==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-OCT-03 1UR3 . COMPND 2 MOLECULE: HYPOTHETICAL OXIDOREDUCTASE YDHF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.JEUDY,J.M.CLAVERIE,C.ABERGEL . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 0 0 0 3 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 1 M L 0 0 162 0, 0.0 2,-0.3 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0-157.2 17.3 53.0 7.1 2 2 M V - 0 0 7 42,-0.2 272,-0.0 1,-0.1 45,-0.0 -0.715 360.0 -97.1 -91.3 143.9 20.1 50.6 6.0 3 3 M Q - 0 0 117 -2,-0.3 13,-3.7 12,-0.1 14,-0.3 -0.289 33.3-131.8 -63.3 147.7 20.7 47.7 8.4 4 4 M R E -A 15 0A 92 11,-0.3 2,-0.3 12,-0.1 11,-0.2 -0.760 27.1-174.6 -96.7 146.0 23.6 48.1 10.9 5 5 M I E -A 14 0A 23 9,-3.2 9,-3.1 -2,-0.3 2,-0.8 -0.981 28.8-131.9-150.2 134.2 26.1 45.2 11.2 6 6 M T E -A 13 0A 69 -2,-0.3 7,-0.2 7,-0.3 199,-0.1 -0.744 22.8-152.4 -81.9 109.5 29.1 44.4 13.5 7 7 M I - 0 0 0 5,-1.8 198,-3.5 -2,-0.8 -1,-0.1 0.650 65.4 -7.0 -62.1 -17.7 31.8 43.4 10.9 8 8 M A S > S- 0 0 4 4,-0.3 3,-1.6 196,-0.2 196,-0.2 -0.983 84.0 -75.8-170.6 163.2 33.7 41.1 13.3 9 9 M P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 168,-0.1 0.819 128.1 10.2 -30.7 -73.2 34.1 39.8 16.9 10 10 M Q T 3 S+ 0 0 158 -3,-0.1 167,-0.1 166,-0.1 -3,-0.1 0.262 113.4 117.0 -97.5 16.0 35.8 42.7 18.5 11 11 M G < - 0 0 17 -3,-1.6 2,-0.1 1,-0.1 165,-0.1 0.048 66.2 -88.8 -76.2-176.8 35.1 44.9 15.5 12 12 M P - 0 0 18 0, 0.0 -5,-1.8 0, 0.0 2,-0.5 -0.376 36.7-104.0 -88.9 167.8 33.1 48.0 14.8 13 13 M E E +A 6 0A 96 -7,-0.2 -7,-0.3 -6,-0.1 2,-0.2 -0.827 44.8 176.9 -93.2 130.2 29.4 48.5 13.8 14 14 M F E -A 5 0A 0 -9,-3.1 -9,-3.2 -2,-0.5 2,-0.5 -0.718 35.6 -99.5-123.0 173.3 29.0 49.4 10.1 15 15 M S E -A 4 0A 0 -11,-0.2 -11,-0.3 -2,-0.2 -12,-0.1 -0.859 34.8-119.9 -98.0 133.7 26.1 50.0 7.8 16 16 M R S S+ 0 0 22 -13,-3.7 2,-0.5 -2,-0.5 -1,-0.1 0.788 103.9 48.5 -38.4 -39.6 25.3 47.0 5.7 17 17 M F S S- 0 0 0 -14,-0.3 31,-0.6 241,-0.2 2,-0.4 -0.921 77.2-161.6-109.9 133.3 25.9 49.2 2.6 18 18 M V E -bc 48 260B 0 241,-2.0 243,-2.9 -2,-0.5 2,-0.6 -0.870 18.8-124.7-115.2 148.0 28.9 51.3 2.4 19 19 M X E -bc 49 261B 0 29,-2.5 31,-3.6 -2,-0.4 2,-0.6 -0.788 26.0-155.2 -88.9 124.2 29.6 54.3 0.1 20 20 M G E -b 50 0B 3 241,-2.9 3,-0.4 -2,-0.6 243,-0.3 -0.900 12.6-164.4-106.0 124.2 32.7 53.8 -2.0 21 21 M Y > + 0 0 0 29,-2.4 3,-0.8 -2,-0.6 31,-0.2 -0.234 49.3 124.8 -97.6 45.8 34.6 56.8 -3.3 22 22 M W T 3 S+ 0 0 115 -2,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.905 84.4 31.7 -67.9 -41.3 36.6 54.9 -5.8 23 23 M R T 3> S+ 0 0 109 -3,-0.4 4,-1.0 1,-0.2 -1,-0.2 -0.087 75.4 129.2-111.0 35.5 35.4 57.2 -8.6 24 24 M L T <4>S+ 0 0 6 -3,-0.8 5,-0.6 1,-0.2 3,-0.2 0.818 76.3 52.1 -56.6 -35.2 34.9 60.5 -6.8 25 25 M X T >45S+ 0 0 60 -3,-0.3 3,-2.3 1,-0.2 -1,-0.2 0.910 101.1 60.2 -69.0 -42.9 37.0 62.3 -9.4 26 26 M D T 345S+ 0 0 103 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.780 94.4 66.0 -54.3 -30.4 34.9 60.9 -12.3 27 27 M W T 3<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.493 93.3-144.2 -73.2 -3.4 31.8 62.6 -10.8 28 28 M N T < 5 + 0 0 153 -3,-2.3 2,-0.3 1,-0.2 -3,-0.1 0.895 43.3 163.1 36.8 53.1 33.3 66.0 -11.5 29 29 M X < - 0 0 60 -5,-0.6 2,-0.2 -4,-0.1 -1,-0.2 -0.708 33.6-130.7-101.6 153.1 31.7 67.0 -8.2 30 30 M S >> - 0 0 48 -2,-0.3 4,-1.5 -3,-0.1 3,-0.6 -0.600 28.0-104.4 -98.8 164.2 32.6 70.2 -6.1 31 31 M A H 3> S+ 0 0 38 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.881 121.7 44.7 -54.5 -45.2 33.3 70.3 -2.4 32 32 M R H 3> S+ 0 0 175 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.706 111.2 55.5 -74.9 -17.7 29.9 71.8 -1.4 33 33 M Q H <> S+ 0 0 80 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.733 109.2 47.2 -81.6 -25.7 28.2 69.3 -3.7 34 34 M L H X S+ 0 0 6 -4,-1.5 4,-3.2 -3,-0.3 5,-0.2 0.849 104.9 57.1 -83.2 -39.5 30.0 66.4 -1.9 35 35 M V H X S+ 0 0 15 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.849 114.9 41.3 -59.7 -32.0 29.1 67.7 1.6 36 36 M S H X S+ 0 0 46 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.740 112.1 53.2 -86.7 -26.1 25.5 67.5 0.5 37 37 M F H X S+ 0 0 5 -4,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.907 112.1 47.9 -71.0 -42.2 25.9 64.2 -1.4 38 38 M I H >X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 3,-0.8 0.967 108.5 51.5 -59.8 -58.9 27.4 62.8 1.9 39 39 M E H 3X S+ 0 0 74 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.913 109.3 53.1 -46.0 -50.6 24.6 64.1 4.1 40 40 M E H 3X S+ 0 0 94 -4,-1.7 4,-1.0 1,-0.2 -1,-0.3 0.826 113.4 40.6 -58.9 -36.3 22.0 62.6 1.8 41 41 M H H S+ 0 0 0 -4,-1.5 5,-1.1 -3,-0.8 4,-1.0 0.799 113.2 55.3 -84.2 -23.2 23.6 59.1 1.9 42 42 M L H <5S+ 0 0 4 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.903 109.7 47.5 -68.7 -39.3 24.2 59.6 5.6 43 43 M D H <5S+ 0 0 96 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.772 104.9 59.1 -70.6 -29.4 20.5 60.3 6.0 44 44 M L H <5S- 0 0 32 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.783 125.5-102.9 -68.7 -27.5 19.6 57.2 3.9 45 45 M G T <5S+ 0 0 4 -4,-1.0 2,-1.1 -3,-0.3 -3,-0.2 0.078 85.2 125.7 126.2 -23.3 21.5 55.1 6.4 46 46 M V < + 0 0 0 -5,-1.1 -1,-0.3 1,-0.2 -2,-0.2 -0.572 22.0 152.3 -70.3 101.8 24.7 54.5 4.6 47 47 M T + 0 0 18 -2,-1.1 32,-2.1 -30,-0.3 2,-0.5 0.469 41.4 86.3-113.0 -4.6 27.3 55.8 7.1 48 48 M T E -bd 18 79B 0 -31,-0.6 -29,-2.5 30,-0.2 2,-0.4 -0.876 60.6-161.0-102.2 125.7 30.4 53.8 6.3 49 49 M V E -bd 19 80B 0 30,-2.8 32,-2.3 -2,-0.5 2,-0.6 -0.891 7.3-144.6-113.1 134.7 32.7 55.2 3.6 50 50 M D E +bd 20 81B 5 -31,-3.6 -29,-2.4 -2,-0.4 2,-0.3 -0.848 27.6 159.6-104.6 118.3 35.3 53.4 1.6 51 51 M H - 0 0 0 30,-3.5 2,-0.3 -2,-0.6 -29,-0.1 -0.772 14.4-165.5-124.1 167.4 38.5 55.1 0.6 52 52 M A - 0 0 2 30,-0.3 9,-0.3 -2,-0.3 3,-0.2 -0.990 30.5-107.1-155.6 162.0 42.0 53.9 -0.5 53 53 M D S S+ 0 0 11 30,-0.5 8,-0.3 -2,-0.3 -1,-0.2 0.966 112.7 27.5 -47.2 -83.7 45.6 54.8 -1.0 54 54 M I S > S+ 0 0 30 3,-0.1 3,-1.5 4,-0.1 4,-0.5 0.454 85.5 132.0 -65.5 -7.9 46.0 54.8 -4.8 55 55 M Y T 3>>S+ 0 0 12 1,-0.3 5,-1.4 2,-0.2 4,-0.9 -0.303 82.1 1.4 -55.8 116.1 42.3 55.7 -5.6 56 56 M G T 345S- 0 0 28 -2,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.807 130.6 -61.3 77.2 32.3 42.1 58.5 -8.2 57 57 M G T <45S- 0 0 31 -3,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 103.1 -51.8 60.5 40.3 45.9 58.9 -8.6 58 58 M Y T 45S+ 0 0 48 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.846 124.5 99.9 65.0 38.4 46.2 59.8 -4.9 59 59 M Q T X5 + 0 0 112 -4,-0.9 4,-2.4 -5,-0.1 -3,-0.2 0.674 53.8 75.6-121.8 -32.1 43.5 62.5 -5.1 60 60 M C H > S+ 0 0 10 -6,-0.3 4,-2.7 -9,-0.3 -1,-0.2 0.952 111.8 48.7 -59.8 -47.2 41.1 61.3 -0.1 62 62 M A H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 111.8 48.8 -56.7 -49.3 42.1 64.9 -0.5 63 63 M A H X S+ 0 0 31 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.952 111.4 48.0 -56.7 -53.9 38.9 65.7 -2.4 64 64 M F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.912 110.4 55.9 -53.2 -44.3 36.7 64.0 0.2 65 65 M G H X S+ 0 0 0 -4,-2.7 4,-2.2 51,-0.3 -1,-0.2 0.913 98.8 56.7 -55.4 -51.1 38.7 65.9 2.9 66 66 M E H X S+ 0 0 109 -4,-2.3 4,-0.9 1,-0.3 -1,-0.2 0.920 111.7 46.0 -47.3 -45.8 38.0 69.4 1.5 67 67 M A H >X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 3,-0.5 0.852 107.2 54.9 -67.0 -37.7 34.3 68.5 1.8 68 68 M L H 3< S+ 0 0 6 -4,-1.9 6,-0.3 1,-0.2 -1,-0.2 0.797 102.7 61.3 -66.4 -25.5 34.7 67.2 5.3 69 69 M K H 3< S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.839 97.9 55.6 -68.6 -32.9 36.3 70.5 6.0 70 70 M L H << S+ 0 0 105 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.812 122.4 25.5 -70.1 -31.6 33.0 72.4 5.1 71 71 M A >< + 0 0 8 -4,-1.0 3,-3.0 -3,-0.1 -1,-0.3 -0.523 69.9 175.4-132.5 67.3 30.9 70.4 7.6 72 72 M P G > S+ 0 0 94 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.703 76.4 67.1 -43.9 -27.4 33.4 69.2 10.4 73 73 M H G 3> S+ 0 0 107 1,-0.2 4,-0.5 2,-0.1 -4,-0.1 0.488 79.4 82.4 -77.3 -1.2 30.5 67.7 12.3 74 74 M L G <4 S+ 0 0 2 -3,-3.0 4,-0.3 -6,-0.3 -1,-0.2 0.678 75.6 72.6 -76.0 -17.6 29.9 65.1 9.6 75 75 M R T X4 S+ 0 0 24 -3,-1.1 3,-3.6 -4,-0.2 -1,-0.2 0.985 90.0 54.0 -60.2 -62.7 32.7 62.9 11.0 76 76 M E T 34 S+ 0 0 156 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 106.3 56.1 -41.3 -36.7 30.8 61.7 14.1 77 77 M R T 3< S+ 0 0 95 -4,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.541 109.1 52.1 -77.6 -7.0 28.0 60.6 11.8 78 78 M X < - 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