==== 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 04-DEC-06 2O4U . COMPND 2 MOLECULE: DIMERIC DIHYDRODIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA FASCICULARIS; . AUTHOR V.CARBONE,O.EL-KABBANI . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 12.4 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 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 0 0 0 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 1002 X A 0 0 54 0, 0.0 2,-0.5 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 153.9 -31.9 -40.4 -21.5 2 1003 X L E -a 28 0A 14 25,-3.4 27,-2.7 65,-0.0 2,-0.7 -0.693 360.0-142.0 -77.1 122.0 -29.3 -38.4 -19.6 3 1004 X R E -a 29 0A 71 -2,-0.5 64,-2.4 25,-0.2 65,-2.0 -0.790 17.5-160.6 -96.7 113.2 -25.9 -39.3 -21.2 4 1005 X W E -ab 30 68A 0 25,-3.2 27,-2.3 -2,-0.7 28,-1.2 -0.703 11.3-161.0 -98.5 137.0 -23.0 -39.6 -18.8 5 1006 X G E -ab 32 69A 0 63,-2.8 65,-2.8 -2,-0.3 2,-0.6 -0.967 17.3-142.2-109.3 134.0 -19.3 -39.4 -19.4 6 1007 X I E -ab 33 70A 0 26,-2.8 28,-2.7 -2,-0.4 2,-0.6 -0.853 7.7-157.0-102.4 120.3 -17.1 -40.9 -16.7 7 1008 X V E +ab 34 71A 0 63,-2.8 65,-2.3 -2,-0.6 28,-0.2 -0.879 65.1 6.6-101.6 118.5 -13.8 -39.1 -15.9 8 1009 X S - 0 0 11 26,-2.5 26,-0.2 -2,-0.6 27,-0.1 0.209 65.4-127.8 80.5 154.0 -11.2 -41.4 -14.2 9 1010 X V + 0 0 16 24,-0.1 -1,-0.1 4,-0.1 26,-0.1 0.054 62.7 121.0-123.4 22.7 -11.4 -45.1 -13.7 10 1011 X G S > S- 0 0 30 62,-0.1 4,-1.9 3,-0.0 5,-0.1 0.108 80.6 -72.5 -77.5-165.7 -10.6 -45.4 -9.9 11 1012 X L H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 266,-0.3 0.878 128.6 46.2 -63.4 -44.0 -12.7 -46.8 -7.0 12 1013 X I H > S+ 0 0 35 60,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.889 112.2 50.7 -70.3 -38.4 -15.3 -44.1 -6.8 13 1014 X S H > S+ 0 0 0 59,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.850 108.5 54.1 -64.3 -36.1 -15.9 -44.0 -10.6 14 1015 X S H X S+ 0 0 17 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.937 111.6 44.2 -60.6 -48.6 -16.3 -47.8 -10.5 15 1016 X D H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 114.9 47.8 -61.2 -50.2 -19.0 -47.4 -7.8 16 1017 X F H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.912 113.0 48.0 -61.1 -43.7 -20.8 -44.5 -9.6 17 1018 X T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.937 110.6 51.8 -60.2 -48.6 -20.8 -46.3 -12.9 18 1019 X A H < S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.1 47.5 -53.7 -44.2 -22.1 -49.5 -11.3 19 1020 X V H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 4,-0.4 0.926 108.8 51.9 -63.5 -48.7 -24.9 -47.4 -9.8 20 1021 X L H >< S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.845 104.3 59.5 -57.2 -34.8 -25.8 -45.6 -13.0 21 1022 X Q T 3< S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.395 99.0 57.5 -80.7 3.4 -26.1 -49.0 -14.7 22 1023 X T T < S+ 0 0 56 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.465 91.6 96.0 -98.7 -8.9 -28.8 -50.1 -12.3 23 1024 X L S < S- 0 0 17 -3,-1.3 5,-0.1 -4,-0.4 4,-0.0 -0.385 94.3 -71.2 -87.1 161.7 -31.0 -47.1 -13.3 24 1025 X P >> - 0 0 56 0, 0.0 3,-2.1 0, 0.0 4,-2.1 -0.211 39.7-137.8 -55.3 130.7 -33.9 -47.0 -15.8 25 1026 X R T 34 S+ 0 0 225 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.700 103.3 58.1 -65.4 -20.2 -32.4 -47.3 -19.3 26 1027 X S T 34 S+ 0 0 91 1,-0.1 -1,-0.3 -25,-0.1 3,-0.1 0.570 113.3 40.7 -82.3 -9.0 -34.7 -44.6 -20.6 27 1028 X E T <4 S+ 0 0 50 -3,-2.1 -25,-3.4 1,-0.3 2,-0.4 0.794 119.5 24.4-109.2 -40.5 -33.4 -42.2 -17.9 28 1029 X H E < +a 2 0A 9 -4,-2.1 2,-0.4 -27,-0.3 -1,-0.3 -0.995 54.3 178.4-134.2 138.1 -29.6 -42.7 -17.7 29 1030 X Q E -a 3 0A 94 -27,-2.7 -25,-3.2 -2,-0.4 2,-0.8 -0.992 22.9-143.1-136.6 132.7 -26.9 -44.0 -20.2 30 1031 X V E +a 4 0A 13 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.1 -0.830 30.6 166.2 -93.0 108.0 -23.2 -44.2 -19.6 31 1032 X V E + 0 0 10 -27,-2.3 21,-0.5 -2,-0.8 2,-0.3 0.616 53.5 15.1-103.3 -15.5 -21.8 -43.3 -23.1 32 1033 X A E -ac 5 52A 0 -28,-1.2 -26,-2.8 19,-0.1 2,-0.3 -0.996 50.4-163.4-160.8 151.3 -18.1 -42.7 -22.5 33 1034 X V E -ac 6 53A 0 19,-1.6 21,-2.2 -2,-0.3 2,-0.4 -0.993 8.8-163.6-139.2 143.4 -15.2 -43.1 -20.1 34 1035 X A E +ac 7 54A 0 -28,-2.7 -26,-2.5 -2,-0.3 2,-0.3 -0.983 10.5 170.5-127.1 144.2 -11.8 -41.4 -19.9 35 1036 X A - 0 0 1 19,-1.8 3,-0.0 -2,-0.4 -2,-0.0 -0.805 52.3 -96.8-132.6 176.1 -8.6 -42.3 -18.1 36 1037 X R S S+ 0 0 177 -2,-0.3 2,-0.3 20,-0.1 19,-0.1 0.510 112.0 32.5 -79.5 -1.2 -5.1 -40.9 -18.3 37 1038 X D S > S- 0 0 68 17,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.979 79.4-125.0-148.0 152.7 -4.2 -43.8 -20.7 38 1039 X L H > S+ 0 0 81 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.848 106.5 58.0 -57.7 -42.5 -6.2 -45.7 -23.3 39 1040 X S H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 108.1 44.4 -56.6 -54.9 -5.4 -49.2 -21.8 40 1041 X R H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 116.3 49.0 -54.9 -42.2 -6.9 -48.4 -18.4 41 1042 X A H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.931 109.4 49.9 -67.1 -48.2 -10.0 -46.7 -20.1 42 1043 X K H X S+ 0 0 126 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.888 110.9 50.5 -56.9 -43.3 -10.6 -49.7 -22.5 43 1044 X E H X S+ 0 0 137 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.906 112.9 45.1 -63.2 -45.5 -10.5 -52.2 -19.6 44 1045 X F H X S+ 0 0 12 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.930 112.4 52.0 -61.7 -47.0 -13.0 -50.1 -17.5 45 1046 X A H X>S+ 0 0 10 -4,-3.0 5,-2.6 2,-0.2 4,-0.5 0.842 112.6 46.4 -60.6 -35.0 -15.2 -49.7 -20.6 46 1047 X Q H ><5S+ 0 0 160 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.956 114.0 46.0 -71.1 -50.7 -15.1 -53.4 -21.1 47 1048 X K H 3<5S+ 0 0 161 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.870 123.3 35.4 -57.1 -39.4 -15.8 -54.4 -17.5 48 1049 X H H 3<5S- 0 0 18 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.356 109.5-118.1-104.7 3.4 -18.6 -51.8 -17.2 49 1050 X D T <<5 + 0 0 131 -3,-0.7 -3,-0.2 -4,-0.5 -19,-0.1 0.941 52.6 160.0 63.9 56.6 -20.0 -52.1 -20.7 50 1051 X I < - 0 0 9 -5,-2.6 -1,-0.2 -8,-0.1 -19,-0.1 -0.942 37.4-142.9-114.0 125.2 -19.4 -48.6 -22.0 51 1052 X P S S+ 0 0 113 0, 0.0 2,-0.4 0, 0.0 -19,-0.1 0.742 80.6 44.6 -62.9 -27.3 -19.4 -48.1 -25.8 52 1053 X K E -c 32 0A 106 -21,-0.5 -19,-1.6 -7,-0.0 2,-0.4 -0.971 59.8-175.7-127.9 134.5 -16.6 -45.4 -25.9 53 1054 X A E -c 33 0A 22 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.966 5.7-167.9-125.1 143.1 -13.2 -45.2 -24.2 54 1055 X Y E -c 34 0A 28 -21,-2.2 -19,-1.8 -2,-0.4 -17,-0.2 -0.956 23.7-144.5-131.7 149.4 -10.7 -42.3 -24.3 55 1056 X G S S+ 0 0 18 -2,-0.3 2,-0.3 -21,-0.2 -17,-0.2 0.259 87.1 39.5 -96.1 8.0 -7.0 -42.0 -23.2 56 1057 X S S > S- 0 0 38 -19,-0.1 4,-0.9 1,-0.1 -20,-0.1 -0.983 74.5-128.6-148.1 158.1 -7.4 -38.3 -22.1 57 1058 X Y H > S+ 0 0 30 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 0.859 107.4 62.9 -72.2 -35.8 -10.1 -36.3 -20.3 58 1059 X E H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 99.0 56.1 -56.9 -40.0 -10.0 -33.6 -23.0 59 1060 X E H 4 S+ 0 0 92 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.865 109.3 45.1 -58.7 -41.2 -11.2 -36.2 -25.5 60 1061 X L H >< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.4 6,-0.2 0.905 109.5 55.2 -69.0 -43.2 -14.3 -37.0 -23.3 61 1062 X A H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.883 110.5 47.8 -53.3 -38.7 -15.0 -33.3 -22.8 62 1063 X K T 3< S+ 0 0 138 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.537 81.8 113.9 -85.0 -7.7 -15.0 -33.0 -26.6 63 1064 X D X - 0 0 15 -3,-1.2 3,-1.4 -4,-0.4 -3,-0.0 -0.527 57.5-153.5 -65.1 115.4 -17.4 -36.0 -27.2 64 1065 X P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.719 90.5 62.2 -66.2 -18.6 -20.6 -34.5 -28.6 65 1066 X N T 3 S+ 0 0 78 -34,-0.1 2,-0.5 2,-0.0 -34,-0.1 0.633 83.8 90.6 -79.6 -15.7 -22.6 -37.4 -27.2 66 1067 X V < + 0 0 5 -3,-1.4 -62,-0.2 -6,-0.2 3,-0.1 -0.726 44.2 172.7 -86.2 125.7 -21.8 -36.7 -23.5 67 1068 X E S S+ 0 0 77 -64,-2.4 24,-2.3 -2,-0.5 2,-0.4 0.781 70.5 23.8 -95.4 -40.3 -24.3 -34.3 -21.8 68 1069 X V E -bd 4 91A 0 -65,-2.0 -63,-2.8 22,-0.2 2,-0.5 -0.995 68.8-148.9-132.2 133.5 -22.9 -34.5 -18.2 69 1070 X A E -bd 5 92A 0 22,-2.8 24,-2.8 -2,-0.4 2,-0.6 -0.879 5.3-150.6-102.0 132.1 -19.4 -35.4 -17.0 70 1071 X Y E -bd 6 93A 0 -65,-2.8 -63,-2.8 -2,-0.5 2,-0.8 -0.917 12.3-154.5 -95.7 119.2 -18.8 -37.2 -13.6 71 1072 X V E +bd 7 94A 0 22,-2.6 24,-2.5 -2,-0.6 -63,-0.1 -0.842 26.8 160.7-102.1 104.9 -15.4 -36.1 -12.3 72 1073 X G + 0 0 7 -65,-2.3 -59,-0.3 -2,-0.8 -60,-0.2 0.070 27.6 130.3-111.2 24.3 -14.1 -38.9 -10.0 73 1074 X T - 0 0 11 1,-0.1 5,-0.1 4,-0.1 22,-0.1 -0.117 69.2 -77.6 -70.8 171.1 -10.4 -38.0 -10.0 74 1075 X Q >> - 0 0 78 1,-0.1 3,-1.6 3,-0.1 4,-0.6 -0.293 59.3 -90.7 -61.9 161.2 -8.2 -37.7 -6.8 75 1076 X H G >4 S+ 0 0 12 93,-0.4 3,-1.2 1,-0.3 4,-0.4 0.802 123.4 46.5 -47.9 -52.8 -8.7 -34.4 -4.9 76 1077 X P G 34 S+ 0 0 19 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.723 109.8 56.7 -68.5 -17.8 -6.0 -32.2 -6.6 77 1078 X Q G <> S+ 0 0 58 -3,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.480 83.1 85.2 -91.2 -6.5 -7.1 -33.3 -10.1 78 1079 X H H S+ 0 0 58 -4,-0.4 4,-2.8 -3,-0.2 5,-0.2 0.903 108.6 42.9 -59.3 -50.9 -10.2 -28.6 -10.8 80 1081 X A H > S+ 0 0 66 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.895 116.5 49.2 -63.1 -39.6 -8.5 -29.0 -14.2 81 1082 X A H X S+ 0 0 3 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.922 113.2 46.3 -68.1 -44.4 -10.9 -31.9 -15.2 82 1083 X V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.943 112.2 51.3 -57.6 -49.3 -14.0 -29.8 -14.2 83 1084 X M H X S+ 0 0 39 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.887 109.6 50.5 -59.8 -42.2 -12.6 -26.7 -16.1 84 1085 X L H X S+ 0 0 55 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.907 112.4 46.3 -55.0 -50.7 -12.0 -28.9 -19.2 85 1086 X C H <>S+ 0 0 1 -4,-2.1 5,-2.5 2,-0.2 -2,-0.2 0.902 113.9 46.6 -64.2 -45.0 -15.5 -30.2 -19.2 86 1087 X L H ><5S+ 0 0 0 -4,-2.7 3,-1.8 3,-0.2 -1,-0.2 0.892 108.9 55.1 -63.7 -44.0 -17.2 -26.8 -18.6 87 1088 X A H 3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.3 50.8 -58.3 -31.1 -15.1 -25.2 -21.3 88 1089 X A T 3<5S- 0 0 37 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.355 124.7-103.1 -90.8 5.4 -16.4 -27.8 -23.7 89 1090 X G T < 5S+ 0 0 35 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.688 72.2 139.9 85.9 21.1 -20.1 -27.2 -22.8 90 1091 X K < - 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