==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-01 1HW6 . COMPND 2 MOLECULE: 2,5-DIKETO-D-GLUCONIC ACID REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM SP.; . AUTHOR G.SANLI,M.BLABER . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.3 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 0 0 0 0 2 1 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A T 0 0 156 0, 0.0 38,-0.0 0, 0.0 238,-0.0 0.000 360.0 360.0 360.0-175.1 5.5 5.9 13.6 2 3 A V - 0 0 29 37,-0.2 2,-0.1 14,-0.1 239,-0.0 -0.590 360.0-138.6 -78.5 120.4 1.9 6.3 14.5 3 4 A P - 0 0 54 0, 0.0 12,-3.2 0, 0.0 2,-0.6 -0.446 12.8-125.7 -78.4 148.0 1.2 7.3 18.1 4 5 A S E -A 14 0A 72 10,-0.2 2,-0.2 -2,-0.1 -2,-0.0 -0.859 21.7-145.9 -98.3 120.3 -1.5 5.8 20.2 5 6 A I E -A 13 0A 20 8,-3.9 8,-2.5 -2,-0.6 2,-0.5 -0.577 18.5-114.7 -84.0 145.9 -4.0 8.2 21.7 6 7 A V E -A 12 0A 105 -2,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.662 27.0-153.9 -82.7 123.4 -5.6 7.6 25.1 7 8 A L > - 0 0 3 4,-3.2 3,-1.6 -2,-0.5 170,-0.1 -0.687 24.6-118.1 -93.0 153.6 -9.3 7.1 25.0 8 9 A N T 3 S+ 0 0 60 168,-0.4 -1,-0.1 -2,-0.3 169,-0.1 0.634 110.3 58.9 -64.1 -16.5 -11.4 7.9 28.1 9 10 A D T 3 S- 0 0 50 2,-0.1 -1,-0.3 144,-0.0 3,-0.1 0.383 124.5 -94.0 -96.2 3.2 -12.6 4.3 28.4 10 11 A G S < S+ 0 0 70 -3,-1.6 2,-0.1 1,-0.4 -2,-0.1 0.206 90.5 115.3 106.9 -16.4 -9.1 2.8 28.8 11 12 A N - 0 0 29 118,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.458 54.5-141.1 -83.5 159.4 -8.5 2.0 25.2 12 13 A S E -A 6 0A 64 -6,-0.2 -6,-0.2 -2,-0.1 -8,-0.0 -0.934 12.6-157.8-121.6 145.4 -5.8 3.5 23.0 13 14 A I E -A 5 0A 0 -8,-2.5 -8,-3.9 -2,-0.4 2,-0.2 -0.973 25.3-111.7-128.1 136.6 -6.2 4.5 19.4 14 15 A P E -A 4 0A 19 0, 0.0 -10,-0.2 0, 0.0 -12,-0.0 -0.477 28.4-137.6 -64.8 126.4 -3.7 5.0 16.6 15 16 A Q S S+ 0 0 14 -12,-3.2 209,-2.4 -2,-0.2 2,-0.5 0.749 87.5 43.7 -57.4 -30.9 -3.8 8.7 15.8 16 17 A L B S+b 224 0B 2 -13,-0.3 25,-0.4 207,-0.2 26,-0.4 -0.980 73.5 176.7-122.6 126.6 -3.7 8.2 12.1 17 18 A G - 0 0 0 207,-2.6 2,-0.6 -2,-0.5 26,-0.2 -0.791 33.0-105.1-126.3 170.3 -5.7 5.5 10.3 18 19 A Y E -c 43 0C 5 24,-4.1 26,-2.8 -2,-0.3 2,-0.8 -0.836 26.5-153.5 -96.1 120.7 -6.5 4.2 6.8 19 20 A G E -c 44 0C 7 207,-0.9 209,-0.3 -2,-0.6 26,-0.2 -0.851 20.3-128.9 -97.5 105.7 -9.9 5.2 5.5 20 21 A V + 0 0 0 24,-2.0 2,-0.4 -2,-0.8 27,-0.2 -0.357 45.3 171.7 -54.3 119.2 -11.0 2.6 3.0 21 22 A F + 0 0 53 207,-0.5 27,-0.1 1,-0.1 -1,-0.0 -0.996 42.8 0.8-146.5 139.2 -11.9 4.7 0.1 22 23 A K S S+ 0 0 155 -2,-0.4 -1,-0.1 25,-0.2 26,-0.1 0.902 85.9 136.0 54.6 48.9 -12.9 4.5 -3.5 23 24 A V - 0 0 20 -3,-0.1 -1,-0.2 3,-0.0 5,-0.1 -0.979 52.4-133.5-129.8 121.2 -12.8 0.7 -3.6 24 25 A P >> - 0 0 83 0, 0.0 3,-1.3 0, 0.0 4,-0.7 -0.332 36.5-104.6 -64.9 153.9 -15.3 -1.6 -5.1 25 26 A P G >4 S+ 0 0 68 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.863 118.5 54.8 -49.9 -41.1 -16.3 -4.5 -2.9 26 27 A A G 34 S+ 0 0 103 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.764 111.8 43.6 -66.0 -27.3 -14.2 -7.0 -4.8 27 28 A D G <> S+ 0 0 35 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.377 87.4 95.4 -98.8 2.0 -10.9 -5.0 -4.5 28 29 A T H S+ 0 0 67 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.966 110.6 47.7 -57.6 -53.2 -9.4 -7.0 0.4 30 31 A R H > S+ 0 0 174 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.876 110.5 52.4 -54.2 -44.8 -6.4 -6.0 -1.7 31 32 A A H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.924 111.5 45.1 -60.1 -48.5 -6.7 -2.4 -0.7 32 33 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.904 110.8 53.3 -64.4 -41.3 -6.7 -3.2 3.1 33 34 A E H X S+ 0 0 73 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.900 108.9 51.7 -60.1 -36.4 -3.8 -5.6 2.7 34 35 A E H X S+ 0 0 63 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.910 109.4 48.0 -65.4 -43.6 -1.9 -2.8 0.9 35 36 A A H X>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 4,-1.9 0.902 111.2 51.7 -64.0 -40.7 -2.6 -0.4 3.8 36 37 A L H <5S+ 0 0 10 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 110.4 48.0 -62.5 -42.1 -1.5 -3.0 6.3 37 38 A E H <5S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 106.9 56.6 -65.6 -40.4 1.7 -3.5 4.4 38 39 A V H <5S- 0 0 29 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.896 129.3 -96.3 -57.7 -40.2 2.3 0.2 4.2 39 40 A G T <5S+ 0 0 31 -4,-1.9 -3,-0.2 1,-0.3 -37,-0.2 0.283 75.0 139.8 141.6 -10.7 2.1 0.3 8.0 40 41 A Y < + 0 0 2 -5,-2.0 -1,-0.3 1,-0.1 -23,-0.1 -0.367 16.7 169.6 -65.0 141.1 -1.5 1.3 8.9 41 42 A R + 0 0 91 -25,-0.4 29,-2.5 1,-0.1 2,-0.6 0.408 62.2 76.5-125.6 -11.9 -3.0 -0.5 11.8 42 43 A H E - d 0 70C 0 -26,-0.4 -24,-4.1 27,-0.2 2,-0.4 -0.937 63.0-176.0-107.8 117.2 -6.1 1.7 12.2 43 44 A I E -cd 18 71C 0 27,-2.6 29,-3.1 -2,-0.6 2,-0.5 -0.955 12.9-164.2-118.4 134.1 -8.7 1.0 9.6 44 45 A D E -cd 19 72C 10 -26,-2.8 -24,-2.0 -2,-0.4 29,-0.2 -0.978 6.2-178.6-118.6 119.4 -12.0 2.9 9.1 45 46 A T > + 0 0 0 27,-2.3 3,-1.9 -2,-0.5 5,-0.5 0.341 50.7 107.4 -99.5 3.5 -14.6 1.2 6.9 46 47 A A G > S+ 0 0 9 1,-0.3 3,-2.2 26,-0.3 -1,-0.2 0.896 74.5 56.6 -46.0 -55.4 -17.3 3.9 7.0 47 48 A A G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -27,-0.2 -25,-0.2 0.561 98.7 63.1 -58.6 -12.2 -16.8 5.0 3.4 48 49 A I G X S- 0 0 11 -3,-1.9 3,-1.4 -27,-0.1 -1,-0.3 0.488 97.9-137.7 -94.4 -2.3 -17.4 1.5 2.1 49 50 A Y T < - 0 0 142 -3,-2.2 -3,-0.1 -4,-0.3 -2,-0.1 0.860 68.9 -40.1 52.7 51.3 -20.9 1.4 3.4 50 51 A G T 3 S+ 0 0 20 -5,-0.5 2,-2.0 1,-0.1 -1,-0.3 0.405 99.6 126.5 84.7 -4.7 -21.1 -2.1 4.9 51 52 A N < + 0 0 62 -3,-1.4 3,-0.3 -6,-0.2 4,-0.2 -0.369 30.5 136.5 -83.2 58.6 -19.1 -3.8 2.1 52 53 A E > + 0 0 1 -2,-2.0 4,-2.2 1,-0.2 3,-0.4 0.414 30.0 96.5 -89.1 -4.6 -16.8 -5.2 4.8 53 54 A E H > S+ 0 0 96 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.941 87.6 49.4 -52.4 -49.8 -16.4 -8.8 3.7 54 55 A G H > S+ 0 0 13 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.820 107.7 55.4 -58.8 -33.2 -13.1 -7.9 1.9 55 56 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 -4,-0.2 -1,-0.2 0.939 106.9 49.7 -65.8 -44.5 -11.9 -6.1 5.1 56 57 A G H X S+ 0 0 5 -4,-2.2 4,-2.6 35,-0.3 -2,-0.2 0.897 109.2 52.5 -58.9 -43.0 -12.5 -9.2 7.1 57 58 A A H X S+ 0 0 33 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.911 109.4 48.5 -60.2 -46.1 -10.5 -11.3 4.6 58 59 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 112.6 47.5 -60.8 -48.6 -7.5 -9.0 4.8 59 60 A I H X S+ 0 0 18 -4,-2.4 4,-0.7 1,-0.2 5,-0.3 0.929 113.0 49.4 -57.9 -47.2 -7.5 -9.0 8.6 60 61 A A H < S+ 0 0 87 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.854 117.7 39.4 -61.2 -38.2 -7.8 -12.7 8.7 61 62 A A H < S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.612 97.5 83.0 -86.9 -15.5 -5.0 -13.2 6.2 62 63 A S H < S- 0 0 37 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.795 84.4-138.1 -59.9 -38.5 -2.8 -10.4 7.6 63 64 A G < + 0 0 78 -4,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.380 56.3 137.7 91.2 -5.1 -1.2 -12.4 10.5 64 65 A I - 0 0 39 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.568 60.7-108.8 -81.2 135.8 -1.6 -9.4 12.8 65 66 A A > - 0 0 51 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.307 23.2-125.5 -60.0 140.7 -2.7 -9.9 16.3 66 67 A R G > S+ 0 0 76 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.893 112.2 58.1 -52.3 -44.4 -6.2 -8.6 16.9 67 68 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.625 100.6 58.2 -61.6 -17.6 -5.0 -6.5 19.7 68 69 A D G < S+ 0 0 93 -3,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.402 97.7 75.7 -95.2 -0.8 -2.6 -4.8 17.2 69 70 A L < - 0 0 6 -3,-2.0 2,-0.5 -4,-0.3 -27,-0.2 -0.849 61.8-157.1-113.3 151.6 -5.5 -3.7 15.0 70 71 A F E -d 42 0C 7 -29,-2.5 -27,-2.6 -2,-0.3 2,-0.6 -0.971 11.4-165.7-130.4 110.5 -8.0 -0.9 15.5 71 72 A I E -d 43 0C 0 -2,-0.5 27,-2.2 -29,-0.2 28,-2.1 -0.895 8.1-176.8-103.9 118.0 -11.2 -1.3 13.6 72 73 A T E +de 44 99C 0 -29,-3.1 -27,-2.3 -2,-0.6 2,-0.3 -0.889 8.1 159.5-115.7 144.1 -13.5 1.7 13.2 73 74 A T E - e 0 100C 5 26,-2.1 28,-1.6 -2,-0.4 2,-0.3 -0.987 19.1-147.2-157.0 161.9 -16.8 2.1 11.7 74 75 A K E - e 0 101C 19 -2,-0.3 2,-0.7 26,-0.2 28,-0.2 -0.974 18.5-125.4-136.6 150.9 -19.9 4.2 11.6 75 76 A L E - e 0 102C 24 26,-3.2 28,-0.6 -2,-0.3 -29,-0.0 -0.835 29.1-173.9 -95.5 116.4 -23.6 4.0 11.2 76 77 A W 0 0 97 -2,-0.7 -1,-0.2 26,-0.1 27,-0.2 0.989 360.0 360.0 -73.3 -86.5 -24.7 6.3 8.4 77 78 A N 0 0 118 26,-0.1 -2,-0.1 25,-0.1 25,-0.0 0.969 360.0 360.0 -56.1 360.0 -28.4 6.6 7.9 78 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 79 84 A D 0 0 116 0, 0.0 36,-0.0 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 94.5 -33.4 1.8 16.6 80 85 A E > + 0 0 98 35,-0.1 4,-2.6 3,-0.0 5,-0.2 0.410 360.0 100.1-172.0 -4.0 -30.9 0.1 14.4 81 86 A P H > S+ 0 0 7 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.950 92.0 51.0 -60.4 -40.2 -27.3 0.6 15.5 82 87 A A H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 112.3 44.3 -59.1 -46.1 -27.4 -2.9 17.1 83 88 A A H > S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 115.5 50.4 -64.8 -39.7 -28.7 -4.5 14.0 84 89 A A H X S+ 0 0 20 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.936 112.6 43.2 -64.0 -51.8 -26.2 -2.6 11.9 85 90 A I H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.902 110.1 56.9 -64.3 -40.7 -23.2 -3.5 14.0 86 91 A A H X S+ 0 0 51 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.906 109.0 47.1 -57.3 -40.6 -24.2 -7.1 14.3 87 92 A E H X S+ 0 0 111 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.861 110.6 51.8 -68.5 -37.8 -24.3 -7.4 10.6 88 93 A S H X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.907 105.3 55.8 -65.9 -40.7 -20.9 -5.7 10.2 89 94 A L H X>S+ 0 0 15 -4,-2.7 5,-2.0 1,-0.2 4,-1.1 0.876 106.8 50.4 -57.9 -41.6 -19.4 -8.1 12.7 90 95 A A H <5S+ 0 0 79 -4,-1.5 3,-0.4 2,-0.2 -1,-0.2 0.935 112.0 46.9 -63.4 -45.8 -20.5 -11.0 10.6 91 96 A K H <5S+ 0 0 52 -4,-1.9 -35,-0.3 1,-0.2 -2,-0.2 0.880 116.6 44.1 -63.1 -39.5 -19.0 -9.5 7.5 92 97 A L H <5S- 0 0 1 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.593 101.7-134.6 -80.5 -13.7 -15.8 -8.7 9.3 93 98 A A T <5 + 0 0 81 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.921 61.9 131.9 55.4 44.9 -15.7 -12.1 11.0 94 99 A L < - 0 0 31 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.882 65.6-135.9-124.8 158.4 -14.9 -10.3 14.2 95 100 A D S S- 0 0 150 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.791 87.4 -14.2 -80.0 -30.3 -16.2 -10.5 17.7 96 101 A Q - 0 0 46 -7,-0.1 -1,-0.3 -4,-0.1 32,-0.3 -0.984 62.0-119.0-165.4 160.2 -16.2 -6.7 18.1 97 102 A V E - f 0 128C 0 30,-2.0 32,-2.0 -2,-0.3 33,-0.2 -0.579 22.5-129.8 -99.4 168.2 -15.0 -3.5 16.5 98 103 A D E S+ 0 0 13 -27,-2.2 32,-1.4 1,-0.3 2,-0.4 0.854 89.1 19.3 -85.5 -38.2 -12.7 -1.0 18.3 99 104 A L E -ef 72 130C 1 -28,-2.1 -26,-2.1 30,-0.2 2,-0.4 -0.998 61.3-174.8-141.1 133.3 -14.8 2.1 17.6 100 105 A Y E -ef 73 131C 4 30,-1.7 32,-2.4 -2,-0.4 2,-0.4 -0.992 7.0-177.3-128.6 131.7 -18.4 2.6 16.6 101 106 A L E -ef 74 132C 1 -28,-1.6 -26,-3.2 -2,-0.4 2,-0.2 -0.982 11.3-148.8-130.5 141.7 -20.0 5.9 15.8 102 107 A V E -e 75 0C 24 30,-0.9 32,-0.3 -2,-0.4 -26,-0.1 -0.629 34.2 -76.8-105.5 168.2 -23.6 6.9 14.9 103 108 A H - 0 0 32 -28,-0.6 31,-0.3 -2,-0.2 -1,-0.2 0.027 55.9 -70.8 -63.0 161.7 -24.9 9.7 12.7 104 109 A W - 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