==== 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 03-JUL-09 3I52 . COMPND 2 MOLECULE: PUTATIVE LEUCOANTHOCYANIDIN REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: VITIS VINIFERA; . AUTHOR C.MAUGE,M.GARGOURI,B.L.D'ESTAINTOT,T.GRANIER,B.GALLOIS . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 1 1 0 0 1 1 1 2 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 G 0 0 65 0, 0.0 2,-0.3 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 80.4 26.3 6.0 22.4 2 12 A R - 0 0 88 61,-0.4 64,-2.6 23,-0.1 63,-1.9 -0.567 360.0-150.1 -81.5 135.4 23.7 8.3 24.0 3 13 A V E -ab 27 66A 0 23,-3.4 25,-3.6 -2,-0.3 2,-0.5 -0.903 9.3-164.0-111.0 131.1 20.0 7.8 22.8 4 14 A L E -ab 28 67A 3 62,-3.1 64,-2.5 -2,-0.4 2,-0.5 -0.978 10.6-166.1-109.6 125.0 17.3 10.5 22.6 5 15 A I E -ab 29 68A 0 23,-2.2 25,-1.7 -2,-0.5 3,-0.5 -0.959 5.4-161.7-114.9 116.0 13.8 9.2 22.3 6 16 A A E S+ b 0 69A 3 62,-2.1 64,-2.5 -2,-0.5 25,-0.1 -0.837 79.8 27.3 -91.5 132.3 10.8 11.4 21.3 7 17 A G > + 0 0 22 23,-0.5 3,-1.9 -2,-0.4 6,-0.5 0.685 69.1 151.7 92.6 24.9 7.4 10.0 22.2 8 18 A A T 3 S+ 0 0 2 -3,-0.5 9,-0.1 22,-0.4 10,-0.1 0.661 71.7 52.8 -66.9 -18.8 8.5 7.9 25.2 9 19 A T T 3 S+ 0 0 85 4,-0.1 -1,-0.3 5,-0.1 22,-0.0 0.463 93.6 98.7 -92.1 -4.0 5.0 8.2 27.0 10 20 A G S <> S- 0 0 28 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.213 93.3 -98.9 -74.4 173.2 3.4 6.9 23.8 11 21 A F H > S+ 0 0 36 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.940 123.0 30.6 -63.7 -49.7 2.3 3.4 23.2 12 22 A I H > S+ 0 0 36 58,-0.2 4,-2.0 2,-0.2 3,-0.4 0.907 117.0 59.5 -72.6 -41.5 5.3 2.3 21.1 13 23 A G H > S+ 0 0 0 -6,-0.5 4,-4.0 57,-0.4 5,-0.3 0.862 96.1 59.8 -55.2 -46.2 7.7 4.7 22.9 14 24 A Q H X S+ 0 0 79 -4,-2.4 4,-2.2 -7,-0.2 -1,-0.2 0.902 110.0 43.5 -50.5 -46.2 7.1 3.2 26.3 15 25 A F H X S+ 0 0 62 -4,-0.8 4,-2.2 -3,-0.4 -1,-0.2 0.900 116.7 46.2 -67.3 -42.0 8.4 -0.2 25.0 16 26 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.939 115.3 46.5 -68.4 -44.0 11.3 1.4 23.1 17 27 A A H X S+ 0 0 0 -4,-4.0 4,-1.7 1,-0.2 -2,-0.2 0.880 113.5 48.5 -63.6 -40.2 12.3 3.6 26.1 18 28 A T H X S+ 0 0 46 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.917 111.7 49.7 -65.9 -42.3 12.1 0.7 28.5 19 29 A A H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.911 107.2 54.0 -62.5 -46.3 14.2 -1.5 26.2 20 30 A S H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.3 0.924 111.3 45.2 -55.6 -47.8 16.9 1.1 25.8 21 31 A L H ><5S+ 0 0 18 -4,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.918 109.5 55.7 -62.9 -43.2 17.3 1.4 29.6 22 32 A D H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.778 104.5 54.3 -58.7 -29.8 17.2 -2.4 30.0 23 33 A A T 3<5S- 0 0 52 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.298 117.8-115.6 -87.1 5.8 20.2 -2.6 27.5 24 34 A H T < 5 + 0 0 173 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.870 63.0 151.2 62.4 39.7 22.1 -0.1 29.7 25 35 A R < - 0 0 43 -5,-1.9 2,-0.4 -23,-0.0 -1,-0.2 -0.859 58.3-104.7 -97.7 137.4 22.2 2.6 27.1 26 36 A P - 0 0 65 0, 0.0 -23,-3.4 0, 0.0 2,-0.5 -0.493 49.4-165.9 -59.7 119.3 22.4 6.3 28.2 27 37 A T E -a 3 0A 5 -2,-0.4 16,-2.4 14,-0.2 2,-0.4 -0.947 18.7-172.3-126.9 116.5 18.8 7.3 27.5 28 38 A Y E -ac 4 43A 17 -25,-3.6 -23,-2.2 -2,-0.5 2,-0.5 -0.852 13.6-154.7-103.3 135.8 17.4 10.9 27.3 29 39 A I E -ac 5 44A 0 14,-2.3 16,-1.8 -2,-0.4 2,-0.2 -0.953 11.7-131.3-124.6 122.0 13.7 11.2 27.0 30 40 A L E - c 0 45A 18 -25,-1.7 -23,-0.5 -2,-0.5 2,-0.4 -0.443 22.8-161.1 -71.9 132.3 12.0 14.2 25.5 31 41 A A E c 0 46A 4 14,-2.4 16,-1.7 -2,-0.2 -1,-0.0 -0.958 360.0 360.0-124.5 129.5 9.1 15.8 27.5 32 42 A R 0 0 223 -2,-0.4 16,-0.1 14,-0.2 -1,-0.0 -0.040 360.0 360.0 -70.6 360.0 6.3 18.1 26.3 33 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 54 A F > 0 0 101 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.7 8.0 9.0 33.2 35 55 A K H > + 0 0 45 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.947 360.0 45.1 -46.6 -60.0 8.3 8.0 36.9 36 56 A A H > S+ 0 0 77 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.836 116.3 47.1 -53.6 -39.8 9.0 4.3 36.0 37 57 A L H 4>S+ 0 0 10 2,-0.2 5,-2.3 1,-0.2 3,-0.5 0.895 112.7 48.5 -72.6 -40.0 11.5 5.4 33.3 38 58 A E H ><5S+ 0 0 115 -4,-3.6 3,-1.9 1,-0.2 -2,-0.2 0.930 108.0 54.5 -65.3 -42.7 13.2 7.9 35.6 39 59 A D H 3<5S+ 0 0 147 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.684 108.1 52.0 -62.8 -19.7 13.4 5.2 38.4 40 60 A K T 3<5S- 0 0 106 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.376 133.3 -86.5 -98.6 0.4 15.2 3.0 35.8 41 61 A G T < 5S+ 0 0 52 -3,-1.9 -14,-0.2 1,-0.3 -3,-0.2 0.323 71.8 150.7 119.1 -5.7 17.8 5.8 34.9 42 62 A A < - 0 0 7 -5,-2.3 2,-0.6 -8,-0.1 -1,-0.3 -0.243 38.0-140.2 -61.9 143.4 16.3 8.0 32.1 43 63 A I E -c 28 0A 82 -16,-2.4 -14,-2.3 2,-0.0 2,-0.4 -0.936 18.3-144.1-104.6 114.7 17.3 11.6 31.9 44 64 A I E +c 29 0A 34 -2,-0.6 2,-0.3 -16,-0.2 -14,-0.2 -0.637 20.3 179.7 -85.6 129.1 14.3 13.9 31.0 45 65 A V E -c 30 0A 15 -16,-1.8 -14,-2.4 -2,-0.4 2,-0.4 -0.967 22.1-124.3-130.9 147.5 14.9 16.8 28.8 46 66 A Y E +c 31 0A 169 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.777 51.4 84.6-108.5 131.9 12.2 19.3 27.6 47 67 A G - 0 0 15 -16,-1.7 2,-0.4 -2,-0.4 -2,-0.1 -0.933 59.7-101.2 166.6 172.7 11.2 20.4 24.1 48 68 A L > - 0 0 43 -2,-0.3 3,-1.4 3,-0.1 7,-0.2 -0.945 25.0-132.0-120.5 145.1 9.0 19.7 21.1 49 69 A I T 3 S+ 0 0 10 -2,-0.4 33,-0.2 1,-0.3 -1,-0.1 0.592 102.6 65.6 -75.7 -11.8 10.4 18.0 17.9 50 70 A N T 3 S+ 0 0 74 31,-0.2 2,-0.8 1,-0.1 -1,-0.3 0.422 82.5 85.8 -85.9 -3.4 8.8 20.7 15.6 51 71 A E <> - 0 0 89 -3,-1.4 4,-2.2 1,-0.2 3,-0.2 -0.844 61.6-171.1-100.9 97.3 11.1 23.4 17.1 52 72 A Q H > S+ 0 0 77 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.927 80.0 46.5 -57.5 -55.5 14.3 23.3 15.1 53 73 A E H > S+ 0 0 166 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.799 113.3 50.7 -61.5 -32.8 16.5 25.7 17.1 54 74 A A H > S+ 0 0 33 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 110.3 48.7 -73.9 -38.5 15.5 24.1 20.4 55 75 A M H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.896 109.0 53.9 -66.0 -39.8 16.3 20.5 19.1 56 76 A E H X S+ 0 0 53 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.940 107.8 50.8 -58.1 -46.2 19.7 21.7 17.8 57 77 A K H X S+ 0 0 106 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.918 113.2 45.8 -56.6 -44.1 20.4 23.0 21.3 58 78 A I H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 6,-0.3 0.906 112.0 47.7 -68.7 -48.4 19.4 19.7 22.9 59 79 A L H <>S+ 0 0 1 -4,-2.8 5,-1.5 1,-0.2 4,-0.5 0.903 118.5 43.3 -60.3 -41.7 21.3 17.4 20.5 60 80 A K H ><5S+ 0 0 103 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.934 116.4 44.9 -66.4 -53.8 24.5 19.7 20.9 61 81 A E H 3<5S+ 0 0 88 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.906 119.5 39.7 -63.4 -44.1 24.3 20.1 24.7 62 82 A H T 3<5S- 0 0 51 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.443 103.4-126.6 -92.9 4.1 23.6 16.5 25.6 63 83 A E T < 5 - 0 0 132 -3,-0.5 -61,-0.4 -4,-0.5 2,-0.2 0.876 37.0-166.1 55.2 45.8 26.0 15.0 23.0 64 84 A I < + 0 0 1 -5,-1.5 -1,-0.2 -6,-0.3 -61,-0.2 -0.423 23.2 175.5 -71.2 131.8 23.3 12.8 21.5 65 85 A D + 0 0 39 -63,-1.9 28,-2.2 1,-0.2 29,-1.3 0.773 67.1 37.3-101.4 -39.9 24.4 10.0 19.1 66 86 A I E -bd 3 94A 5 -64,-2.6 -62,-3.1 27,-0.2 2,-0.5 -0.950 61.5-166.1-126.2 131.9 21.1 8.2 18.3 67 87 A V E -bd 4 95A 0 27,-2.6 29,-2.6 -2,-0.4 2,-0.4 -0.985 4.5-174.9-120.8 128.6 17.6 9.7 17.8 68 88 A V E -bd 5 96A 0 -64,-2.5 -62,-2.1 -2,-0.5 2,-0.5 -0.992 8.2-160.0-122.1 118.0 14.5 7.5 17.9 69 89 A S E +b 6 0A 0 27,-3.2 30,-0.3 -2,-0.4 -62,-0.2 -0.878 20.4 166.8-102.2 127.8 11.2 9.1 17.0 70 90 A T + 0 0 12 -64,-2.5 -57,-0.4 -2,-0.5 -58,-0.2 -0.208 25.1 149.0-126.8 40.5 7.9 7.4 18.1 71 91 A V - 0 0 24 1,-0.1 -2,-0.0 4,-0.1 -65,-0.0 -0.422 47.8-100.2 -75.0 155.9 5.4 10.3 17.6 72 92 A G > - 0 0 30 -2,-0.1 3,-2.8 1,-0.1 4,-0.1 -0.107 33.8 -91.9 -80.3 173.8 1.9 9.5 16.5 73 93 A G T 3 S+ 0 0 28 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.639 124.3 53.5 -60.3 -19.5 0.1 9.5 13.2 74 94 A E T 3 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.411 110.9 46.9 -93.3 -2.7 -1.1 13.0 13.7 75 95 A S S X S+ 0 0 23 -3,-2.8 3,-0.9 1,-0.1 4,-0.3 0.110 72.3 114.1-124.0 20.8 2.4 14.3 14.3 76 96 A I G > S+ 0 0 1 -3,-0.4 3,-2.0 1,-0.3 22,-0.1 0.951 78.7 50.5 -61.7 -49.5 4.4 12.7 11.5 77 97 A L G > S+ 0 0 69 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.609 90.8 78.0 -67.9 -11.2 5.2 16.0 9.8 78 98 A D G <> S+ 0 0 55 -3,-0.9 4,-0.7 1,-0.3 3,-0.4 0.665 81.6 72.0 -66.0 -17.8 6.5 17.4 13.1 79 99 A Q H <> S+ 0 0 1 -3,-2.0 4,-1.9 -4,-0.3 -1,-0.3 0.556 76.4 79.1 -72.1 -11.0 9.6 15.3 12.3 80 100 A I H <> S+ 0 0 40 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.952 94.9 45.4 -63.7 -47.7 10.6 17.8 9.5 81 101 A A H > S+ 0 0 15 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.854 110.5 55.1 -59.6 -36.7 12.0 20.3 12.0 82 102 A L H X S+ 0 0 1 -4,-0.7 4,-2.2 -33,-0.2 -1,-0.2 0.900 108.2 48.4 -65.8 -41.5 13.8 17.4 13.9 83 103 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.944 110.2 50.0 -66.3 -47.9 15.6 16.3 10.6 84 104 A K H X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.877 111.2 51.6 -56.7 -39.1 16.7 19.8 9.7 85 105 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.897 110.2 47.3 -66.0 -42.6 18.0 20.1 13.3 86 106 A M H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 6,-0.4 0.893 110.4 52.4 -66.4 -38.8 20.0 16.8 13.0 87 107 A K H < S+ 0 0 121 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.940 110.4 50.0 -58.6 -46.1 21.4 17.9 9.6 88 108 A A H < S+ 0 0 63 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.7 45.2 -62.1 -44.5 22.6 21.2 11.2 89 109 A V H < S- 0 0 26 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.828 89.8-161.7 -73.4 -30.9 24.4 19.7 14.2 90 110 A G < + 0 0 61 -4,-1.9 -3,-0.1 -5,-0.2 -1,-0.1 0.364 60.0 97.4 75.7 -2.3 26.0 17.1 11.9 91 111 A T + 0 0 74 -5,-0.2 2,-0.4 -27,-0.1 -1,-0.1 0.248 44.2 125.7-103.3 10.6 27.0 14.6 14.6 92 112 A I - 0 0 12 -6,-0.4 -26,-0.2 1,-0.1 3,-0.1 -0.603 35.9-171.1 -83.4 129.5 24.1 12.0 14.5 93 113 A K S S+ 0 0 118 -28,-2.2 2,-0.3 -2,-0.4 -27,-0.2 0.692 71.8 8.1 -88.1 -26.0 25.1 8.4 14.1 94 114 A R E -d 66 0A 13 -29,-1.3 -27,-2.6 101,-0.1 2,-0.4 -0.886 55.0-166.2-160.5 132.1 21.6 7.0 13.6 95 115 A F E -de 67 134A 0 38,-2.3 40,-1.7 -2,-0.3 -27,-0.2 -0.981 2.3-171.0-112.5 124.7 18.0 8.3 13.1 96 116 A L E -d 68 0A 1 -29,-2.6 -27,-3.2 -2,-0.4 40,-0.1 -0.943 18.3-156.1-108.9 105.5 15.0 6.0 13.5 97 117 A P - 0 0 2 0, 0.0 2,-1.6 0, 0.0 40,-0.4 -0.327 38.6 -77.4 -74.0 167.4 12.0 7.9 12.4 98 118 A S S S+ 0 0 12 1,-0.2 -28,-0.1 -22,-0.1 -19,-0.1 -0.485 86.4 120.9 -71.6 89.9 8.4 7.1 13.5 99 119 A E + 0 0 7 -2,-1.6 3,-0.2 -30,-0.3 -1,-0.2 0.681 15.4 146.0-111.8 -90.2 7.8 4.1 11.3 100 120 A F + 0 0 19 37,-1.4 38,-0.2 -3,-0.3 2,-0.1 0.740 62.9 53.7 57.6 36.5 7.0 0.9 13.4 101 121 A G S S- 0 0 14 36,-0.8 39,-2.3 1,-0.3 -1,-0.2 -0.297 96.9 -10.1-153.2-120.8 4.6 -0.7 11.1 102 122 A H S S- 0 0 13 -3,-0.2 2,-1.2 37,-0.2 -1,-0.3 -0.465 75.4 -85.6 -91.6 168.4 4.5 -1.7 7.5 103 123 A D >> - 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