==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-AUG-10 3OHS . COMPND 2 MOLECULE: TRANS-1,2-DIHYDROBENZENE-1,2-DIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA FASCICULARIS; . AUTHOR H.-T.ZHAO,O.EL-KABBANI . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 72.2 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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.2 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 0 1 0 0 0 2 2 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 52 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 147.7 -31.3 -40.5 -21.6 2 1003 X L E -a 28 0A 14 25,-2.9 27,-3.0 1,-0.1 2,-0.8 -0.584 360.0-139.0 -71.8 122.2 -28.8 -38.4 -19.7 3 1004 X R E -a 29 0A 71 -2,-0.4 64,-2.4 25,-0.2 65,-1.8 -0.786 19.7-160.9 -96.0 108.1 -25.4 -39.2 -21.3 4 1005 X W E -ab 30 68A 0 25,-2.9 27,-2.5 -2,-0.8 28,-1.1 -0.630 10.8-161.7 -90.7 142.6 -22.6 -39.5 -18.8 5 1006 X G E -ab 32 69A 0 63,-2.5 65,-2.7 -2,-0.3 2,-0.6 -0.979 16.4-141.4-118.2 130.8 -18.8 -39.3 -19.3 6 1007 X I E -ab 33 70A 0 26,-3.2 28,-2.7 -2,-0.4 2,-0.7 -0.842 9.4-160.5-101.8 119.6 -16.6 -40.7 -16.7 7 1008 X V E +ab 34 71A 0 63,-2.8 65,-2.2 -2,-0.6 28,-0.2 -0.859 64.1 8.0-101.8 111.5 -13.4 -38.9 -15.8 8 1009 X S - 0 0 8 26,-2.9 27,-0.1 -2,-0.7 26,-0.1 0.227 65.3-129.4 94.2 140.9 -10.8 -41.0 -14.1 9 1010 X V + 0 0 17 4,-0.1 -1,-0.1 24,-0.1 26,-0.1 0.080 60.0 121.4-114.8 26.6 -10.9 -44.8 -13.5 10 1011 X G S > S- 0 0 32 62,-0.2 4,-2.1 1,-0.0 5,-0.1 0.100 80.5 -75.4 -74.1-168.6 -10.2 -45.1 -9.8 11 1012 X L H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 266,-0.3 0.841 128.5 48.2 -61.8 -39.4 -12.3 -46.7 -7.1 12 1013 X I H > S+ 0 0 35 60,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.925 111.6 49.2 -74.6 -38.2 -14.8 -44.0 -6.7 13 1014 X S H > S+ 0 0 0 59,-0.3 4,-2.8 2,-0.2 5,-0.2 0.875 109.5 55.8 -62.3 -34.8 -15.4 -43.7 -10.5 14 1015 X S H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.949 110.4 43.2 -59.5 -51.3 -15.8 -47.5 -10.4 15 1016 X D H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.902 115.1 48.5 -61.5 -45.1 -18.5 -47.3 -7.8 16 1017 X F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.916 111.9 49.3 -66.7 -43.7 -20.3 -44.4 -9.5 17 1018 X T H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.925 110.2 51.0 -58.8 -43.0 -20.2 -46.1 -12.9 18 1019 X A H < S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 111.7 49.1 -62.9 -41.9 -21.6 -49.4 -11.4 19 1020 X V H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-0.3 0.944 108.5 50.8 -60.0 -50.8 -24.4 -47.3 -9.8 20 1021 X L H >< S+ 0 0 3 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.827 104.6 59.8 -59.1 -30.8 -25.3 -45.5 -13.0 21 1022 X Q T 3< S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.470 99.5 57.2 -80.4 5.4 -25.5 -48.9 -14.8 22 1023 X T T < S+ 0 0 55 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.423 91.6 92.9-105.8 -3.8 -28.3 -50.0 -12.4 23 1024 X L S < S- 0 0 15 -3,-1.3 5,-0.1 -4,-0.3 4,-0.0 -0.469 95.8 -68.6 -90.5 167.4 -30.5 -47.1 -13.3 24 1025 X P >> - 0 0 54 0, 0.0 4,-2.4 0, 0.0 3,-1.6 -0.162 40.1-137.4 -62.0 137.3 -33.2 -47.0 -16.0 25 1026 X R T 34 S+ 0 0 220 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.752 103.9 55.3 -69.2 -20.3 -31.7 -47.2 -19.4 26 1027 X S T 34 S+ 0 0 93 1,-0.1 -1,-0.3 -25,-0.1 3,-0.1 0.562 114.0 42.3 -88.0 -9.6 -34.0 -44.6 -20.8 27 1028 X E T <4 S+ 0 0 55 -3,-1.6 -25,-2.9 1,-0.3 2,-0.4 0.781 120.9 23.3-103.9 -38.6 -32.9 -42.2 -18.0 28 1029 X H E < +a 2 0A 8 -4,-2.4 2,-0.4 -27,-0.2 -1,-0.3 -0.994 55.2 178.3-134.9 133.9 -29.0 -42.7 -17.8 29 1030 X Q E -a 3 0A 91 -27,-3.0 -25,-2.9 -2,-0.4 2,-0.7 -0.995 22.5-143.9-132.6 135.8 -26.4 -43.9 -20.2 30 1031 X V E +a 4 0A 15 -2,-0.4 -25,-0.2 -27,-0.2 3,-0.1 -0.858 30.4 165.7 -93.0 111.5 -22.6 -44.1 -19.6 31 1032 X V E + 0 0 22 -27,-2.5 21,-0.4 -2,-0.7 2,-0.3 0.597 53.3 14.4-106.2 -18.4 -21.2 -43.3 -23.1 32 1033 X A E -a 5 0A 0 -28,-1.1 -26,-3.2 19,-0.1 2,-0.4 -0.990 50.1-163.4-161.0 151.5 -17.5 -42.6 -22.5 33 1034 X V E -ac 6 53A 0 19,-2.0 21,-2.2 -2,-0.3 2,-0.4 -0.988 8.2-163.2-142.7 131.4 -14.6 -42.9 -20.0 34 1035 X A E +ac 7 54A 0 -28,-2.7 -26,-2.9 -2,-0.4 2,-0.3 -0.904 10.7 170.6-115.8 144.2 -11.2 -41.2 -19.9 35 1036 X A - 0 0 1 19,-1.8 6,-0.0 -2,-0.4 3,-0.0 -0.829 52.4 -95.6-135.4 171.4 -8.1 -42.1 -18.0 36 1037 X R S S+ 0 0 182 -2,-0.3 2,-0.3 1,-0.1 19,-0.1 0.543 112.9 30.1 -77.6 -2.0 -4.6 -40.6 -18.2 37 1038 X D S > S- 0 0 71 17,-0.2 4,-1.8 1,-0.1 3,-0.1 -0.971 79.6-125.3-147.7 152.3 -3.7 -43.4 -20.6 38 1039 X L H > S+ 0 0 81 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.839 106.1 62.5 -56.3 -42.0 -5.7 -45.4 -23.2 39 1040 X S H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.952 107.8 40.5 -48.7 -63.6 -4.7 -48.8 -21.7 40 1041 X R H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 115.3 53.1 -52.4 -42.4 -6.4 -48.1 -18.3 41 1042 X A H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.945 109.6 47.1 -63.1 -49.2 -9.4 -46.4 -20.0 42 1043 X K H X S+ 0 0 124 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.918 110.7 52.3 -59.1 -44.8 -10.0 -49.5 -22.3 43 1044 X E H X S+ 0 0 142 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.947 113.8 43.8 -56.0 -46.9 -9.7 -51.9 -19.4 44 1045 X F H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 112.4 51.8 -62.1 -48.0 -12.3 -49.9 -17.4 45 1046 X A H X>S+ 0 0 5 -4,-3.2 5,-2.2 1,-0.2 4,-0.5 0.873 112.4 47.4 -59.2 -34.8 -14.6 -49.5 -20.5 46 1047 X Q H ><5S+ 0 0 161 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.950 113.1 46.5 -72.9 -45.6 -14.5 -53.3 -21.1 47 1048 X K H 3<5S+ 0 0 161 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 122.2 36.9 -61.9 -31.8 -15.2 -54.1 -17.4 48 1049 X H H 3<5S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.290 107.6-118.6-112.4 8.5 -18.1 -51.6 -17.2 49 1050 X D T <<5 + 0 0 137 -3,-0.7 -3,-0.2 -4,-0.5 -19,-0.1 0.913 55.7 155.1 57.6 48.1 -19.6 -52.0 -20.6 50 1051 X I < - 0 0 7 -5,-2.2 -1,-0.2 -6,-0.1 -19,-0.2 -0.903 40.0-141.5-102.4 137.9 -19.0 -48.4 -21.8 51 1052 X P S S+ 0 0 108 0, 0.0 2,-0.4 0, 0.0 -19,-0.1 0.669 77.2 46.1 -79.4 -17.0 -18.7 -48.0 -25.6 52 1053 X K - 0 0 105 -21,-0.4 -19,-2.0 -11,-0.0 2,-0.3 -0.991 59.2-171.6-132.8 134.9 -16.0 -45.3 -25.9 53 1054 X A E -c 33 0A 19 -2,-0.4 2,-0.4 -21,-0.2 -19,-0.2 -0.922 3.5-171.5-122.1 142.4 -12.5 -45.0 -24.2 54 1055 X Y E -c 34 0A 25 -21,-2.2 -19,-1.8 -2,-0.3 -17,-0.2 -0.985 24.4-146.0-134.2 150.1 -10.0 -42.1 -24.2 55 1056 X G S S+ 0 0 18 -2,-0.4 2,-0.3 -21,-0.2 -17,-0.2 0.157 85.9 44.1-100.0 16.7 -6.5 -41.7 -23.0 56 1057 X S S > S- 0 0 39 -19,-0.1 4,-0.9 1,-0.1 3,-0.2 -0.984 72.8-132.6-152.3 154.9 -6.9 -38.1 -22.0 57 1058 X Y H > S+ 0 0 31 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 0.870 106.5 64.1 -73.5 -35.8 -9.6 -36.0 -20.2 58 1059 X E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 98.5 53.5 -53.0 -40.1 -9.5 -33.4 -22.9 59 1060 X E H > S+ 0 0 92 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.841 109.1 49.2 -64.9 -35.6 -10.7 -36.0 -25.5 60 1061 X L H >< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.4 6,-0.2 0.927 107.1 54.5 -67.6 -43.4 -13.7 -36.8 -23.2 61 1062 X A H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.8 48.0 -55.5 -38.7 -14.6 -33.0 -22.8 62 1063 X K H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.554 80.2 111.3 -83.6 -10.7 -14.7 -32.8 -26.6 63 1064 X D X< - 0 0 13 -3,-1.1 3,-1.5 -4,-0.6 -3,-0.0 -0.504 58.4-153.7 -62.8 114.1 -16.9 -35.8 -27.2 64 1065 X P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.705 89.6 64.2 -72.6 -8.1 -20.2 -34.2 -28.5 65 1066 X N T 3 S+ 0 0 92 -34,-0.1 2,-0.5 2,-0.0 -2,-0.1 0.651 83.4 90.3 -83.5 -14.8 -22.2 -37.3 -27.2 66 1067 X V < + 0 0 5 -3,-1.5 -62,-0.2 -6,-0.2 3,-0.1 -0.732 45.6 173.0 -85.2 128.7 -21.3 -36.5 -23.6 67 1068 X E + 0 0 77 -64,-2.4 24,-2.2 -2,-0.5 2,-0.4 0.778 69.7 22.9 -98.1 -38.6 -23.8 -34.3 -21.8 68 1069 X V E -bd 4 91A 0 -65,-1.8 -63,-2.5 22,-0.2 2,-0.4 -0.999 68.0-148.8-137.0 133.6 -22.5 -34.4 -18.2 69 1070 X A E -bd 5 92A 0 22,-2.6 24,-2.8 -2,-0.4 2,-0.6 -0.875 4.8-151.3-104.2 134.2 -19.0 -35.3 -16.9 70 1071 X Y E -bd 6 93A 0 -65,-2.7 -63,-2.8 -2,-0.4 2,-0.9 -0.938 13.0-154.5-101.5 117.4 -18.5 -37.0 -13.6 71 1072 X V E +bd 7 94A 0 22,-2.6 24,-2.3 -2,-0.6 -63,-0.1 -0.869 25.8 163.3-100.7 104.9 -15.0 -35.9 -12.4 72 1073 X G + 0 0 5 -65,-2.2 -59,-0.3 -2,-0.9 -60,-0.3 0.091 27.7 131.0-107.8 20.4 -13.8 -38.7 -10.0 73 1074 X T - 0 0 11 1,-0.1 5,-0.1 4,-0.1 -65,-0.0 -0.099 68.6 -76.6 -64.4 171.3 -10.1 -37.8 -9.9 74 1075 X Q >> - 0 0 74 1,-0.1 3,-1.3 3,-0.1 4,-0.6 -0.219 58.8 -92.2 -62.7 157.6 -7.9 -37.4 -6.7 75 1076 X H G >4 S+ 0 0 29 93,-0.4 3,-1.3 1,-0.2 4,-0.4 0.854 123.5 46.1 -45.9 -51.5 -8.5 -34.2 -4.8 76 1077 X P G 34 S+ 0 0 23 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.760 109.6 57.3 -72.8 -14.4 -5.7 -32.0 -6.4 77 1078 X Q G <> S+ 0 0 65 -3,-1.3 4,-1.4 1,-0.2 5,-0.2 0.497 82.5 87.0 -91.1 -1.3 -6.8 -33.1 -9.9 78 1079 X H H S+ 0 0 60 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.899 107.5 44.2 -60.6 -50.5 -9.9 -28.4 -10.8 80 1081 X A H > S+ 0 0 67 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 116.3 49.2 -60.4 -39.7 -8.1 -28.8 -14.1 81 1082 X A H X S+ 0 0 2 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.918 112.5 47.0 -68.3 -46.0 -10.6 -31.6 -15.1 82 1083 X V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.951 112.4 50.0 -55.6 -48.4 -13.7 -29.5 -14.2 83 1084 X M H X S+ 0 0 40 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.887 110.3 50.3 -63.9 -39.1 -12.3 -26.5 -16.0 84 1085 X L H X S+ 0 0 57 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.907 112.3 47.0 -61.6 -44.8 -11.6 -28.5 -19.2 85 1086 X C H <>S+ 0 0 1 -4,-2.2 5,-2.1 1,-0.2 -2,-0.2 0.926 113.7 46.6 -69.1 -43.2 -15.1 -30.0 -19.1 86 1087 X L H ><5S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.874 108.0 55.8 -64.1 -41.8 -16.9 -26.6 -18.6 87 1088 X A H 3<5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.3 52.4 -59.9 -31.0 -14.8 -24.9 -21.3 88 1089 X A T 3<5S- 0 0 37 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.340 123.8-105.4 -87.3 6.6 -16.1 -27.7 -23.6 89 1090 X G T < 5S+ 0 0 45 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.640 71.9 141.0 81.5 15.8 -19.8 -27.0 -22.7 90 1091 X K < - 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