==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-MAY-08 3D3W . COMPND 2 MOLECULE: L-XYLULOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.-T.ZHAO,O.EL-KABBANI . 488 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 35 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 0 2 2 0 2 2 4 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 2 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 A M 0 0 171 0, 0.0 2,-0.4 0, 0.0 225,-0.1 0.000 360.0 360.0 360.0 108.1 -30.6 -2.9 -0.5 2 2 A E - 0 0 83 1,-0.1 224,-0.0 2,-0.1 0, 0.0 -0.584 360.0-167.0 -71.7 122.6 -31.8 -4.8 2.6 3 3 A L - 0 0 34 -2,-0.4 222,-0.6 222,-0.1 223,-0.3 0.566 29.5-131.5 -85.7 -10.8 -28.9 -5.2 5.0 4 4 A F + 0 0 115 220,-0.1 221,-0.1 221,-0.1 -2,-0.1 0.892 66.6 129.2 54.7 46.9 -30.7 -7.8 7.2 5 5 A L > + 0 0 2 25,-0.1 3,-1.6 219,-0.1 -1,-0.1 0.595 31.3 117.3 -97.6 -18.4 -29.8 -6.0 10.4 6 6 A A T 3 S+ 0 0 57 1,-0.2 26,-0.3 26,-0.1 25,-0.2 -0.220 84.8 5.9 -54.4 136.6 -33.3 -6.0 11.7 7 7 A G T 3 S+ 0 0 40 24,-2.3 -1,-0.2 1,-0.2 25,-0.2 0.239 96.7 126.1 73.6 -12.1 -33.7 -8.0 15.0 8 8 A R < - 0 0 48 -3,-1.6 25,-2.0 1,-0.1 2,-0.6 -0.483 64.5-116.0 -79.0 150.6 -29.9 -8.7 15.4 9 9 A R E -a 33 0A 10 23,-0.2 69,-2.4 -2,-0.1 70,-1.8 -0.801 35.9-174.5 -96.0 120.6 -28.2 -7.8 18.7 10 10 A V E -ab 34 79A 0 23,-3.1 25,-3.1 -2,-0.6 2,-0.5 -0.935 15.0-155.4-119.4 124.9 -25.5 -5.1 18.2 11 11 A L E -ab 35 80A 2 68,-2.5 70,-2.7 -2,-0.4 2,-0.5 -0.850 12.2-171.0 -99.1 131.7 -23.0 -3.7 20.8 12 12 A V E -ab 36 81A 0 23,-3.4 25,-3.1 -2,-0.5 3,-0.4 -0.972 6.8-155.9-122.3 123.2 -21.7 -0.2 20.1 13 13 A T E S+a 37 0A 5 68,-2.5 70,-0.3 -2,-0.5 25,-0.2 -0.715 80.2 27.2 -95.9 159.3 -18.8 1.2 22.2 14 14 A G S > S+ 0 0 14 23,-0.7 3,-0.6 -2,-0.3 6,-0.5 0.881 76.8 153.0 53.0 42.7 -18.3 5.0 22.6 15 15 A A T 3 + 0 0 0 22,-2.5 23,-0.2 -3,-0.4 9,-0.1 0.538 46.7 81.5 -75.4 -11.1 -22.1 5.3 22.0 16 16 A G T 3 S+ 0 0 2 21,-0.2 2,-0.3 4,-0.0 -1,-0.2 0.803 99.3 9.6 -68.3 -33.0 -22.4 8.6 24.0 17 17 A K S X> S- 0 0 101 -3,-0.6 4,-1.8 167,-0.0 3,-0.7 -0.869 104.7 -10.2-142.5 166.9 -21.3 11.0 21.3 18 18 A G H 3> S+ 0 0 26 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.039 119.9 2.6 49.3-131.1 -20.4 11.5 17.6 19 19 A I H 3> S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 132.7 51.7 -60.0 -43.4 -20.0 8.4 15.4 20 20 A G H <> S+ 0 0 0 -3,-0.7 4,-2.0 -6,-0.5 -1,-0.2 0.903 111.8 48.4 -61.7 -41.5 -20.9 5.9 18.1 21 21 A R H X S+ 0 0 38 -4,-1.8 4,-2.5 -7,-0.3 -2,-0.2 0.916 111.4 48.6 -63.6 -45.8 -24.1 7.8 18.9 22 22 A G H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.862 109.4 53.9 -60.0 -39.5 -25.1 8.1 15.2 23 23 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 109.0 47.4 -63.6 -42.8 -24.5 4.3 14.8 24 24 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.947 112.1 51.4 -63.7 -45.6 -26.8 3.6 17.7 25 25 A Q H X S+ 0 0 74 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.951 112.4 44.9 -56.6 -49.1 -29.4 5.9 16.2 26 26 A A H X S+ 0 0 26 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.850 114.8 48.0 -62.0 -39.2 -29.3 4.2 12.7 27 27 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -1,-0.2 0.898 111.5 49.1 -72.0 -41.6 -29.4 0.7 14.2 28 28 A H H ><5S+ 0 0 61 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.857 110.1 53.1 -62.2 -40.4 -32.3 1.5 16.5 29 29 A A H 3<5S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.865 107.4 50.1 -63.1 -38.9 -34.1 3.0 13.5 30 30 A T T 3<5S- 0 0 64 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.397 124.3-100.9 -83.9 3.6 -33.6 -0.2 11.3 31 31 A G T < 5S+ 0 0 41 -3,-0.9 -24,-2.3 1,-0.3 -3,-0.2 0.609 71.7 145.7 88.5 13.7 -35.0 -2.4 14.2 32 32 A A < - 0 0 6 -5,-2.7 2,-0.5 -26,-0.3 -1,-0.3 -0.516 52.0-121.2 -73.7 150.4 -31.7 -3.8 15.6 33 33 A R E -a 9 0A 121 -25,-2.0 -23,-3.1 -2,-0.2 2,-0.4 -0.834 37.7-154.8 -88.1 127.9 -31.5 -4.4 19.4 34 34 A V E -a 10 0A 2 -2,-0.5 21,-3.1 -25,-0.2 2,-0.6 -0.906 25.3-161.0-119.0 132.4 -28.6 -2.3 20.7 35 35 A V E -ac 11 55A 1 -25,-3.1 -23,-3.4 -2,-0.4 2,-0.7 -0.954 23.4-159.5-101.1 116.3 -26.2 -2.5 23.6 36 36 A A E -ac 12 56A 0 19,-1.9 21,-2.8 -2,-0.6 2,-0.5 -0.886 9.5-173.6-105.2 112.5 -24.8 1.1 24.0 37 37 A V E +ac 13 57A 0 -25,-3.1 -22,-2.5 -2,-0.7 -23,-0.7 -0.924 17.6 142.1-113.0 128.8 -21.6 1.3 25.9 38 38 A S E - c 0 58A 13 19,-2.0 21,-1.7 -2,-0.5 6,-0.1 -0.982 51.8-116.5-162.2 165.5 -19.9 4.6 26.9 39 39 A R S S+ 0 0 155 -2,-0.3 2,-0.5 19,-0.2 21,-0.1 0.760 91.2 63.2 -79.2 -32.2 -18.0 6.5 29.6 40 40 A T >> - 0 0 45 1,-0.1 4,-1.2 19,-0.1 3,-0.8 -0.888 64.2-152.4-111.8 119.9 -20.4 9.3 30.7 41 41 A Q H 3> S+ 0 0 91 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.848 93.4 59.0 -55.0 -41.3 -23.9 8.5 32.2 42 42 A A H 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 103.2 53.3 -61.4 -34.2 -25.6 11.7 31.0 43 43 A D H <> S+ 0 0 29 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.877 111.9 44.8 -67.5 -42.3 -24.8 10.8 27.3 44 44 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.877 108.9 57.0 -68.7 -39.8 -26.4 7.3 27.8 45 45 A D H X S+ 0 0 67 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.938 111.4 42.2 -53.4 -50.3 -29.5 8.8 29.6 46 46 A S H X S+ 0 0 23 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.878 112.3 54.7 -68.4 -37.6 -30.3 11.1 26.7 47 47 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.923 105.4 51.6 -61.0 -44.6 -29.7 8.4 24.2 48 48 A V H < S+ 0 0 39 -4,-2.5 -1,-0.2 2,-0.2 6,-0.2 0.848 109.0 51.8 -65.0 -34.3 -32.1 5.9 25.8 49 49 A R H < S+ 0 0 183 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.925 115.3 42.0 -62.4 -47.6 -34.8 8.7 25.7 50 50 A E H < S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 128.1 31.2 -63.7 -36.0 -34.1 9.2 22.0 51 51 A C S >< S- 0 0 6 -4,-2.7 3,-1.7 -5,-0.2 -1,-0.2 -0.634 84.2-157.9-129.9 70.6 -33.9 5.5 21.3 52 52 A P T 3 S+ 0 0 89 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.236 75.0 32.5 -58.2 134.4 -36.2 3.6 23.8 53 53 A G T 3 S+ 0 0 73 1,-0.4 -19,-0.1 -5,-0.1 -5,-0.1 0.149 80.6 127.0 107.8 -17.9 -35.2 -0.0 24.3 54 54 A I < - 0 0 10 -3,-1.7 -1,-0.4 -6,-0.2 -19,-0.2 -0.391 61.8-123.6 -68.1 146.6 -31.4 0.2 23.9 55 55 A E E -c 35 0A 77 -21,-3.1 -19,-1.9 -3,-0.1 2,-0.2 -0.849 25.2-150.2 -98.6 105.6 -29.4 -1.3 26.8 56 56 A P E -c 36 0A 59 0, 0.0 2,-0.4 0, 0.0 -19,-0.2 -0.477 14.0-174.6 -74.4 137.5 -27.1 1.4 28.3 57 57 A V E -c 37 0A 29 -21,-2.8 -19,-2.0 -2,-0.2 2,-0.7 -0.951 8.9-159.5-131.8 110.9 -23.8 0.2 29.9 58 58 A C E +c 38 0A 52 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.849 35.2 133.8 -93.5 112.6 -21.8 3.0 31.6 59 59 A V - 0 0 14 -21,-1.7 2,-0.9 -2,-0.7 -19,-0.1 -0.984 59.4-116.5-157.4 143.4 -18.2 2.0 31.9 60 60 A D > - 0 0 56 -2,-0.3 3,-2.1 1,-0.1 7,-0.2 -0.783 25.6-161.5 -81.6 105.6 -14.7 3.2 31.4 61 61 A L T 3 S+ 0 0 12 -2,-0.9 -1,-0.1 1,-0.3 53,-0.1 0.527 84.5 72.3 -70.7 -10.0 -13.3 0.8 28.7 62 62 A G T 3 S+ 0 0 6 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.544 83.7 81.5 -73.2 -9.0 -9.7 1.8 29.6 63 63 A D <> - 0 0 69 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 -0.882 63.5-170.2-104.0 98.0 -10.3 -0.3 32.8 64 64 A W H > S+ 0 0 76 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.932 87.2 46.2 -52.1 -50.8 -9.8 -4.0 31.9 65 65 A E H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 115.2 45.5 -64.3 -43.1 -11.1 -5.3 35.2 66 66 A A H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.846 111.7 53.5 -71.0 -33.7 -14.2 -2.9 35.2 67 67 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 -7,-0.2 -2,-0.2 0.903 107.1 50.4 -60.7 -52.2 -14.9 -3.8 31.5 68 68 A E H X S+ 0 0 113 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.907 114.2 45.7 -51.3 -46.8 -14.9 -7.6 32.2 69 69 A R H < S+ 0 0 211 -4,-1.6 4,-0.4 -5,-0.2 3,-0.2 0.919 116.6 43.9 -66.0 -45.5 -17.4 -7.0 35.1 70 70 A A H < S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.798 119.0 41.1 -70.6 -32.7 -19.6 -4.6 33.2 71 71 A L H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.358 89.1 107.5-106.7 4.6 -19.7 -6.7 29.9 72 72 A G T 3< S+ 0 0 53 -4,-0.7 2,-0.6 -3,-0.2 3,-0.3 0.922 89.4 18.1 -25.8 -86.1 -20.0 -9.9 31.9 73 73 A S T 3 S+ 0 0 124 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.444 80.1 135.9-101.7 56.8 -23.7 -10.9 31.4 74 74 A V < - 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0 0 24 -71,-0.0 2,-0.4 2,-0.0 18,-0.1 -0.987 38.5-137.6-158.5 157.5 -11.3 6.2 21.4 86 86 A V - 0 0 32 -2,-0.3 2,-0.6 17,-0.3 21,-0.1 -0.928 7.7-151.7-117.9 142.9 -9.3 9.1 22.9 87 87 A A + 0 0 32 -2,-0.4 2,-0.9 2,-0.1 -2,-0.0 -0.881 18.3 177.4-109.8 93.6 -7.2 11.6 20.9 88 88 A L - 0 0 59 -2,-0.6 2,-0.5 11,-0.1 61,-0.3 -0.855 16.7-159.3-100.6 99.7 -4.5 12.8 23.3 89 89 A L + 0 0 52 -2,-0.9 57,-0.2 59,-0.1 56,-0.1 -0.743 24.3 150.2 -93.3 126.5 -2.5 15.1 21.2 90 90 A Q B -g 146 0B 41 55,-1.4 57,-0.6 -2,-0.5 58,-0.3 -0.981 50.6-100.8-148.5 141.9 1.1 16.0 22.1 91 91 A P > - 0 0 42 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.302 44.4-109.7 -53.3 142.8 4.2 16.9 20.0 92 92 A F G > S+ 0 0 151 1,-0.3 3,-1.5 2,-0.2 52,-0.0 0.869 120.0 51.2 -42.2 -50.1 6.4 13.8 19.7 93 93 A L G 3 S+ 0 0 164 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.525 112.8 48.6 -74.3 -4.7 9.1 15.3 22.0 94 94 A E G < S+ 0 0 127 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.299 76.8 131.1-111.4 6.0 6.4 16.0 24.6 95 95 A V < - 0 0 48 -3,-1.5 2,-0.3 -4,-0.4 -6,-0.0 -0.387 44.9-150.3 -62.2 139.0 4.7 12.6 24.6 96 96 A T > - 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