==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-SEP-05 2C29 . COMPND 2 MOLECULE: DIHYDROFLAVONOL 4-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VITIS VINIFERA; . AUTHOR P.PETIT,T.GRANIER,B.L.D'ESTAINTOT,S.HAMDI,B.GALLOIS . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 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 . 42 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 10 0 4 2 2 0 0 2 2 2 2 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 6 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 6 D E 0 0 89 0, 0.0 25,-3.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 178.9 96.3 50.2 23.4 2 7 D T E +a 26 0A 35 70,-0.2 72,-2.5 23,-0.2 73,-1.1 -0.858 360.0 170.4-113.2 112.6 92.7 50.2 22.3 3 8 D V E -ab 27 75A 0 23,-2.6 25,-2.7 -2,-0.6 2,-0.5 -0.835 25.9-135.1-122.1 149.5 89.9 51.7 24.5 4 9 D C E -ab 28 76A 0 71,-2.2 73,-3.2 -2,-0.3 2,-0.5 -0.888 12.9-166.5-101.0 132.6 86.3 52.6 24.1 5 10 D V E > -ab 29 77A 0 23,-2.2 25,-2.6 -2,-0.5 3,-0.6 -0.986 11.3-153.7-115.2 118.2 84.8 56.0 25.2 6 11 D T T 3 S+ 0 0 0 71,-2.4 73,-0.4 -2,-0.5 25,-0.1 -0.641 79.1 19.7 -85.7 151.1 81.1 56.1 25.4 7 12 D G T > S+ 0 0 19 -2,-0.3 3,-1.6 72,-0.2 6,-0.4 0.836 76.0 163.9 60.3 39.9 79.3 59.4 25.0 8 13 D A T < + 0 0 0 22,-1.9 9,-0.2 -3,-0.6 23,-0.1 0.603 61.4 66.1 -68.8 -18.1 82.5 60.8 23.4 9 14 D S T 3 S+ 0 0 15 21,-0.5 -1,-0.3 4,-0.1 33,-0.1 0.685 89.8 87.4 -75.5 -20.5 80.7 63.9 21.9 10 15 D G S <> S- 0 0 21 -3,-1.6 4,-2.8 184,-0.1 5,-0.3 0.055 95.6 -84.4 -81.4-171.6 80.0 65.4 25.4 11 16 D F H > S+ 0 0 15 1,-0.2 4,-0.8 2,-0.2 182,-0.3 0.922 125.9 21.9 -61.5 -54.0 81.8 67.7 27.9 12 17 D I H > S+ 0 0 27 2,-0.2 4,-2.7 3,-0.1 5,-0.2 0.870 121.6 59.7 -79.5 -45.0 83.9 65.0 29.6 13 18 D G H > S+ 0 0 1 -6,-0.4 4,-2.0 1,-0.2 -5,-0.2 0.904 107.5 43.9 -49.6 -49.6 83.8 62.5 26.8 14 19 D S H X S+ 0 0 0 -4,-2.8 4,-2.0 -7,-0.2 -1,-0.2 0.854 114.2 48.4 -74.7 -33.7 85.4 64.7 24.2 15 20 D W H X S+ 0 0 26 -4,-0.8 4,-2.5 -5,-0.3 5,-0.2 0.907 111.6 51.1 -70.4 -39.8 88.1 66.0 26.5 16 21 D L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.897 108.5 50.8 -61.0 -44.6 89.0 62.5 27.7 17 22 D V H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.948 110.1 51.8 -61.0 -45.2 89.3 61.3 24.0 18 23 D M H X S+ 0 0 22 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.938 113.5 41.9 -54.8 -51.1 91.6 64.2 23.4 19 24 D R H X S+ 0 0 53 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.857 114.0 53.7 -63.3 -38.1 93.9 63.4 26.3 20 25 D L H <>S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 4,-0.3 0.960 110.1 45.3 -61.5 -54.5 93.7 59.7 25.5 21 26 D L H ><5S+ 0 0 2 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.884 111.3 54.4 -54.9 -43.2 94.8 60.2 21.9 22 27 D E H 3<5S+ 0 0 107 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.864 104.6 54.6 -57.9 -40.1 97.6 62.6 23.1 23 28 D R T 3<5S- 0 0 153 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.456 126.9-101.3 -73.8 -4.1 98.8 59.8 25.4 24 29 D G T < 5S+ 0 0 35 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.532 72.0 144.7 98.6 6.9 99.1 57.4 22.4 25 30 D Y < - 0 0 9 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.3 -0.347 52.2-124.7 -72.3 153.6 95.9 55.4 22.8 26 31 D T E -a 2 0A 48 -25,-3.2 -23,-2.6 -2,-0.1 2,-0.5 -0.914 36.5-154.3 -91.7 126.4 93.7 54.0 20.0 27 32 D V E -ac 3 53A 0 25,-3.1 27,-2.2 -2,-0.5 2,-0.6 -0.930 21.3-165.7-115.7 128.1 90.2 55.4 20.7 28 33 D R E -ac 4 54A 46 -25,-2.7 -23,-2.2 -2,-0.5 2,-0.4 -0.943 22.2-162.9-104.0 102.5 86.8 54.0 19.7 29 34 D A E -ac 5 55A 0 25,-3.1 27,-2.4 -2,-0.6 2,-0.3 -0.747 2.4-151.7 -92.1 130.3 84.4 56.8 20.3 30 35 D T E + c 0 56A 2 -25,-2.6 -22,-1.9 -2,-0.4 -21,-0.5 -0.804 19.5 166.0-103.0 144.4 80.6 56.2 20.6 31 36 D V E - c 0 57A 5 25,-2.2 27,-2.3 -2,-0.3 9,-0.0 -0.933 39.4-129.8-143.9 159.1 77.9 58.6 19.7 32 37 D R S S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.3 27,-0.1 0.854 101.8 27.2 -76.6 -39.2 74.1 58.3 19.2 33 38 D D > - 0 0 63 1,-0.1 3,-1.4 3,-0.1 -1,-0.3 -0.840 57.2-178.8-132.5 94.3 74.2 60.2 15.8 34 39 D P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.665 83.6 66.1 -61.0 -18.4 77.4 60.3 13.7 35 40 D T T 3 S+ 0 0 115 4,-0.0 2,-0.7 5,-0.0 5,-0.0 0.644 75.7 100.8 -78.0 -15.1 75.7 62.5 11.1 36 41 D N X> - 0 0 64 -3,-1.4 4,-1.3 1,-0.2 3,-0.6 -0.644 56.5-166.2 -77.2 112.7 75.4 65.4 13.7 37 42 D V H 3> S+ 0 0 97 -2,-0.7 4,-2.2 1,-0.2 5,-0.3 0.821 86.9 56.0 -69.3 -35.4 78.3 67.8 12.8 38 43 D K H 34 S+ 0 0 55 1,-0.2 157,-0.6 2,-0.2 -1,-0.2 0.695 112.0 45.7 -69.3 -19.2 78.0 69.7 16.1 39 44 D K H <4 S+ 0 0 80 -3,-0.6 -2,-0.2 -6,-0.2 -1,-0.2 0.757 125.4 25.0 -92.6 -29.3 78.5 66.4 17.9 40 45 D V H >X S+ 0 0 9 -4,-1.3 4,-2.3 2,-0.1 3,-0.7 0.615 96.5 81.4-114.7 -18.1 81.4 64.9 16.0 41 46 D K H 3X S+ 0 0 107 -4,-2.2 4,-1.9 1,-0.3 -3,-0.1 0.883 92.9 53.4 -64.2 -38.4 83.4 67.8 14.3 42 47 D H H 34 S+ 0 0 20 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.744 111.2 47.9 -68.7 -22.6 85.4 68.5 17.5 43 48 D L H X4 S+ 0 0 0 -3,-0.7 3,-1.3 2,-0.1 -2,-0.2 0.889 111.7 47.7 -78.3 -47.1 86.4 64.9 17.7 44 49 D L H 3< S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 6,-0.2 0.770 104.6 62.5 -65.6 -27.7 87.4 64.6 14.1 45 50 D D T 3< S+ 0 0 104 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.441 81.4 108.9 -74.8 -4.2 89.5 67.8 14.4 46 51 D L S X S- 0 0 19 -3,-1.3 3,-1.8 -5,-0.1 4,-0.3 -0.457 82.0-100.6 -77.6 148.1 91.8 66.2 17.0 47 52 D P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.529 111.0 21.9 -71.1 136.3 95.3 65.4 16.2 48 53 D K T 3> S+ 0 0 87 -2,-0.2 4,-3.6 -4,-0.1 5,-0.4 0.318 87.4 121.0 83.1 2.0 95.7 61.6 15.4 49 54 D A H <> S+ 0 0 6 -3,-1.8 4,-1.6 1,-0.2 -4,-0.1 0.928 70.9 52.8 -59.2 -44.2 92.0 61.4 14.7 50 55 D E H 4 S+ 0 0 204 -4,-0.3 -1,-0.2 1,-0.2 -5,-0.0 0.871 125.1 24.9 -58.9 -38.1 92.6 60.2 11.1 51 56 D T H 4 S+ 0 0 108 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.686 133.9 28.2-100.6 -25.7 94.9 57.4 12.3 52 57 D H H < S+ 0 0 50 -4,-3.6 -25,-3.1 1,-0.1 2,-0.4 0.368 101.3 78.3-125.3 5.3 93.8 56.6 15.9 53 58 D L E < +c 27 0A 17 -4,-1.6 2,-0.3 -5,-0.4 -25,-0.2 -0.978 46.2 177.3-125.0 127.1 90.1 57.5 16.2 54 59 D T E -c 28 0A 66 -27,-2.2 -25,-3.1 -2,-0.4 2,-0.4 -0.910 20.0-137.6-120.2 153.8 87.1 55.6 15.1 55 60 D L E -c 29 0A 56 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.882 16.7-171.2-111.5 142.9 83.4 56.4 15.5 56 61 D W E -c 30 0A 76 -27,-2.4 -25,-2.2 -2,-0.4 2,-0.5 -0.998 20.0-131.6-138.2 134.7 80.7 54.0 16.5 57 62 D K E +c 31 0A 139 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.751 43.9 144.3 -89.0 128.3 76.9 54.5 16.6 58 63 D A - 0 0 10 -27,-2.3 2,-0.4 -2,-0.5 8,-0.1 -0.968 30.8-160.4-164.6 147.3 75.3 53.3 19.9 59 64 D D > - 0 0 51 -2,-0.3 3,-1.7 3,-0.2 6,-0.3 -0.995 23.4-136.3-133.2 135.9 72.4 54.1 22.3 60 65 D L T 3 S+ 0 0 21 -2,-0.4 44,-0.1 1,-0.3 4,-0.1 0.747 103.5 66.2 -59.2 -27.5 72.1 52.9 25.9 61 66 D A T 3 S+ 0 0 65 2,-0.1 2,-0.5 39,-0.1 -1,-0.3 0.550 89.0 79.3 -72.9 -9.2 68.4 52.2 25.3 62 67 D D S X S- 0 0 95 -3,-1.7 3,-1.8 35,-0.1 4,-0.2 -0.900 85.1-120.8-108.7 120.6 69.3 49.4 22.8 63 68 D E T 3 S+ 0 0 111 -2,-0.5 -2,-0.1 1,-0.3 38,-0.1 -0.280 93.8 1.3 -58.0 136.4 70.3 45.9 24.0 64 69 D G T > S+ 0 0 36 1,-0.1 3,-1.9 -4,-0.1 4,-0.4 0.410 85.6 133.9 70.1 1.7 73.7 44.9 22.8 65 70 D S T < S+ 0 0 35 -3,-1.8 4,-0.3 -6,-0.3 3,-0.1 0.646 72.1 48.7 -63.6 -15.5 74.4 48.2 21.0 66 71 D F T 3> S+ 0 0 9 -4,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.409 82.2 97.8-101.2 -0.1 78.0 48.5 22.4 67 72 D D H <> S+ 0 0 76 -3,-1.9 4,-2.5 1,-0.2 -1,-0.1 0.919 85.9 43.5 -52.5 -50.6 79.1 45.0 21.7 68 73 D E H 4 S+ 0 0 59 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.943 114.2 48.0 -66.8 -49.9 80.9 45.8 18.4 69 74 D A H 4 S+ 0 0 2 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 117.5 43.8 -58.8 -33.7 82.7 49.0 19.7 70 75 D I H >< S+ 0 0 0 -4,-2.2 3,-2.4 2,-0.1 -2,-0.2 0.817 87.3 98.5 -84.9 -35.3 83.8 47.1 22.9 71 76 D K T 3< S+ 0 0 145 -4,-2.5 3,-0.1 1,-0.3 42,-0.1 -0.369 94.3 20.4 -52.5 125.7 84.9 43.8 21.2 72 77 D G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 40,-0.3 -70,-0.2 0.099 96.0 127.0 100.0 -22.3 88.7 44.1 20.8 73 78 D C < - 0 0 0 -3,-2.4 -1,-0.3 1,-0.1 -70,-0.2 -0.458 48.3-160.3 -75.8 142.6 89.2 46.8 23.5 74 79 D T S S+ 0 0 35 -72,-2.5 42,-2.2 1,-0.2 43,-0.9 0.548 81.3 18.1 -86.1 -19.2 91.6 46.5 26.4 75 80 D G E -bd 3 117A 0 -73,-1.1 -71,-2.2 40,-0.2 2,-0.4 -0.992 62.8-154.6-155.1 152.7 89.7 49.2 28.3 76 81 D V E -bd 4 118A 0 41,-1.6 43,-3.0 -2,-0.3 2,-0.5 -1.000 2.8-163.1-135.4 132.5 86.3 50.9 28.5 77 82 D F E -bd 5 119A 0 -73,-3.2 -71,-2.4 -2,-0.4 2,-1.0 -0.981 11.5-158.6-111.3 114.1 85.3 54.4 29.8 78 83 D H E + d 0 120A 2 41,-2.9 43,-2.2 -2,-0.5 -71,-0.1 -0.809 37.7 140.8-100.3 97.0 81.6 54.6 30.3 79 84 D V + 0 0 20 -2,-1.0 -72,-0.2 -73,-0.4 -1,-0.2 0.663 34.1 106.6-110.7 -29.0 80.9 58.3 30.3 80 85 D A + 0 0 18 -3,-0.3 -73,-0.1 -67,-0.0 41,-0.1 -0.242 39.8 151.5 -62.3 140.3 77.6 58.4 28.3 81 86 D T - 0 0 32 -74,-0.1 2,-0.5 20,-0.0 17,-0.0 -0.941 50.5 -97.9-165.0 148.1 74.4 59.2 30.2 82 87 D P - 0 0 32 0, 0.0 79,-0.1 0, 0.0 16,-0.1 -0.600 34.9-170.8 -66.6 117.6 70.9 60.7 29.7 83 88 D M + 0 0 70 -2,-0.5 2,-0.5 2,-0.0 75,-0.1 0.215 34.4 130.2-105.1 14.3 71.1 64.3 31.1 84 89 D D + 0 0 75 9,-0.2 3,-0.3 1,-0.2 74,-0.0 -0.560 25.7 176.2 -74.6 120.3 67.5 65.5 31.1 85 90 D F S S+ 0 0 47 -2,-0.5 70,-0.3 1,-0.2 72,-0.2 0.553 80.0 56.0 -90.0 -14.1 66.4 67.1 34.4 86 91 D E S S+ 0 0 138 68,-0.1 2,-0.2 69,-0.1 -1,-0.2 -0.071 72.2 145.7-114.8 31.4 63.0 68.0 33.0 87 92 D S - 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