104.6 -81.0 155.0 32.6 68.7 22.6 53 63 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.612 114.3 63.4 -61.6 -18.4 29.7 67.3 20.5 54 64 A D T 34 S+ 0 0 116 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.687 116.3 26.7 -78.0 -21.3 31.2 68.2 17.2 55 65 A V T <4 S+ 0 0 29 -3,-1.9 -22,-3.2 1,-0.3 2,-0.4 0.619 126.5 36.5-113.0 -23.4 34.2 65.9 17.6 56 66 A I E < +c 33 0A 2 -4,-1.9 -1,-0.3 -24,-0.2 2,-0.3 -0.998 61.1 164.4-136.0 140.1 32.9 63.2 19.9 57 67 A S E -c 34 0A 22 -24,-1.4 -22,-3.1 -2,-0.4 2,-0.4 -0.937 24.1-134.3-143.8 163.5 29.5 61.6 20.2 58 68 A F E -c 35 0A 32 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.982 15.7-177.4-122.9 129.1 28.0 58.5 21.8 59 69 A V E -c 36 0A 19 -24,-2.6 -22,-1.1 -2,-0.4 2,-0.3 -0.989 30.8-118.4-124.3 140.4 25.5 56.0 20.3 60 70 A H E +c 37 0A 70 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.546 42.4 170.5 -68.4 134.7 24.0 53.1 22.2 61 71 A C - 0 0 2 -24,-1.4 2,-0.7 -2,-0.3 -22,-0.1 -0.923 32.6-160.2-156.9 122.4 25.0 49.8 20.6 62 72 A D > - 0 0 47 -2,-0.3 3,-1.8 3,-0.1 7,-0.3 -0.938 20.3-152.6 -95.0 112.8 24.7 46.2 21.6 63 73 A V T 3 S+ 0 0 7 -2,-0.7 58,-0.2 1,-0.3 59,-0.2 0.556 90.0 63.9 -69.7 -8.6 27.4 44.6 19.4 64 74 A T T 3 S+ 0 0 27 57,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.410 90.4 80.9 -91.6 2.9 25.6 41.2 19.3 65 75 A K <> - 0 0 80 -3,-1.8 4,-2.1 1,-0.1 3,-0.3 -0.940 66.7-158.6-112.5 112.6 22.7 42.9 17.4 66 76 A D H > S+ 0 0 29 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.856 94.5 57.0 -56.0 -38.3 23.3 43.4 13.7 67 77 A E H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 107.4 47.8 -64.7 -39.2 20.7 46.2 13.7 68 78 A D H > S+ 0 0 21 -3,-0.3 4,-2.5 -6,-0.3 -2,-0.2 0.917 113.8 45.5 -67.9 -42.7 22.6 48.1 16.4 69 79 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.3 5,-0.2 0.897 112.4 51.3 -69.8 -37.8 26.1 47.8 14.7 70 80 A R H X S+ 0 0 103 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.943 112.0 48.9 -58.7 -44.2 24.5 48.7 11.3 71 81 A N H X S+ 0 0 64 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.903 109.6 51.5 -57.9 -50.8 23.0 51.8 13.1 72 82 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.901 115.9 39.8 -56.4 -46.3 26.4 52.7 14.6 73 83 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 115.1 49.7 -74.6 -45.1 28.2 52.6 11.3 74 84 A D H X S+ 0 0 70 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.877 110.4 52.3 -62.4 -35.6 25.6 54.2 9.2 75 85 A T H X S+ 0 0 51 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.865 108.5 50.8 -65.9 -38.5 25.3 57.1 11.7 76 86 A T H X S+ 0 0 1 -4,-1.4 4,-3.2 2,-0.2 5,-0.4 0.914 112.7 45.3 -67.8 -41.6 29.0 57.7 11.6 77 87 A I H X S+ 0 0 51 -4,-2.2 4,-2.0 3,-0.2 -2,-0.2 0.892 113.5 50.7 -66.6 -40.8 29.0 57.8 7.8 78 88 A A H < S+ 0 0 88 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.959 119.2 37.4 -61.7 -46.8 25.9 60.1 8.0 79 89 A K H < S+ 0 0 100 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.920 135.2 16.9 -67.3 -48.2 27.7 62.4 10.5 80 90 A H H < S- 0 0 44 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.506 88.6-126.1-114.3 -8.4 31.2 62.4 9.2 81 91 A G S < S+ 0 0 58 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.125 81.0 33.2 87.1 -21.3 31.3 61.1 5.6 82 92 A K - 0 0 60 -6,-0.4 2,-0.4 -73,-0.0 -2,-0.1 -0.966 62.8-133.9-157.3 165.8 33.8 58.3 6.2 83 93 A L + 0 0 10 -2,-0.3 -74,-0.2 46,-0.2 52,-0.1 -0.952 24.4 164.9-131.5 112.8 35.3 55.7 8.6 84 94 A D + 0 0 15 -76,-2.0 53,-1.8 -2,-0.4 2,-0.4 0.800 68.5 29.5 -89.9 -35.6 39.1 55.5 8.8 85 95 A I E -bd 9 137A 1 -77,-2.1 -75,-2.2 51,-0.2 2,-0.5 -0.985 53.8-170.3-133.9 132.1 39.4 53.5 12.1 86 96 A M E -bd 10 138A 0 51,-2.3 53,-3.0 -2,-0.4 2,-0.8 -0.980 7.9-167.4-120.6 117.9 37.3 50.8 13.8 87 97 A F E -bd 11 139A 0 -77,-3.1 -75,-2.5 -2,-0.5 2,-1.3 -0.877 6.3-160.3-106.3 101.1 38.4 49.9 17.2 88 98 A G E + d 0 140A 8 51,-2.4 53,-2.3 -2,-0.8 2,-0.1 -0.685 24.6 161.5 -80.4 93.2 36.5 46.8 18.2 89 99 A N + 0 0 19 -2,-1.3 2,-0.5 51,-0.2 -70,-0.2 -0.395 22.6 118.4-115.4 51.6 36.9 46.9 22.0 90 100 A V + 0 0 33 25,-0.1 2,-0.3 51,-0.1 29,-0.1 -0.963 23.7 143.3-123.8 127.3 34.2 44.6 23.5 91 101 A G - 0 0 38 -2,-0.5 2,-0.3 27,-0.1 20,-0.0 -0.969 23.9-162.7-154.0 136.3 35.1 41.6 25.6 92 102 A V - 0 0 33 -2,-0.3 2,-0.2 19,-0.2 23,-0.1 -0.906 16.8-125.6-121.3 153.7 33.4 40.1 28.6 93 103 A L - 0 0 123 -2,-0.3 2,-0.1 1,-0.1 60,-0.0 -0.582 36.2 -94.3 -87.1 156.2 34.6 37.7 31.2 94 104 A S - 0 0 24 -2,-0.2 -1,-0.1 1,-0.1 60,-0.1 -0.411 23.5-152.7 -65.0 147.9 32.9 34.4 32.2 95 105 A T S S+ 0 0 107 8,-0.1 -1,-0.1 9,-0.1 9,-0.0 0.116 73.4 71.3-109.6 18.4 30.5 34.7 35.2 96 106 A T S S- 0 0 48 1,-0.1 7,-0.2 8,-0.1 58,-0.1 -0.833 96.2 -70.6-124.5 168.6 30.9 31.0 36.2 97 107 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.101 35.8-119.3 -65.3 158.3 33.9 29.2 37.8 98 108 A Y S S+ 0 0 50 56,-0.1 57,-0.4 4,-0.1 5,-0.1 0.911 83.5 98.2 -59.1 -47.7 37.2 28.4 36.1 99 109 A S S >> S- 0 0 21 1,-0.1 4,-1.8 3,-0.1 3,-1.4 -0.142 75.5-134.5 -52.1 130.5 37.0 24.6 36.6 100 110 A I T 34 S+ 0 0 0 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.789 107.3 59.9 -54.3 -28.7 35.7 22.8 33.4 101 111 A L T 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.762 117.2 28.8 -70.7 -27.9 33.4 20.9 35.8 102 112 A E T <4 S+ 0 0 120 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.493 91.2 109.5-109.2 -6.7 31.7 24.0 37.0 103 113 A A < - 0 0 10 -4,-1.8 -2,-0.1 -7,-0.2 4,-0.1 0.739 68.3-136.5 -52.3 -40.4 32.1 26.2 33.9 104 114 A G > - 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