==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-APR-07 2POQ . 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) . 14061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.0 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 . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 26.9 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 1 1 0 0 0 0 2 3 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 50 0, 0.0 2,-0.5 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 161.8 -31.5 -40.5 -21.6 2 1003 X L E -a 28 0A 12 25,-2.2 27,-2.5 65,-0.0 2,-0.7 -0.672 360.0-142.0 -71.3 119.2 -29.0 -38.3 -19.6 3 1004 X R E -a 29 0A 72 -2,-0.5 64,-2.6 25,-0.2 65,-1.9 -0.847 17.7-160.3 -99.0 114.0 -25.7 -39.3 -21.3 4 1005 X W E -ab 30 68A 0 25,-3.1 27,-2.3 -2,-0.7 28,-0.9 -0.725 11.8-162.4 -96.3 137.2 -22.9 -39.6 -18.7 5 1006 X G E -ab 32 69A 0 63,-2.4 65,-2.9 -2,-0.3 2,-0.5 -0.975 18.2-141.6-114.3 134.6 -19.1 -39.5 -19.4 6 1007 X I E -ab 33 70A 0 26,-2.1 28,-1.9 -2,-0.4 2,-0.6 -0.848 7.8-153.0-103.6 127.6 -16.9 -40.9 -16.5 7 1008 X V E +ab 34 71A 0 63,-2.8 65,-2.2 -2,-0.5 66,-0.2 -0.909 65.0 2.0-109.9 115.7 -13.7 -39.1 -15.8 8 1009 X S - 0 0 13 26,-2.4 27,-0.1 -2,-0.6 26,-0.1 0.214 67.0-125.6 80.6 157.1 -11.0 -41.3 -14.3 9 1010 X V + 0 0 18 4,-0.1 -1,-0.1 24,-0.1 26,-0.1 0.007 60.7 120.6-125.9 14.5 -11.3 -45.0 -13.5 10 1011 X G S > S- 0 0 31 3,-0.1 4,-1.8 1,-0.1 63,-0.0 -0.012 81.2 -70.9 -75.2-164.1 -10.4 -45.5 -9.9 11 1012 X L H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 266,-0.3 0.875 129.0 49.6 -61.6 -46.0 -12.5 -46.9 -7.1 12 1013 X I H > S+ 0 0 36 1,-0.2 4,-2.8 60,-0.2 -1,-0.2 0.923 109.0 53.9 -59.9 -39.9 -15.1 -44.1 -6.8 13 1014 X S H > S+ 0 0 0 59,-0.2 4,-3.4 2,-0.2 5,-0.3 0.886 105.6 53.5 -64.5 -35.0 -15.7 -44.1 -10.5 14 1015 X S H X S+ 0 0 17 -4,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.960 110.9 46.7 -59.9 -54.4 -16.4 -47.9 -10.4 15 1016 X D H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.940 115.4 45.2 -52.0 -51.4 -19.0 -47.4 -7.7 16 1017 X F H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.921 115.4 46.0 -65.3 -43.8 -20.6 -44.5 -9.5 17 1018 X T H X S+ 0 0 0 -4,-3.4 4,-2.2 -5,-0.2 -1,-0.2 0.925 112.5 51.8 -63.2 -46.3 -20.6 -46.2 -12.9 18 1019 X A H < S+ 0 0 26 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.922 111.8 46.4 -50.1 -50.1 -21.9 -49.4 -11.3 19 1020 X V H >< S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.2 4,-0.3 0.957 110.7 51.8 -61.2 -49.5 -24.8 -47.4 -9.7 20 1021 X L H >< S+ 0 0 3 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.842 104.5 59.5 -59.5 -30.8 -25.6 -45.5 -12.9 21 1022 X Q T 3< S+ 0 0 78 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.439 98.6 57.0 -82.4 3.4 -25.8 -48.8 -14.7 22 1023 X T T < S+ 0 0 56 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.363 89.6 97.8-101.3 -2.3 -28.5 -50.0 -12.4 23 1024 X L S < S- 0 0 18 -3,-1.6 5,-0.1 -4,-0.3 4,-0.0 -0.463 95.2 -72.5 -90.2 164.1 -30.8 -47.0 -13.2 24 1025 X P >> - 0 0 58 0, 0.0 3,-2.1 0, 0.0 4,-1.5 -0.284 43.5-137.5 -57.6 131.3 -33.7 -47.1 -15.8 25 1026 X R T 34 S+ 0 0 211 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.637 103.4 57.1 -73.4 -15.0 -31.9 -47.1 -19.2 26 1027 X S T 34 S+ 0 0 96 1,-0.1 -1,-0.3 -25,-0.1 3,-0.1 0.530 112.4 44.1 -86.3 -11.2 -34.3 -44.6 -20.7 27 1028 X E T <4 S+ 0 0 56 -3,-2.1 -25,-2.2 1,-0.3 2,-0.3 0.811 122.9 16.4 -98.9 -35.2 -33.2 -42.3 -17.8 28 1029 X H E < -a 2 0A 8 -4,-1.5 2,-0.4 -27,-0.3 -1,-0.3 -0.997 55.6-180.0-144.7 135.9 -29.3 -42.7 -17.7 29 1030 X Q E -a 3 0A 92 -27,-2.5 -25,-3.1 -2,-0.3 2,-0.7 -0.993 21.7-142.9-141.1 136.3 -26.7 -44.0 -20.1 30 1031 X V E +a 4 0A 10 -2,-0.4 -25,-0.2 -27,-0.2 3,-0.1 -0.902 29.7 166.0-100.8 115.0 -22.9 -44.2 -19.6 31 1032 X V E + 0 0 15 -27,-2.3 2,-0.3 -2,-0.7 21,-0.3 0.443 53.8 15.4-115.7 -9.1 -21.5 -43.5 -23.0 32 1033 X A E -a 5 0A 0 -28,-0.9 -26,-2.1 19,-0.1 2,-0.3 -0.980 49.5-165.6-162.2 157.8 -17.8 -42.8 -22.4 33 1034 X V E -ac 6 53A 0 19,-1.2 21,-1.5 -2,-0.3 2,-0.4 -0.978 9.8-161.6-143.0 149.5 -14.9 -43.1 -20.0 34 1035 X A E +ac 7 54A 0 -28,-1.9 -26,-2.4 -2,-0.3 2,-0.3 -0.996 10.0 174.3-134.6 141.5 -11.5 -41.4 -19.9 35 1036 X A - 0 0 1 19,-1.9 3,-0.1 -2,-0.4 -2,-0.0 -0.798 50.4 -95.9-130.1 178.3 -8.3 -42.3 -18.1 36 1037 X R S S+ 0 0 173 -2,-0.3 2,-0.3 1,-0.1 19,-0.1 0.591 112.5 25.2 -77.0 -7.0 -4.8 -40.9 -18.2 37 1038 X D S > S- 0 0 71 17,-0.2 4,-1.6 1,-0.1 3,-0.2 -0.969 83.2-117.0-149.5 154.5 -3.9 -43.6 -20.7 38 1039 X L H > S+ 0 0 92 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.754 107.7 56.1 -57.2 -36.6 -5.9 -45.7 -23.2 39 1040 X S H > S+ 0 0 86 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.959 105.9 49.3 -68.4 -49.5 -5.3 -49.2 -21.6 40 1041 X R H > S+ 0 0 117 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.950 116.5 46.1 -49.2 -42.1 -6.7 -48.2 -18.2 41 1042 X A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.923 111.1 48.5 -68.4 -48.4 -9.7 -46.8 -20.0 42 1043 X K H X S+ 0 0 139 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.934 112.2 50.6 -61.3 -43.8 -10.3 -49.7 -22.4 43 1044 X E H X S+ 0 0 145 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.947 112.0 47.3 -58.3 -44.8 -10.1 -52.2 -19.4 44 1045 X F H X S+ 0 0 14 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.919 110.3 52.3 -57.5 -48.4 -12.6 -50.1 -17.4 45 1046 X A H X>S+ 0 0 3 -4,-2.8 5,-1.9 2,-0.2 4,-1.1 0.865 112.0 45.1 -61.1 -40.4 -15.0 -49.9 -20.4 46 1047 X Q H ><5S+ 0 0 161 -4,-2.3 3,-1.3 2,-0.2 -2,-0.2 0.990 112.9 50.6 -62.5 -60.6 -15.0 -53.7 -20.9 47 1048 X K H 3<5S+ 0 0 159 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.831 124.1 30.4 -46.6 -37.9 -15.4 -54.4 -17.2 48 1049 X H H 3<5S- 0 0 24 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.325 106.4-113.7-113.3 6.5 -18.4 -51.9 -17.2 49 1050 X D T <<5 + 0 0 136 -3,-1.3 -3,-0.2 -4,-1.1 -19,-0.2 0.978 55.6 157.6 66.9 58.3 -20.0 -52.1 -20.6 50 1051 X I < - 0 0 7 -5,-1.9 -1,-0.2 1,-0.1 -19,-0.2 -0.979 37.0-146.6-120.2 116.9 -19.2 -48.5 -21.8 51 1052 X P S S+ 0 0 110 0, 0.0 2,-0.4 0, 0.0 -19,-0.1 0.767 77.9 45.5 -55.5 -33.5 -19.2 -48.1 -25.6 52 1053 X K - 0 0 115 -21,-0.3 -19,-1.2 -7,-0.0 2,-0.3 -0.951 61.1-173.8-125.3 137.2 -16.4 -45.4 -25.8 53 1054 X A E -c 33 0A 24 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.956 3.5-172.3-129.1 144.2 -13.0 -45.2 -24.2 54 1055 X Y E -c 34 0A 25 -21,-1.5 -19,-1.9 -2,-0.3 -17,-0.2 -0.957 26.2-145.2-139.0 153.5 -10.4 -42.5 -24.2 55 1056 X G S S+ 0 0 19 -2,-0.3 2,-0.3 -21,-0.2 -17,-0.1 0.265 87.6 41.7-107.5 10.5 -6.8 -42.0 -23.0 56 1057 X S S > S- 0 0 37 -19,-0.1 4,-1.0 1,-0.1 -20,-0.1 -0.982 72.0-133.2-149.2 158.4 -7.2 -38.4 -22.1 57 1058 X Y H > S+ 0 0 31 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.840 105.7 65.8 -73.8 -38.5 -9.9 -36.3 -20.3 58 1059 X E H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 100.6 51.5 -51.4 -40.0 -9.7 -33.7 -23.0 59 1060 X E H 4 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.858 109.1 48.8 -67.6 -42.3 -11.1 -36.3 -25.5 60 1061 X L H >< S+ 0 0 0 -4,-1.0 3,-0.8 2,-0.2 -1,-0.2 0.867 108.9 54.7 -61.3 -39.3 -14.0 -37.1 -23.3 61 1062 X A H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 109.8 46.8 -55.7 -45.4 -14.7 -33.4 -22.9 62 1063 X K T 3< S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.455 81.2 113.2 -82.4 -4.8 -14.9 -33.0 -26.7 63 1064 X D X - 0 0 15 -3,-0.8 3,-1.0 -4,-0.4 -3,-0.0 -0.598 58.9-152.9 -69.2 118.1 -17.1 -36.0 -27.3 64 1065 X P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.649 88.7 67.7 -72.6 -9.7 -20.4 -34.4 -28.5 65 1066 X N T 3 S+ 0 0 81 -34,-0.1 2,-0.4 2,-0.0 -62,-0.1 0.737 81.3 85.3 -76.7 -23.4 -22.3 -37.4 -27.1 66 1067 X V < + 0 0 5 -3,-1.0 -62,-0.2 -6,-0.2 3,-0.1 -0.654 44.5 173.3 -85.0 133.3 -21.6 -36.6 -23.5 67 1068 X E S S+ 0 0 78 -64,-2.6 24,-2.4 -2,-0.4 2,-0.3 0.724 71.7 26.0-106.6 -38.2 -24.0 -34.3 -21.8 68 1069 X V E -bd 4 91A 0 -65,-1.9 -63,-2.4 22,-0.2 2,-0.4 -0.998 68.6-150.0-132.2 138.3 -22.7 -34.5 -18.2 69 1070 X A E -bd 5 92A 0 22,-3.0 24,-2.9 -2,-0.3 2,-0.7 -0.855 5.6-149.3-111.2 133.8 -19.3 -35.5 -16.9 70 1071 X Y E -bd 6 93A 0 -65,-2.9 -63,-2.8 -2,-0.4 2,-1.0 -0.906 11.6-152.9-103.2 118.7 -18.7 -37.2 -13.6 71 1072 X V E +bd 7 94A 0 22,-3.2 24,-2.6 -2,-0.7 -63,-0.1 -0.810 26.1 163.6-100.0 100.0 -15.3 -36.1 -12.3 72 1073 X G + 0 0 6 -65,-2.2 -59,-0.2 -2,-1.0 -60,-0.2 0.295 29.3 130.8 -96.5 6.5 -14.1 -38.9 -10.1 73 1074 X T - 0 0 10 -66,-0.2 5,-0.1 4,-0.1 22,-0.1 0.022 66.6 -84.7 -59.0 167.1 -10.4 -37.9 -9.8 74 1075 X Q >> - 0 0 65 3,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.215 57.9 -87.1 -65.7 164.3 -8.3 -37.6 -6.7 75 1076 X H G >4 S+ 0 0 32 93,-0.4 3,-1.0 1,-0.3 4,-0.4 0.831 124.1 43.3 -50.4 -50.9 -8.6 -34.3 -4.7 76 1077 X P G 34 S+ 0 0 18 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.715 109.9 58.5 -75.3 -11.0 -5.9 -32.2 -6.5 77 1078 X Q G <> S+ 0 0 64 -3,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.485 82.7 83.2 -92.8 -2.7 -6.9 -33.3 -10.0 78 1079 X H H S+ 0 0 63 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.917 108.2 42.1 -61.4 -46.6 -10.0 -28.5 -10.8 80 1081 X A H > S+ 0 0 66 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.891 117.5 48.3 -68.8 -36.5 -8.3 -29.0 -14.2 81 1082 X A H X S+ 0 0 3 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.926 112.9 47.3 -65.6 -50.1 -10.7 -31.8 -15.2 82 1083 X V H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.956 112.0 51.7 -53.5 -51.4 -13.8 -29.8 -14.2 83 1084 X M H X S+ 0 0 36 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.891 108.6 50.6 -58.2 -39.1 -12.4 -26.8 -16.1 84 1085 X L H X S+ 0 0 52 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.913 111.6 48.2 -61.8 -46.2 -11.8 -28.9 -19.2 85 1086 X C H <>S+ 0 0 1 -4,-2.3 5,-2.9 2,-0.2 -2,-0.2 0.908 112.3 47.3 -63.3 -44.0 -15.4 -30.1 -19.1 86 1087 X L H ><5S+ 0 0 0 -4,-2.5 3,-2.5 3,-0.2 -2,-0.2 0.956 108.9 54.2 -62.7 -50.8 -17.0 -26.7 -18.6 87 1088 X A H 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.1 49.6 -47.2 -38.4 -14.9 -25.1 -21.4 88 1089 X A T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.327 123.6-106.9 -88.2 2.2 -16.2 -27.9 -23.8 89 1090 X G T < 5 + 0 0 38 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.670 68.7 145.2 85.9 20.5 -19.8 -27.2 -22.6 90 1091 X K < - 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