==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUN-12 4FJU . COMPND 2 MOLECULE: UREIDOGLYCOLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.I.KIM,S.RHEE . 650 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 14.6 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 25 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.9 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 4 2 2 0 0 1 2 2 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 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 0 PARALLEL BRIDGES PER LADDER . 7 3 0 2 2 4 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 . 1 0 1 1 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 81 0, 0.0 322,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.3 71.0 -19.1 -29.2 2 2 A K E +A 322 0A 106 320,-0.2 2,-0.3 317,-0.1 320,-0.3 -0.821 360.0 177.5-101.2 143.6 68.0 -20.7 -30.9 3 3 A I E -A 321 0A 18 318,-2.7 318,-3.0 -2,-0.4 316,-0.0 -0.970 30.3 -95.2-144.0 159.1 67.1 -24.4 -30.2 4 4 A S > - 0 0 57 -2,-0.3 4,-1.1 316,-0.2 5,-0.1 -0.094 27.0-124.8 -68.2 169.2 64.5 -26.9 -31.2 5 5 A R H > S+ 0 0 102 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.876 109.3 49.3 -81.7 -42.1 61.4 -27.6 -29.2 6 6 A E H > S+ 0 0 150 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.857 112.8 48.0 -65.7 -35.5 61.9 -31.4 -28.9 7 7 A T H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 111.4 47.9 -75.2 -42.1 65.5 -30.9 -27.8 8 8 A L H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.918 111.4 52.4 -64.1 -43.2 64.8 -28.2 -25.2 9 9 A H H X S+ 0 0 45 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.937 110.5 47.9 -54.0 -49.2 62.0 -30.4 -23.9 10 10 A Q H X S+ 0 0 87 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.918 112.0 49.0 -60.9 -45.7 64.4 -33.4 -23.6 11 11 A L H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.942 115.1 43.7 -60.1 -49.6 67.1 -31.3 -21.8 12 12 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.919 113.7 51.8 -62.8 -43.5 64.6 -29.9 -19.3 13 13 A E H X S+ 0 0 22 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.892 112.2 45.0 -60.0 -44.1 63.0 -33.3 -18.8 14 14 A N H X S+ 0 0 57 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.927 112.3 51.1 -66.6 -45.9 66.3 -35.0 -18.1 15 15 A K H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.833 114.0 43.2 -64.3 -36.4 67.6 -32.3 -15.7 16 16 A L H X>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.2 4,-0.9 0.784 111.3 55.9 -79.6 -26.3 64.4 -32.3 -13.6 17 17 A C H <5S+ 0 0 33 -4,-1.5 3,-0.2 -5,-0.2 -2,-0.2 0.887 107.9 47.2 -70.9 -38.4 64.3 -36.2 -13.6 18 18 A Q H <5S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.712 103.9 61.6 -77.3 -20.4 67.8 -36.4 -12.2 19 19 A A H <5S- 0 0 5 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.786 134.2 -91.7 -69.6 -28.0 66.8 -33.8 -9.6 20 20 A G T <5S+ 0 0 22 -4,-0.9 -3,-0.2 1,-0.3 -2,-0.2 0.451 80.2 135.0 134.0 4.0 64.3 -36.4 -8.6 21 21 A L < - 0 0 6 -5,-2.4 -1,-0.3 -8,-0.1 2,-0.1 -0.477 64.0-101.1 -75.6 148.2 61.0 -35.9 -10.5 22 22 A K > - 0 0 85 41,-0.4 4,-3.1 -2,-0.1 3,-0.3 -0.478 33.8-120.9 -60.0 140.3 59.1 -38.8 -12.1 23 23 A R H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.841 114.6 57.1 -56.8 -33.3 59.9 -38.7 -15.8 24 24 A E H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 111.5 41.9 -62.3 -44.7 56.2 -38.3 -16.4 25 25 A H H > S+ 0 0 22 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.921 112.1 53.4 -69.4 -44.6 56.1 -35.2 -14.2 26 26 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.804 106.9 54.0 -61.2 -29.8 59.3 -33.8 -15.6 27 27 A A H X S+ 0 0 24 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.939 109.5 46.5 -67.6 -48.1 57.9 -34.2 -19.1 28 28 A T H X S+ 0 0 25 -4,-1.6 4,-1.6 1,-0.2 5,-0.2 0.923 112.7 49.7 -61.4 -46.7 54.8 -32.1 -18.2 29 29 A V H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.924 110.5 52.8 -56.3 -42.2 56.9 -29.5 -16.5 30 30 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.890 105.9 50.2 -65.5 -41.7 59.1 -29.3 -19.6 31 31 A E H X S+ 0 0 57 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.847 109.5 51.1 -70.2 -30.2 56.4 -28.7 -22.1 32 32 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 87,-0.2 0.887 112.5 48.0 -70.9 -35.8 54.8 -25.9 -20.1 33 33 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 13,-0.3 0.938 112.1 46.5 -68.3 -46.6 58.3 -24.3 -19.9 34 34 A V H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.879 108.8 58.3 -63.6 -35.4 59.0 -24.7 -23.6 35 35 A Y H X S+ 0 0 5 -4,-1.9 4,-1.6 -5,-0.2 6,-0.2 0.926 107.9 46.4 -53.6 -48.7 55.5 -23.3 -24.3 36 36 A A H X>S+ 0 0 0 -4,-1.8 5,-2.6 8,-0.3 4,-0.7 0.952 113.3 47.6 -61.3 -50.9 56.4 -20.1 -22.4 37 37 A D H ><5S+ 0 0 7 -4,-2.4 3,-1.2 1,-0.2 285,-0.3 0.921 109.2 53.5 -57.8 -44.8 59.8 -19.7 -24.2 38 38 A A H 3<5S+ 0 0 3 -4,-2.9 278,-0.3 1,-0.3 -1,-0.2 0.851 111.2 46.8 -61.0 -34.4 58.3 -20.3 -27.6 39 39 A R H 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.504 122.2-106.2 -84.4 -6.3 55.7 -17.5 -27.0 40 40 A G T <<5S+ 0 0 28 -3,-1.2 2,-1.4 -4,-0.7 3,-0.2 0.541 83.0 127.6 94.8 7.3 58.4 -15.2 -25.6 41 41 A I > < + 0 0 28 -5,-2.6 3,-1.7 -6,-0.2 -1,-0.1 -0.527 26.2 160.5 -91.8 65.9 57.5 -15.5 -22.0 42 42 A H G > > + 0 0 80 -2,-1.4 3,-2.2 1,-0.3 5,-0.5 0.775 59.0 71.8 -66.4 -26.7 61.0 -16.3 -21.1 43 43 A S G 3 5S+ 0 0 36 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.714 108.4 37.7 -62.9 -16.8 60.7 -15.4 -17.4 44 44 A H G < 5S+ 0 0 39 -3,-1.7 75,-0.4 -11,-0.1 -1,-0.3 0.092 109.0 83.1-118.9 20.3 58.6 -18.6 -17.1 45 45 A G T X 5S- 0 0 0 -3,-2.2 3,-1.9 -9,-0.2 4,-0.2 0.149 107.3 -41.2 -97.7-144.5 60.6 -20.7 -19.5 46 46 A A G > 5S+ 0 0 1 1,-0.3 3,-2.2 -13,-0.3 4,-0.4 0.732 118.8 81.7 -61.0 -23.8 63.8 -22.7 -19.2 47 47 A V G 3 S+ 0 0 57 -3,-1.9 4,-2.7 1,-0.2 -1,-0.3 0.545 81.0 89.1 -92.6 -9.9 63.5 -21.5 -14.1 49 49 A V H <> S+ 0 0 0 -3,-2.2 4,-3.3 1,-0.2 5,-0.2 0.901 84.4 51.8 -59.5 -46.4 64.8 -25.1 -14.4 50 50 A E H > S+ 0 0 77 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.906 112.6 46.8 -59.6 -43.9 67.9 -24.6 -12.1 51 51 A Y H > S+ 0 0 19 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.948 112.8 49.7 -59.7 -49.7 65.7 -23.2 -9.4 52 52 A Y H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.914 107.7 54.4 -55.6 -45.3 63.2 -26.0 -9.8 53 53 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.910 109.5 47.3 -57.2 -44.5 66.1 -28.6 -9.7 54 54 A E H X S+ 0 0 41 -4,-1.9 4,-2.7 282,-0.2 6,-0.2 0.928 113.8 46.6 -63.0 -46.4 67.2 -27.2 -6.3 55 55 A R H X>S+ 0 0 4 -4,-2.3 5,-2.5 2,-0.2 6,-0.9 0.885 114.6 47.2 -65.1 -39.7 63.7 -27.1 -4.8 56 56 A I H ><5S+ 0 0 4 -4,-2.9 3,-0.8 4,-0.2 -2,-0.2 0.932 113.0 49.6 -65.8 -45.4 63.0 -30.7 -6.1 57 57 A S H 3<5S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.931 113.7 45.0 -56.9 -48.7 66.3 -31.9 -4.7 58 58 A K H 3<5S- 0 0 65 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.467 119.0-109.2 -81.2 -3.0 65.8 -30.3 -1.3 59 59 A G T <<5S+ 0 0 42 -3,-0.8 -3,-0.2 -4,-0.6 197,-0.2 0.562 83.1 123.6 92.5 10.0 62.2 -31.6 -1.1 60 60 A G S S-C 76 0C 23 3,-1.4 3,-0.9 535,-0.1 -1,-0.2 -0.952 85.7 -74.5-169.5-179.3 29.3 -31.1 -7.1 74 74 A P T 3 S+ 0 0 47 0, 0.0 30,-0.1 0, 0.0 367,-0.1 0.787 131.3 21.4 -63.0 -25.9 28.4 -31.7 -10.7 75 75 A C T 3 S+ 0 0 1 365,-0.5 33,-2.2 32,-0.1 2,-0.3 0.056 113.7 77.5-131.3 24.9 30.6 -28.9 -11.9 76 76 A S E < +Cd 73 108C 4 -3,-0.9 -4,-1.5 31,-0.2 -3,-1.4 -0.995 43.8 154.4-142.4 146.1 33.1 -28.4 -9.1 77 77 A A E -Cd 71 109C 0 31,-1.6 33,-2.4 -2,-0.3 2,-0.4 -0.989 28.2-140.7-159.5 157.1 36.2 -30.1 -7.8 78 78 A I E -Cd 70 110C 2 -8,-2.0 -8,-3.3 -2,-0.3 2,-0.8 -0.998 12.5-152.0-121.6 126.3 39.4 -29.6 -5.8 79 79 A L E -Cd 69 111C 4 31,-3.1 33,-2.9 -2,-0.4 2,-0.7 -0.876 12.4-150.2 -90.5 108.9 42.6 -31.3 -6.9 80 80 A H E -Cd 68 112C 48 -12,-3.2 -12,-2.0 -2,-0.8 33,-0.2 -0.727 17.0-176.0 -78.9 114.7 44.6 -31.8 -3.7 81 81 A A > - 0 0 0 31,-2.8 3,-2.6 -2,-0.7 32,-0.2 0.423 24.3-140.5-103.9 -3.0 48.1 -31.6 -5.2 82 82 A D T 3 S- 0 0 62 30,-0.5 32,-0.2 1,-0.3 31,-0.1 0.800 70.9 -60.5 51.3 34.8 50.3 -32.3 -2.1 83 83 A N T 3 S+ 0 0 25 30,-2.7 -21,-2.6 29,-0.3 -1,-0.3 0.707 89.5 161.4 60.2 25.8 52.8 -29.7 -3.3 84 84 A A B < -b 62 0B 0 -3,-2.6 31,-2.2 29,-0.5 -1,-0.1 -0.169 58.4 -64.4 -54.7 162.4 53.5 -31.5 -6.6 85 85 A A >> - 0 0 6 -23,-0.5 4,-2.3 29,-0.2 3,-0.5 -0.345 49.8-128.2 -52.4 131.6 55.1 -29.4 -9.4 86 86 A G H 3> S+ 0 0 0 30,-0.6 4,-3.4 1,-0.2 5,-0.3 0.838 105.6 56.6 -56.9 -40.6 52.6 -26.7 -10.4 87 87 A Q H 3> S+ 0 0 2 29,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.884 111.6 44.2 -60.1 -41.2 52.7 -27.6 -14.1 88 88 A V H <> S+ 0 0 7 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.930 117.3 43.9 -65.9 -49.6 51.7 -31.2 -13.3 89 89 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.921 114.4 48.6 -65.8 -44.5 49.0 -30.3 -10.8 90 90 A A H X S+ 0 0 0 -4,-3.4 4,-2.0 -5,-0.2 -1,-0.2 0.905 113.0 47.7 -66.1 -39.0 47.5 -27.5 -12.9 91 91 A K H X S+ 0 0 38 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.928 111.2 50.4 -68.4 -44.4 47.4 -29.6 -16.1 92 92 A M H X S+ 0 0 60 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.905 111.8 48.3 -56.3 -44.9 45.8 -32.6 -14.2 93 93 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.868 109.6 52.4 -67.3 -36.3 43.2 -30.3 -12.8 94 94 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.867 104.6 56.2 -69.1 -33.3 42.5 -28.8 -16.2 95 95 A E H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.940 109.5 46.3 -63.0 -41.7 42.0 -32.3 -17.6 96 96 A H H X S+ 0 0 19 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.902 111.1 52.6 -64.4 -39.2 39.3 -32.9 -15.0 97 97 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.905 109.6 48.8 -62.1 -43.3 37.8 -29.4 -15.8 98 98 A I H X S+ 0 0 30 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.939 112.3 47.9 -61.0 -47.2 37.6 -30.2 -19.5 99 99 A K H X S+ 0 0 148 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.905 113.4 48.7 -62.1 -39.3 36.0 -33.6 -18.8 100 100 A T H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 6,-0.3 0.910 111.7 47.1 -69.5 -42.8 33.5 -32.0 -16.4 101 101 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 3,-0.2 -1,-0.2 0.809 107.9 58.6 -69.3 -30.8 32.5 -29.2 -18.9 102 102 A Q H < S+ 0 0 112 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.924 119.4 27.7 -59.6 -46.3 32.1 -31.8 -21.7 103 103 A Q H < S+ 0 0 135 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.1 0.853 137.7 23.6 -85.6 -37.0 29.5 -33.7 -19.7 104 104 A N H < S- 0 0 49 -4,-3.0 307,-0.5 -5,-0.2 2,-0.3 0.329 98.9-117.6-122.7 3.5 27.9 -31.0 -17.5 105 105 A G S < S+ 0 0 0 -4,-1.6 164,-2.9 -5,-0.3 2,-0.3 -0.121 84.7 37.1 99.0 -37.4 28.6 -27.7 -19.4 106 106 A V E - 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