==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-SEP-04 1XDW . COMPND 2 MOLECULE: NAD+-DEPENDENT (R)-2-HYDROXYGLUTARATE . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDAMINOCOCCUS FERMENTANS; . AUTHOR B.M.MARTINS,S.MACEDO-RIBEIRO,J.BRESSER,W.BUCKEL, . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 1 0.3 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 . 29 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 1 2 2 0 2 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 4 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 25,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.4 50.5 29.7 -17.1 2 2 A K E -a 26 0A 73 23,-0.2 46,-2.1 43,-0.1 45,-1.9 -0.848 360.0-172.7-103.1 122.6 53.6 31.6 -15.9 3 3 A V E -ab 27 48A 0 23,-2.3 25,-2.6 -2,-0.5 2,-0.5 -0.980 13.3-155.5-125.5 123.4 53.4 33.0 -12.3 4 4 A L E -ab 28 49A 0 44,-2.5 46,-3.1 -2,-0.5 2,-0.5 -0.899 11.0-162.7 -99.4 125.7 55.7 35.4 -10.6 5 5 A C E -ab 29 50A 0 23,-2.9 25,-2.8 -2,-0.5 3,-0.4 -0.907 7.9-157.5-112.3 121.2 55.7 35.2 -6.8 6 6 A Y + 0 0 0 44,-2.4 27,-0.2 -2,-0.5 26,-0.1 -0.590 66.6 25.4 -94.8 164.6 57.2 38.1 -4.8 7 7 A G S S+ 0 0 1 25,-2.4 2,-0.7 1,-0.2 -1,-0.2 0.813 76.8 172.0 59.5 31.9 58.6 38.3 -1.3 8 8 A V - 0 0 6 22,-2.7 -1,-0.2 -3,-0.4 2,-0.2 -0.659 21.8-151.0 -83.0 107.7 59.4 34.6 -1.3 9 9 A R >> - 0 0 85 -2,-0.7 3,-1.7 1,-0.1 4,-1.3 -0.506 24.2-118.8 -73.7 147.6 61.4 33.5 1.8 10 10 A D T 34 S+ 0 0 135 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.896 117.4 58.3 -59.9 -31.3 63.7 30.5 1.2 11 11 A V T 34 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.788 104.8 51.7 -66.5 -24.5 61.7 28.7 3.9 12 12 A E T X> S+ 0 0 1 -3,-1.7 4,-2.1 1,-0.2 3,-1.3 0.751 86.6 85.0 -82.4 -26.4 58.5 29.3 1.8 13 13 A L H 3X S+ 0 0 56 -4,-1.3 4,-2.2 -3,-0.4 5,-0.2 0.869 87.1 51.5 -47.3 -47.2 60.0 27.8 -1.5 14 14 A P H 3> S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.824 109.7 52.1 -63.3 -28.4 59.1 24.2 -0.7 15 15 A I H <> S+ 0 0 36 -3,-1.3 4,-2.5 -4,-0.3 5,-0.2 0.903 108.0 48.7 -73.8 -44.7 55.6 25.2 0.0 16 16 A F H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.926 116.6 44.7 -56.2 -42.7 55.2 27.0 -3.3 17 17 A E H >< S+ 0 0 123 -4,-2.2 3,-0.8 -5,-0.2 4,-0.5 0.965 114.5 46.6 -69.1 -48.2 56.6 23.9 -5.0 18 18 A A H >< S+ 0 0 68 -4,-2.7 3,-1.4 1,-0.3 4,-0.3 0.911 112.3 50.0 -64.4 -42.4 54.5 21.3 -3.1 19 19 A C H >< S+ 0 0 20 -4,-2.5 3,-0.5 1,-0.3 -1,-0.3 0.752 101.6 65.1 -67.9 -23.8 51.3 23.2 -3.5 20 20 A N G XX S+ 0 0 24 -4,-0.9 4,-3.1 -3,-0.8 3,-1.6 0.586 75.3 90.9 -73.4 -11.1 51.9 23.5 -7.2 21 21 A K G <4 S+ 0 0 192 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.1 0.904 92.1 40.6 -54.1 -46.0 51.7 19.7 -7.7 22 22 A E G <4 S+ 0 0 127 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.489 122.2 43.6 -82.5 -0.5 47.9 19.9 -8.5 23 23 A F T <4 S- 0 0 38 -3,-1.6 -2,-0.2 -4,-0.1 -1,-0.1 0.757 79.0-152.0-111.8 -38.6 48.3 23.0 -10.6 24 24 A G < + 0 0 64 -4,-3.1 -3,-0.1 1,-0.2 -4,-0.1 0.719 33.7 166.1 72.9 19.0 51.3 22.6 -12.9 25 25 A Y - 0 0 22 -5,-0.3 2,-1.3 1,-0.1 -1,-0.2 -0.330 45.6-119.8 -63.0 152.9 52.0 26.4 -13.0 26 26 A D E -a 2 0A 96 -25,-3.3 -23,-2.3 2,-0.0 2,-0.3 -0.729 48.3-172.3 -89.3 89.8 55.3 27.7 -14.4 27 27 A I E -a 3 0A 38 -2,-1.3 2,-0.4 -25,-0.2 -23,-0.2 -0.628 23.1-172.1 -92.8 143.4 56.3 29.5 -11.2 28 28 A K E -a 4 0A 104 -25,-2.6 -23,-2.9 -2,-0.3 2,-0.5 -0.991 10.1-159.4-126.7 131.7 59.1 31.7 -10.4 29 29 A C E +a 5 0A 35 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.1 -0.892 11.5 178.6-106.0 129.1 59.9 32.9 -6.9 30 30 A V - 0 0 13 -25,-2.8 -22,-2.7 -2,-0.5 -2,-0.0 -0.898 31.4-137.5-122.4 154.9 61.9 36.0 -6.1 31 31 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.652 73.5 105.8 -77.2 -19.8 62.8 37.5 -2.7 32 32 A D - 0 0 63 -25,-0.1 -25,-2.4 -26,-0.1 -24,-0.2 -0.308 63.0-142.1 -63.0 143.2 62.1 41.0 -4.0 33 33 A Y - 0 0 66 -27,-0.2 2,-0.8 -26,-0.1 3,-0.2 -0.527 33.9 -92.5 -87.4 167.9 59.0 42.8 -2.9 34 34 A L S S+ 0 0 0 -2,-0.2 22,-2.8 1,-0.1 3,-0.1 -0.756 83.6 103.9 -84.2 113.5 57.1 45.0 -5.3 35 35 A N + 0 0 74 -2,-0.8 -1,-0.1 1,-0.5 23,-0.1 0.209 59.8 54.1-147.9 -73.9 58.4 48.6 -5.0 36 36 A T S > S- 0 0 62 -3,-0.2 4,-1.5 1,-0.1 -1,-0.5 -0.189 84.4-107.9 -72.8 162.1 60.8 50.0 -7.6 37 37 A K H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 120.5 59.3 -47.6 -44.9 60.1 50.1 -11.3 38 38 A E H > S+ 0 0 100 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 101.7 52.7 -63.2 -37.7 62.7 47.4 -11.8 39 39 A T H 4 S+ 0 0 6 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.880 110.1 49.1 -63.0 -32.6 60.7 45.0 -9.4 40 40 A A H >< S+ 0 0 0 -4,-1.5 3,-1.9 1,-0.2 -2,-0.2 0.930 105.4 57.7 -71.6 -39.2 57.6 45.6 -11.5 41 41 A E H >< S+ 0 0 95 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.742 87.5 76.9 -62.8 -23.4 59.6 44.9 -14.7 42 42 A M T 3< S+ 0 0 67 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.753 82.2 69.2 -55.9 -23.0 60.5 41.4 -13.3 43 43 A A T X + 0 0 0 -3,-1.9 3,-2.2 -4,-0.3 -1,-0.3 0.435 68.3 131.2 -79.2 5.3 57.0 40.5 -14.4 44 44 A A T < S+ 0 0 51 -3,-2.4 3,-0.1 1,-0.3 25,-0.1 -0.337 78.5 13.9 -57.2 130.1 57.9 40.7 -18.1 45 45 A G T 3 S+ 0 0 51 23,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.306 102.5 119.9 92.1 -12.6 56.7 37.6 -19.8 46 46 A F < - 0 0 17 -3,-2.2 -1,-0.3 1,-0.1 -43,-0.2 -0.658 51.5-157.3 -95.5 149.7 54.5 36.5 -16.9 47 47 A D S S+ 0 0 45 -45,-1.9 24,-2.4 -2,-0.3 25,-1.8 0.783 78.8 18.0 -89.9 -33.7 50.7 35.9 -16.9 48 48 A A E -bc 3 72A 0 -46,-2.1 -44,-2.5 23,-0.2 2,-0.4 -0.981 60.7-151.9-138.3 152.4 50.1 36.4 -13.2 49 49 A V E -bc 4 73A 0 23,-1.9 25,-2.7 -2,-0.3 2,-0.6 -0.952 6.9-153.2-116.2 141.3 51.8 37.8 -10.2 50 50 A I E -bc 5 74A 0 -46,-3.1 -44,-2.4 -2,-0.4 25,-0.2 -0.956 24.1-175.8-114.5 105.5 51.4 36.7 -6.6 51 51 A L E - c 0 75A 0 23,-3.1 25,-2.7 -2,-0.6 2,-0.2 -0.381 7.7-168.0 -82.4 170.7 52.1 39.7 -4.3 52 52 A R > - 0 0 35 1,-0.3 3,-0.9 23,-0.2 -18,-0.1 -0.699 46.6 -42.3-139.3-166.3 52.2 39.7 -0.6 53 53 A G T 3 S+ 0 0 24 -2,-0.2 -1,-0.3 1,-0.2 3,-0.1 -0.192 124.7 28.1 -54.3 156.5 52.3 42.5 2.0 54 54 A N T 3 S+ 0 0 83 1,-0.2 2,-0.6 -21,-0.1 -1,-0.2 0.719 85.5 124.3 57.8 26.4 54.6 45.5 1.2 55 55 A C < - 0 0 0 -3,-0.9 2,-1.1 -22,-0.2 -20,-0.2 -0.935 55.5-148.8-115.0 97.7 54.2 44.8 -2.5 56 56 A F - 0 0 90 -22,-2.8 2,-1.9 -2,-0.6 5,-0.2 -0.581 18.4-175.4 -85.8 94.2 52.9 48.2 -3.7 57 57 A A B +f 83 0B 0 25,-1.7 27,-2.7 -2,-1.1 31,-0.2 -0.639 34.6 152.9 -84.6 72.4 50.7 47.7 -6.8 58 58 A N > - 0 0 63 -2,-1.9 4,-3.3 25,-0.2 5,-0.4 -0.341 64.3 -81.4 -94.0 179.0 50.4 51.6 -7.2 59 59 A K H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.946 129.5 50.6 -50.2 -51.8 49.7 53.5 -10.4 60 60 A Q H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 116.7 39.4 -49.8 -51.0 53.4 53.3 -11.5 61 61 A N H > S+ 0 0 0 -5,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 114.4 51.8 -79.7 -31.8 53.6 49.5 -11.0 62 62 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.908 108.6 51.9 -67.7 -38.5 50.2 48.7 -12.3 63 63 A D H X S+ 0 0 71 -4,-2.7 4,-2.5 -5,-0.4 -2,-0.2 0.904 110.1 49.7 -62.1 -38.0 50.9 50.7 -15.5 64 64 A I H X S+ 0 0 24 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.913 109.8 50.2 -65.7 -44.4 54.1 48.7 -15.9 65 65 A Y H X>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 4,-0.8 0.894 111.8 48.5 -58.4 -44.0 52.1 45.4 -15.4 66 66 A K H ><5S+ 0 0 114 -4,-2.4 3,-1.4 2,-0.2 -2,-0.2 0.974 111.0 49.9 -60.5 -51.7 49.5 46.5 -18.1 67 67 A K H 3<5S+ 0 0 191 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 112.2 49.1 -53.4 -40.1 52.3 47.5 -20.5 68 68 A L H 3<5S- 0 0 51 -4,-2.1 -23,-0.5 -5,-0.2 -1,-0.3 0.612 115.2-117.7 -80.4 -10.8 53.9 44.1 -19.9 69 69 A G T <<5 + 0 0 43 -3,-1.4 -3,-0.2 -4,-0.8 2,-0.2 0.745 47.3 170.5 84.0 25.1 50.6 42.3 -20.5 70 70 A V < - 0 0 7 -5,-2.4 -1,-0.2 1,-0.1 -23,-0.2 -0.525 14.4-167.1 -66.1 133.8 50.2 40.7 -17.0 71 71 A K + 0 0 123 -24,-2.4 2,-0.4 1,-0.2 -23,-0.2 0.757 62.2 33.0 -97.4 -29.6 46.7 39.2 -16.9 72 72 A Y E -c 48 0A 39 -25,-1.8 -23,-1.9 21,-0.1 2,-0.5 -0.988 56.4-163.2-138.7 133.9 46.0 38.4 -13.1 73 73 A I E +cd 49 95A 0 21,-1.9 23,-0.9 -2,-0.4 2,-0.3 -0.969 18.9 175.4-122.7 113.5 47.2 40.1 -9.9 74 74 A L E -cd 50 96A 0 -25,-2.7 -23,-3.1 -2,-0.5 2,-0.4 -0.795 18.8-156.9-114.7 151.4 46.9 38.1 -6.8 75 75 A T E -c 51 0A 0 21,-1.9 2,-1.2 -2,-0.3 -23,-0.2 -0.996 14.8-144.7-126.6 131.8 47.9 38.8 -3.2 76 76 A R S S+ 0 0 4 -25,-2.7 2,-0.3 -2,-0.4 -23,-0.1 -0.260 73.3 83.2 -86.3 47.0 48.5 35.9 -0.8 77 77 A T S S- 0 0 19 -2,-1.2 21,-2.5 2,-0.2 -2,-0.1 -0.959 79.1-127.3-148.1 161.3 47.1 37.9 2.1 78 78 A A S S+ 0 0 37 -2,-0.3 2,-0.1 19,-0.2 -1,-0.1 0.834 94.7 74.7 -82.8 -33.6 43.9 38.9 3.9 79 79 A G + 0 0 23 1,-0.1 19,-0.2 19,-0.1 -2,-0.2 -0.489 51.0 174.9 -78.6 142.3 45.0 42.6 3.6 80 80 A T > + 0 0 16 -2,-0.1 3,-2.0 17,-0.1 5,-0.2 0.232 45.9 110.2-129.3 10.8 44.8 44.4 0.3 81 81 A D T 3 S+ 0 0 136 1,-0.3 4,-0.0 3,-0.1 -28,-0.0 0.704 70.4 68.8 -66.8 -17.7 45.8 48.0 1.2 82 82 A H T 3 S+ 0 0 25 -26,-0.1 -25,-1.7 2,-0.1 2,-0.4 0.589 92.3 75.0 -73.1 -11.7 49.1 47.6 -0.7 83 83 A I B < S-f 57 0B 7 -3,-2.0 2,-1.6 -27,-0.2 -25,-0.2 -0.895 79.8-136.8-104.2 136.7 47.1 47.5 -3.9 84 84 A D > - 0 0 66 -27,-2.7 4,-2.4 -2,-0.4 5,-0.1 -0.689 30.7-179.9 -86.7 87.3 45.4 50.5 -5.5 85 85 A K H > S+ 0 0 72 -2,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.837 72.1 53.6 -67.6 -34.0 42.3 48.6 -6.2 86 86 A E H > S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 112.7 43.9 -68.9 -43.4 40.4 51.5 -7.9 87 87 A Y H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 111.6 53.5 -70.3 -39.3 43.1 52.1 -10.3 88 88 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.905 110.3 48.1 -57.6 -42.2 43.6 48.3 -11.0 89 89 A K H ><5S+ 0 0 154 -4,-2.3 3,-2.1 3,-0.2 -2,-0.2 0.948 107.2 55.9 -61.9 -49.0 39.8 48.0 -11.8 90 90 A E H 3<5S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.904 109.7 46.9 -50.4 -40.4 40.1 51.1 -14.1 91 91 A L T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.507 118.8-114.3 -82.2 -4.4 42.9 49.2 -15.9 92 92 A G T < 5 + 0 0 58 -3,-2.1 -3,-0.2 -4,-0.3 -2,-0.1 0.652 57.1 159.2 85.2 14.8 40.7 46.0 -16.1 93 93 A F < - 0 0 17 -5,-2.4 2,-0.3 -21,-0.1 -1,-0.2 -0.599 35.4-141.5 -75.9 119.2 42.9 43.8 -13.8 94 94 A P - 0 0 30 0, 0.0 -21,-1.9 0, 0.0 2,-0.3 -0.691 30.4-175.5 -71.3 133.4 41.1 40.8 -12.3 95 95 A M E -d 73 0A 7 -2,-0.3 235,-2.6 235,-0.3 2,-0.3 -0.947 14.6-173.0-135.9 154.3 42.5 40.4 -8.7 96 96 A A E -dE 74 329A 0 -23,-0.9 -21,-1.9 233,-0.3 2,-0.2 -0.951 1.6-171.7-144.4 155.9 42.0 37.9 -5.8 97 97 A F - 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