==== 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 07-OCT-09 3K5P . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 400 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.2 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 . 2 0.5 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 . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 3 1 1 3 0 1 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 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 . 2 0 0 0 0 1 2 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 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 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 8 A S > 0 0 109 0, 0.0 3,-0.7 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 127.9 43.6 23.0 8.9 2 9 A R G > + 0 0 70 1,-0.2 3,-1.9 2,-0.2 26,-0.4 0.688 360.0 73.9 -84.4 -19.8 41.1 22.4 6.1 3 10 A D G 3 S+ 0 0 88 1,-0.3 -1,-0.2 23,-0.1 23,-0.1 0.626 91.3 61.1 -69.9 -10.8 42.5 19.0 5.2 4 11 A R G < S+ 0 0 59 -3,-0.7 2,-0.7 2,-0.1 -1,-0.3 0.495 80.6 99.7 -86.0 -8.9 40.9 17.8 8.5 5 12 A I S < S- 0 0 39 -3,-1.9 2,-0.7 44,-0.1 23,-0.3 -0.738 73.3-138.5 -86.5 114.5 37.4 18.8 7.2 6 13 A N - 0 0 45 -2,-0.7 43,-2.6 41,-0.3 44,-2.2 -0.647 20.3-170.9 -79.3 111.4 35.7 15.6 6.0 7 14 A V E -ab 29 50A 2 21,-2.9 23,-2.9 -2,-0.7 2,-0.5 -0.915 1.2-168.7-104.8 123.8 33.9 16.2 2.7 8 15 A L E -ab 30 51A 11 42,-3.0 44,-2.6 -2,-0.5 2,-0.5 -0.958 2.3-170.7-115.3 120.2 31.6 13.4 1.5 9 16 A L E -ab 31 52A 0 21,-3.6 23,-3.4 -2,-0.5 2,-0.2 -0.935 8.5-169.2-116.1 128.0 30.2 13.6 -2.1 10 17 A L + 0 0 0 42,-2.7 3,-0.4 -2,-0.5 25,-0.2 -0.693 51.4 25.0-115.0 163.9 27.5 11.2 -3.4 11 18 A E S S- 0 0 20 23,-2.3 23,-0.2 -2,-0.2 -1,-0.2 0.730 119.0 -61.0 63.0 29.5 25.8 10.2 -6.6 12 19 A G - 0 0 33 20,-2.7 -1,-0.2 22,-0.2 3,-0.1 0.936 68.7-167.1 67.8 45.2 28.5 11.1 -9.2 13 20 A I - 0 0 4 19,-0.5 -1,-0.1 -3,-0.4 5,-0.1 -0.411 38.2 -83.7 -60.7 140.2 28.6 14.9 -8.5 14 21 A S >> - 0 0 25 277,-0.3 3,-1.7 1,-0.1 4,-0.7 -0.120 30.8-122.1 -52.5 145.2 30.5 16.6 -11.2 15 22 A Q H 3> S+ 0 0 99 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.659 106.9 76.8 -59.7 -21.6 34.3 16.7 -11.0 16 23 A T H 3> S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.805 94.4 52.0 -59.4 -28.8 34.2 20.6 -11.0 17 24 A A H <> S+ 0 0 0 -3,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.947 107.1 49.8 -71.6 -47.6 33.0 20.2 -7.3 18 25 A V H X S+ 0 0 10 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.881 113.6 47.4 -57.5 -40.1 36.0 18.0 -6.3 19 26 A E H X S+ 0 0 85 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.883 108.6 52.8 -72.2 -38.3 38.4 20.5 -7.9 20 27 A Y H X S+ 0 0 79 -4,-1.6 4,-0.8 -5,-0.2 6,-0.2 0.919 110.1 48.9 -64.6 -43.8 36.9 23.5 -6.4 21 28 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 3,-0.8 0.941 112.6 48.4 -57.1 -50.4 37.2 21.9 -2.9 22 29 A K H ><5S+ 0 0 86 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.917 109.3 50.2 -57.0 -50.9 40.8 21.0 -3.5 23 30 A S H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 108.4 56.0 -64.5 -16.7 41.9 24.4 -4.8 24 31 A S T <<5S- 0 0 31 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.321 126.2-101.7 -93.3 1.1 40.2 25.9 -1.6 25 32 A G T < 5S+ 0 0 30 -3,-2.1 2,-1.7 1,-0.2 3,-0.2 0.378 86.7 128.0 89.0 -1.9 42.4 23.7 0.6 26 33 A Y < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 -23,-0.1 -0.603 21.3 151.3 -85.3 79.5 39.6 21.2 1.2 27 34 A T + 0 0 76 -2,-1.7 2,-2.0 1,-0.2 -1,-0.2 0.660 43.3 89.8 -86.3 -18.4 41.6 18.1 0.2 28 35 A N + 0 0 62 -26,-0.4 -21,-2.9 -23,-0.3 2,-0.5 -0.466 59.2 152.0 -81.9 76.0 39.8 15.5 2.4 29 36 A V E -a 7 0A 30 -2,-2.0 2,-0.6 -23,-0.2 -21,-0.2 -0.916 32.4-168.6-118.3 119.1 37.2 14.5 -0.2 30 37 A T E -a 8 0A 75 -23,-2.9 -21,-3.6 -2,-0.5 2,-0.5 -0.942 17.5-170.7 -99.4 121.2 35.5 11.2 -0.5 31 38 A H E -a 9 0A 70 -2,-0.6 -21,-0.2 -23,-0.2 -23,-0.0 -0.968 3.5-172.6-120.9 118.0 33.6 11.1 -3.8 32 39 A L - 0 0 40 -23,-3.4 -20,-2.7 -2,-0.5 -19,-0.5 -0.838 24.5-146.6-112.5 148.7 31.2 8.3 -4.7 33 40 A P S S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 0.579 79.8 50.2 -84.9 -5.1 29.4 7.6 -8.0 34 41 A K S S- 0 0 52 -23,-0.2 -23,-2.3 1,-0.0 -22,-0.2 -0.735 83.3-100.9-129.3 166.7 26.3 6.3 -6.3 35 42 A A - 0 0 45 -2,-0.2 2,-0.3 -25,-0.2 18,-0.0 -0.519 40.0-130.0 -79.1 157.3 23.6 6.9 -3.7 36 43 A L - 0 0 37 -2,-0.2 2,-0.1 2,-0.0 -26,-0.0 -0.827 14.3-116.5-108.4 150.0 24.0 5.0 -0.4 37 44 A D > - 0 0 91 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.394 41.7 -94.6 -72.8 163.6 21.4 3.0 1.5 38 45 A K H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.873 125.5 48.0 -41.3 -49.9 20.2 4.1 5.0 39 46 A A H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 114.6 41.7 -67.3 -47.4 22.8 1.9 6.7 40 47 A D H > S+ 0 0 88 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.854 114.8 54.0 -66.0 -36.2 25.8 2.9 4.6 41 48 A L H X S+ 0 0 4 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.951 106.6 50.0 -64.5 -48.9 24.7 6.5 4.8 42 49 A I H X S+ 0 0 57 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.923 116.7 43.4 -53.1 -47.1 24.5 6.4 8.6 43 50 A K H < S+ 0 0 67 -4,-1.9 4,-0.4 2,-0.2 3,-0.3 0.948 117.8 42.8 -61.7 -53.1 28.1 4.9 8.7 44 51 A A H >< S+ 0 0 36 -4,-3.2 3,-0.6 1,-0.2 4,-0.2 0.851 116.2 46.7 -67.7 -36.6 29.6 7.2 6.0 45 52 A I H >< S+ 0 0 0 -4,-3.1 3,-1.3 -5,-0.2 24,-0.4 0.709 87.0 92.4 -78.1 -21.5 28.0 10.4 7.3 46 53 A S T 3< S+ 0 0 45 -4,-1.1 22,-0.5 -5,-0.3 23,-0.4 0.780 103.3 21.8 -43.6 -37.5 28.9 9.6 11.0 47 54 A S T < S+ 0 0 52 -3,-0.6 -41,-0.3 -4,-0.4 -1,-0.3 0.358 96.0 123.7-116.5 3.9 32.2 11.6 10.6 48 55 A A < - 0 0 2 -3,-1.3 21,-0.3 -4,-0.2 -41,-0.2 -0.423 35.5-175.7 -66.8 134.2 31.3 13.9 7.7 49 56 A H S S+ 0 0 36 -43,-2.6 22,-3.4 1,-0.3 23,-1.3 0.788 79.8 23.5 -90.0 -40.8 31.6 17.7 8.1 50 57 A I E S-bc 7 72A 0 -44,-2.2 -42,-3.0 20,-0.2 2,-0.4 -0.995 70.3-167.7-130.0 130.1 30.2 18.5 4.7 51 58 A I E -bc 8 73A 0 21,-1.9 23,-3.1 -2,-0.4 2,-0.4 -0.974 3.9-164.9-119.7 137.0 27.9 16.3 2.5 52 59 A G E +bc 9 74A 0 -44,-2.6 -42,-2.7 -2,-0.4 2,-0.3 -0.980 18.5 168.9-115.3 131.8 27.0 16.8 -1.1 53 60 A I E - c 0 75A 0 21,-2.5 23,-3.0 -2,-0.4 2,-0.1 -0.811 20.6-153.6-131.2 169.7 24.0 14.8 -2.6 54 61 A R - 0 0 76 -2,-0.3 23,-0.1 21,-0.2 28,-0.1 -0.117 57.8 -52.8-118.9-134.1 21.9 14.7 -5.7 55 62 A S S S+ 0 0 96 1,-0.2 22,-0.0 21,-0.2 -44,-0.0 0.629 123.3 50.9 -89.3 -13.0 18.3 13.5 -6.1 56 63 A R S S+ 0 0 58 2,-0.0 2,-0.3 -45,-0.0 -1,-0.2 0.808 82.4 90.6 -98.7 -31.2 18.4 10.0 -4.6 57 64 A T - 0 0 3 1,-0.1 2,-0.6 -20,-0.0 -20,-0.1 -0.501 65.9-147.9 -70.3 126.2 20.0 10.4 -1.2 58 65 A Q - 0 0 143 -2,-0.3 2,-0.8 25,-0.1 25,-0.2 -0.850 8.1-163.3-101.5 119.7 17.3 11.1 1.5 59 66 A L B +f 83 0B 0 23,-2.4 25,-3.2 -2,-0.6 2,-0.2 -0.849 23.6 161.5-107.7 102.6 18.4 13.3 4.4 60 67 A T >> - 0 0 34 -2,-0.8 4,-2.3 23,-0.2 3,-0.6 -0.600 56.7 -94.0-113.2 169.6 16.0 12.9 7.3 61 68 A E H 3> S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 124.6 58.8 -46.8 -45.2 16.2 13.7 11.0 62 69 A E H 3> S+ 0 0 99 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.881 107.6 45.9 -55.1 -41.5 17.3 10.1 11.6 63 70 A I H X> S+ 0 0 5 -3,-0.6 3,-1.5 2,-0.2 4,-0.7 0.945 111.3 50.5 -68.2 -49.0 20.3 10.6 9.4 64 71 A F H >< S+ 0 0 2 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.881 103.0 61.8 -56.3 -37.5 21.2 14.0 11.0 65 72 A A H 3< S+ 0 0 56 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 108.1 43.8 -57.2 -26.9 20.9 12.2 14.5 66 73 A A H << S+ 0 0 22 -3,-1.5 2,-1.5 -4,-0.5 -1,-0.3 0.536 93.2 90.1 -91.6 -13.2 23.8 10.0 13.3 67 74 A A X< + 0 0 10 -3,-1.2 3,-0.7 -4,-0.7 -21,-0.1 -0.556 49.8 171.6 -94.9 78.6 25.8 12.9 11.8 68 75 A N T 3 S+ 0 0 115 -2,-1.5 -1,-0.2 -22,-0.5 -21,-0.1 0.720 78.1 27.1 -54.5 -30.2 27.9 14.0 14.8 69 76 A R T 3 S+ 0 0 128 -24,-0.4 -1,-0.2 -23,-0.4 -22,-0.1 0.432 82.4 133.7-119.0 -3.2 30.0 16.4 12.9 70 77 A L < + 0 0 0 -3,-0.7 -21,-0.2 -25,-0.2 -20,-0.2 -0.299 17.0 165.5 -63.8 126.2 27.9 17.6 10.0 71 78 A I + 0 0 14 -22,-3.4 2,-0.3 1,-0.3 -21,-0.2 0.632 61.8 13.3-108.2 -23.7 27.9 21.4 9.5 72 79 A A E -c 50 0A 0 -23,-1.3 -21,-1.9 21,-0.2 2,-0.4 -0.998 54.1-145.8-158.2 148.9 26.4 21.8 6.0 73 80 A V E -cd 51 95A 0 21,-2.2 23,-2.8 -2,-0.3 2,-0.6 -0.961 10.3-157.2-117.6 132.8 24.5 20.1 3.2 74 81 A G E -cd 52 96A 0 -23,-3.1 -21,-2.5 -2,-0.4 2,-0.9 -0.962 3.3-158.7-106.9 119.7 25.0 20.7 -0.5 75 82 A C E -c 53 0A 0 21,-3.5 2,-2.3 -2,-0.6 23,-0.2 -0.893 9.3-155.1 -91.5 105.0 22.0 19.8 -2.8 76 83 A F + 0 0 3 -23,-3.0 2,-0.3 -2,-0.9 -21,-0.2 -0.443 69.8 60.3 -82.4 68.4 23.8 19.5 -6.1 77 84 A S S S- 0 0 22 -2,-2.3 21,-1.7 1,-0.1 -2,-0.1 -0.945 92.5-102.6-175.1 168.2 20.5 20.3 -7.9 78 85 A V S S+ 0 0 60 -2,-0.3 -1,-0.1 19,-0.2 -3,-0.1 0.967 100.9 59.4 -71.5 -56.7 17.9 23.0 -8.2 79 86 A G - 0 0 42 1,-0.1 19,-0.1 -3,-0.1 -2,-0.1 -0.168 58.9-164.5 -70.1 164.2 15.2 21.3 -6.0 80 87 A T > + 0 0 17 17,-0.1 3,-1.5 3,-0.1 5,-0.2 0.035 49.1 121.4-137.6 25.2 15.7 20.3 -2.3 81 88 A N T 3 + 0 0 161 1,-0.3 -26,-0.0 3,-0.1 -1,-0.0 0.608 67.8 65.5 -72.1 -11.1 12.8 17.9 -1.8 82 89 A Q T 3 S+ 0 0 30 -28,-0.1 -23,-2.4 -24,-0.1 2,-0.4 0.547 93.4 70.7 -85.3 -8.2 15.1 15.1 -0.8 83 90 A V B < S-f 59 0B 10 -3,-1.5 2,-1.3 -25,-0.2 -23,-0.2 -0.903 82.6-127.1-112.4 135.8 16.3 16.9 2.4 84 91 A E > - 0 0 94 -25,-3.2 4,-2.1 -2,-0.4 5,-0.2 -0.697 33.1-172.1 -77.1 96.5 14.2 17.5 5.6 85 92 A L H > S+ 0 0 47 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.861 77.2 47.1 -67.7 -39.7 15.0 21.2 5.5 86 93 A K H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.875 110.2 53.2 -69.6 -41.2 13.4 22.1 8.9 87 94 A A H > S+ 0 0 16 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.909 111.5 47.3 -59.5 -43.3 15.2 19.2 10.7 88 95 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-1.0 0.949 111.4 50.5 -62.7 -49.0 18.5 20.4 9.3 89 96 A R H ><5S+ 0 0 37 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.913 105.4 55.5 -54.2 -49.9 17.8 24.0 10.3 90 97 A K H 3<5S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.702 108.7 49.7 -59.7 -21.1 16.9 23.0 13.9 91 98 A R T <<5S- 0 0 82 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.244 122.7-108.7 -96.8 8.3 20.3 21.3 14.2 92 99 A G T < 5S+ 0 0 0 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.851 73.9 139.3 66.2 35.7 22.0 24.4 12.8 93 100 A I < - 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