==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-OCT-09 3KBO . COMPND 2 MOLECULE: GLYOXYLATE/HYDROXYPYRUVATE REDUCTASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR G.MINASOV,Z.WAWRZAK,T.SKARINA,O.ONOPRIYENKO,L.PAPAZISI,A.SAV . 1248 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 205 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 119 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.7 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 7 2 3 0 3 3 6 8 0 0 0 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 23 7 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 . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 4 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 X 0 0 60 0, 0.0 26,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.7 21.2 -11.2 -26.6 2 2 A E E -a 27 0A 84 24,-0.2 38,-2.4 26,-0.0 39,-1.9 -0.862 360.0-167.3-103.5 134.3 20.1 -7.6 -27.0 3 3 A I E -ab 28 41A 0 24,-2.4 26,-2.1 -2,-0.4 2,-0.4 -0.996 5.6-156.9-127.9 132.8 20.4 -5.3 -24.0 4 4 A I E -ab 29 42A 0 37,-2.3 39,-3.1 -2,-0.4 2,-0.4 -0.881 11.0-165.5-109.8 141.2 18.9 -1.8 -23.6 5 5 A F E +ab 30 43A 2 24,-2.0 26,-3.4 -2,-0.4 2,-0.3 -0.973 12.1 169.9-129.0 143.8 20.3 0.8 -21.3 6 6 A Y E + b 0 44A 53 37,-1.9 39,-0.5 -2,-0.4 26,-0.1 -0.946 6.5 157.2-155.0 131.8 19.0 4.1 -19.8 7 7 A H - 0 0 16 -2,-0.3 5,-0.2 3,-0.2 39,-0.1 -0.962 34.7-138.3-150.6 136.5 20.2 6.4 -17.1 8 8 A P S S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.892 97.0 10.8 -68.3 -36.1 19.3 10.1 -16.8 9 9 A T S S+ 0 0 120 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.728 100.3 95.5-115.2 -29.6 22.8 11.4 -15.9 10 10 A F S S- 0 0 61 1,-0.1 2,-0.9 2,-0.1 -3,-0.2 -0.152 86.8 -94.1 -63.1 161.8 25.5 8.7 -16.4 11 11 A N > - 0 0 102 1,-0.2 4,-1.9 2,-0.0 3,-0.3 -0.689 33.1-162.3 -82.6 107.0 27.4 8.6 -19.6 12 12 A A H > S+ 0 0 13 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.865 87.6 57.3 -55.9 -41.4 25.6 6.1 -21.9 13 13 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 106.5 49.2 -59.5 -42.0 28.6 5.7 -24.2 14 14 A W H > S+ 0 0 119 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.937 113.9 44.5 -64.1 -47.8 30.8 4.6 -21.3 15 15 A W H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.875 111.3 52.6 -66.3 -39.2 28.3 2.0 -20.0 16 16 A V H X S+ 0 0 25 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.951 113.4 44.8 -60.5 -48.5 27.4 0.6 -23.4 17 17 A N H X S+ 0 0 85 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.934 114.4 47.5 -58.7 -53.3 31.1 0.1 -24.1 18 18 A A H X S+ 0 0 13 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.896 113.9 48.2 -57.4 -42.0 31.9 -1.4 -20.7 19 19 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.878 109.2 51.1 -71.9 -39.3 28.9 -3.7 -20.9 20 20 A E H < S+ 0 0 69 -4,-2.3 6,-0.3 -5,-0.2 -1,-0.2 0.910 113.9 46.6 -65.1 -38.6 29.7 -5.0 -24.4 21 21 A K H < S+ 0 0 146 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.782 112.2 47.4 -75.1 -21.8 33.2 -5.7 -23.2 22 22 A A H < S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.787 125.7 34.9 -79.0 -30.6 32.1 -7.4 -20.1 23 23 A L S >< S- 0 0 6 -4,-2.2 3,-2.4 -5,-0.2 -1,-0.3 -0.727 71.0-179.3-124.7 81.4 29.6 -9.3 -22.3 24 24 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.758 82.2 54.8 -50.3 -35.3 31.3 -10.0 -25.8 25 25 A H T 3 S+ 0 0 170 2,-0.0 2,-0.3 -4,-0.0 -5,-0.1 0.305 92.6 99.2 -83.7 8.8 28.2 -11.8 -27.2 26 26 A A < - 0 0 5 -3,-2.4 2,-0.7 -6,-0.3 -24,-0.2 -0.763 60.1-152.1-104.1 146.3 25.9 -8.8 -26.3 27 27 A R E -a 2 0A 176 -26,-2.2 -24,-2.4 -2,-0.3 2,-0.4 -0.955 28.5-172.2-109.0 103.6 24.5 -6.1 -28.6 28 28 A V E +a 3 0A 10 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.800 6.9 175.7-103.9 142.2 24.0 -3.2 -26.1 29 29 A R E -a 4 0A 48 -26,-2.1 -24,-2.0 -2,-0.4 2,-0.3 -0.999 35.0-111.8-147.1 149.0 22.3 0.1 -26.9 30 30 A E E -a 5 0A 87 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.619 39.8-130.3 -74.0 133.5 21.2 3.2 -25.3 31 31 A W + 0 0 9 -26,-3.4 2,-0.3 -2,-0.3 20,-0.0 -0.627 33.2 170.8 -83.6 145.0 17.4 3.3 -25.2 32 32 A K > - 0 0 137 -2,-0.3 3,-2.4 -26,-0.1 -26,-0.0 -0.971 45.5 -69.7-148.5 160.9 15.6 6.5 -26.5 33 33 A V T 3 S+ 0 0 105 -2,-0.3 3,-0.1 1,-0.3 18,-0.0 -0.201 121.3 35.1 -49.6 136.2 12.1 7.5 -27.3 34 34 A G T 3 S+ 0 0 56 1,-0.2 2,-1.1 3,-0.0 -1,-0.3 0.199 80.7 128.8 99.8 -15.5 11.0 5.7 -30.4 35 35 A D < + 0 0 22 -3,-2.4 -1,-0.2 1,-0.2 -4,-0.0 -0.656 14.6 151.3 -80.5 101.7 12.9 2.5 -29.6 36 36 A N + 0 0 142 -2,-1.1 -1,-0.2 -3,-0.1 -3,-0.0 0.056 31.9 122.7-111.9 19.1 10.3 -0.2 -30.0 37 37 A N - 0 0 104 1,-0.1 -3,-0.0 -3,-0.0 -2,-0.0 -0.429 69.9 -89.9 -81.4 160.9 12.8 -2.9 -31.0 38 38 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.228 43.1-176.3 -69.6 160.3 13.0 -6.1 -29.0 39 39 A A - 0 0 3 17,-0.5 -36,-0.2 1,-0.1 17,-0.1 -0.974 26.1-158.7-149.9 152.3 15.4 -6.6 -26.0 40 40 A D S S+ 0 0 47 -38,-2.4 18,-3.2 -2,-0.3 19,-1.0 0.740 83.6 21.5 -98.4 -39.2 16.3 -9.4 -23.7 41 41 A Y E -bc 3 59A 3 -39,-1.9 -37,-2.3 16,-0.2 2,-0.4 -0.912 62.4-158.6-130.2 157.0 17.7 -7.3 -20.9 42 42 A A E -bc 4 60A 0 17,-1.4 19,-3.1 -2,-0.3 2,-0.6 -0.999 3.7-161.4-136.0 131.1 17.2 -3.8 -19.7 43 43 A L E +bc 5 61A 0 -39,-3.1 -37,-1.9 -2,-0.4 2,-0.3 -0.974 33.2 167.3-108.8 120.2 19.6 -1.7 -17.4 44 44 A V E -bc 6 62A 0 17,-2.8 19,-3.4 -2,-0.6 2,-0.3 -0.935 33.9-176.7-141.3 161.5 17.7 1.2 -16.0 45 45 A W S S- 0 0 44 -39,-0.5 22,-0.1 -2,-0.3 -2,-0.0 -0.911 85.8 -16.3-153.6 123.8 17.5 4.0 -13.5 46 46 A Q S S- 0 0 114 -2,-0.3 -39,-0.1 1,-0.1 16,-0.0 0.899 89.7-174.2 45.7 48.5 14.4 6.3 -13.2 47 47 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.431 28.2-106.4 -74.7 149.7 13.2 5.1 -16.6 48 48 A P >> - 0 0 43 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.425 28.7-120.8 -67.7 149.2 10.2 6.5 -18.4 49 49 A V H 3> S+ 0 0 36 1,-0.3 4,-3.0 2,-0.2 3,-0.5 0.869 110.8 64.7 -59.8 -39.5 7.2 4.1 -18.3 50 50 A E H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.786 94.8 61.6 -56.7 -27.1 7.1 4.0 -22.1 51 51 A X H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.935 120.9 18.7 -67.6 -46.1 10.5 2.3 -22.1 52 52 A L H >< S+ 0 0 1 -4,-0.8 3,-1.9 -3,-0.5 -2,-0.2 0.735 94.6 113.4 -98.1 -25.3 9.5 -0.8 -20.2 53 53 A A T 3< S+ 0 0 27 -4,-3.0 27,-0.3 1,-0.3 26,-0.1 -0.241 92.5 4.6 -51.6 121.5 5.7 -0.7 -20.6 54 54 A G T 3 S+ 0 0 55 25,-1.9 -1,-0.3 1,-0.2 26,-0.1 0.093 97.2 142.5 91.3 -20.2 4.6 -3.7 -22.8 55 55 A R < - 0 0 33 -3,-1.9 2,-0.7 25,-0.2 27,-0.4 -0.218 46.3-145.5 -66.5 140.1 8.1 -5.2 -23.0 56 56 A R + 0 0 227 -17,-0.1 -17,-0.5 25,-0.1 2,-0.3 -0.917 38.1 162.5 -99.9 113.3 8.9 -9.0 -23.0 57 57 A L - 0 0 19 -2,-0.7 -16,-0.2 1,-0.1 -17,-0.1 -0.898 49.0-139.9-132.1 157.2 12.3 -9.2 -21.1 58 58 A K S S- 0 0 108 -18,-3.2 2,-0.3 1,-0.3 -17,-0.2 0.727 88.7 -16.4 -85.7 -26.2 14.3 -11.9 -19.4 59 59 A A E -c 41 0A 0 -19,-1.0 -17,-1.4 26,-0.1 2,-0.5 -0.944 51.5-137.7-173.2 154.9 15.2 -9.4 -16.6 60 60 A V E -cd 42 87A 0 26,-1.9 28,-2.9 -2,-0.3 2,-0.6 -0.981 16.9-158.6-120.4 124.4 15.4 -5.7 -15.6 61 61 A F E -cd 43 88A 1 -19,-3.1 -17,-2.8 -2,-0.5 2,-0.3 -0.939 9.1-149.6-106.0 113.1 18.4 -4.5 -13.7 62 62 A V E -c 44 0A 4 26,-3.0 2,-1.2 -2,-0.6 -17,-0.2 -0.659 16.3-131.4 -81.2 134.2 17.8 -1.3 -11.7 63 63 A L S S+ 0 0 5 -19,-3.4 2,-0.3 -2,-0.3 217,-0.2 -0.312 78.4 33.1 -88.7 53.9 21.0 0.8 -11.5 64 64 A G S S- 0 0 6 -2,-1.2 26,-3.3 1,-0.1 -2,-0.1 -0.965 90.6 -90.7 179.6 179.9 20.9 1.4 -7.7 65 65 A A S S+ 0 0 23 -2,-0.3 2,-0.3 24,-0.2 -1,-0.1 0.835 101.7 70.6 -79.1 -37.8 20.0 0.0 -4.3 66 66 A G - 0 0 17 1,-0.1 3,-0.1 160,-0.1 24,-0.1 -0.682 51.8-178.1 -87.6 137.9 16.4 1.4 -4.3 67 67 A V > + 0 0 9 -2,-0.3 4,-1.9 244,-0.1 3,-0.4 0.244 53.8 105.2-116.5 10.9 13.7 0.0 -6.6 68 68 A D H > + 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.810 69.5 69.0 -64.4 -30.4 10.8 2.3 -5.6 69 69 A A H 4 S+ 0 0 22 2,-0.2 4,-0.4 3,-0.1 -1,-0.2 0.953 113.5 29.3 -49.2 -55.6 11.1 4.3 -8.9 70 70 A I H >4 S+ 0 0 2 -3,-0.4 3,-2.3 2,-0.1 4,-0.3 0.999 123.9 45.6 -66.6 -70.7 9.9 1.2 -10.8 71 71 A L H >X S+ 0 0 32 -4,-1.9 3,-3.3 1,-0.3 4,-0.6 0.839 101.8 64.3 -43.0 -52.3 7.7 -0.5 -8.2 72 72 A S T 3< S+ 0 0 83 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.754 105.5 49.9 -48.2 -24.7 5.8 2.7 -7.1 73 73 A K T <> S+ 0 0 71 -3,-2.3 4,-2.0 -4,-0.4 -1,-0.3 0.551 89.2 82.4 -92.1 -7.9 4.5 2.8 -10.7 74 74 A L T <4 S+ 0 0 28 -3,-3.3 -1,-0.2 -4,-0.3 -2,-0.2 0.839 80.7 61.1 -71.6 -35.2 3.3 -0.9 -10.9 75 75 A N T < S+ 0 0 161 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.980 118.8 29.7 -52.3 -57.8 -0.1 -0.5 -9.3 76 76 A A T 4 S+ 0 0 73 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 135.4 34.2 -72.0 -28.0 -1.2 2.0 -11.9 77 77 A H >< + 0 0 63 -4,-2.0 3,-1.1 1,-0.1 4,-0.5 -0.658 56.6 154.2-132.3 76.3 1.0 0.4 -14.6 78 78 A P G > S+ 0 0 88 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.761 74.7 73.8 -68.2 -27.0 1.3 -3.4 -14.1 79 79 A E G 3 S+ 0 0 100 1,-0.2 -25,-1.9 -3,-0.1 3,-0.5 0.730 82.9 68.9 -51.2 -30.6 2.0 -3.4 -17.8 80 80 A X G < S+ 0 0 3 -3,-1.1 2,-0.4 1,-0.3 -1,-0.2 0.941 114.0 18.3 -62.5 -49.0 5.5 -2.0 -17.1 81 81 A L S < S- 0 0 4 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 -0.720 82.6-140.3-130.5 83.3 6.9 -5.1 -15.5 82 82 A D > - 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