==== 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 27-MAR-07 2PA3 . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.DEY,J.C.SACCHETTINI . 407 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.9 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 . 1 0.2 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 . 37 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 1 2 2 0 3 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 5 A S > 0 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -72.4 31.6 -38.5 -16.3 2 6 A L T 4 + 0 0 148 2,-0.2 4,-0.1 1,-0.2 0, 0.0 0.800 360.0 39.6 -70.7 -31.0 32.1 -36.5 -13.1 3 7 A E T >4 S+ 0 0 157 2,-0.1 3,-1.0 1,-0.1 -1,-0.2 0.844 115.4 54.0 -79.8 -37.0 34.5 -39.1 -11.6 4 8 A K G >4 S+ 0 0 65 1,-0.3 3,-2.7 2,-0.2 26,-0.3 0.826 91.3 69.3 -73.5 -39.8 36.2 -39.7 -15.0 5 9 A D G 3< S+ 0 0 64 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.731 96.7 59.8 -42.0 -24.3 37.1 -36.1 -15.8 6 10 A K G < S+ 0 0 129 -3,-1.0 2,-0.7 -5,-0.1 -1,-0.3 0.376 80.3 94.9 -98.3 6.5 39.6 -36.5 -12.9 7 11 A I < - 0 0 35 -3,-2.7 23,-0.3 43,-0.1 2,-0.3 -0.860 67.5-147.5-104.2 109.2 41.6 -39.4 -14.4 8 12 A K - 0 0 17 -2,-0.7 44,-2.1 41,-0.3 43,-1.1 -0.538 10.0-163.1 -87.2 133.1 44.6 -38.0 -16.2 9 13 A F E -ab 31 52A 1 21,-2.7 23,-2.7 -2,-0.3 2,-0.7 -0.958 4.5-159.5-116.0 120.0 46.1 -39.7 -19.3 10 14 A L E -ab 32 53A 0 42,-3.1 44,-2.7 -2,-0.5 2,-0.5 -0.892 11.1-175.6-102.9 112.1 49.6 -38.7 -20.3 11 15 A L E +ab 33 54A 1 21,-2.4 23,-1.9 -2,-0.7 2,-0.3 -0.928 8.1 174.7-110.5 120.4 50.4 -39.4 -23.9 12 16 A V + 0 0 0 42,-2.9 25,-0.2 -2,-0.5 3,-0.1 -0.801 52.3 35.4-122.0 169.9 53.9 -38.8 -25.2 13 17 A E S S- 0 0 5 23,-1.6 22,-0.2 -2,-0.3 23,-0.2 0.687 117.9 -77.2 63.9 20.3 55.9 -39.3 -28.4 14 18 A G - 0 0 16 20,-2.8 -1,-0.2 22,-0.3 21,-0.1 0.972 57.8-163.3 62.8 67.6 52.9 -38.6 -30.5 15 19 A V - 0 0 4 19,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.412 41.9 -74.2 -71.7 163.9 50.6 -41.7 -30.4 16 20 A H >> - 0 0 44 281,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.247 35.4-121.7 -65.8 145.5 48.0 -41.8 -33.1 17 21 A Q H >> S+ 0 0 94 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.751 108.6 72.6 -55.2 -26.9 44.9 -39.6 -32.8 18 22 A K H 3> S+ 0 0 61 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.884 90.4 60.6 -60.1 -30.9 42.7 -42.6 -32.9 19 23 A A H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.875 104.9 46.8 -59.8 -37.4 44.0 -43.3 -29.4 20 24 A L H S+ 0 0 2 -4,-1.9 5,-2.1 -5,-0.2 -1,-0.2 0.915 112.8 42.8 -58.6 -44.1 39.7 -42.3 -24.9 24 28 A R H ><5S+ 0 0 118 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.925 109.8 55.4 -73.1 -39.8 37.1 -39.6 -25.5 25 29 A A H 3<5S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.849 105.9 54.3 -60.8 -30.8 34.4 -42.0 -26.6 26 30 A A T 3<5S- 0 0 24 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.397 126.3-102.5 -81.9 2.8 34.9 -43.9 -23.4 27 31 A G T < 5S+ 0 0 28 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.426 84.2 125.1 92.1 -1.4 34.3 -40.7 -21.4 28 32 A Y < + 0 0 4 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.826 16.5 150.0 -93.3 112.4 38.0 -39.9 -20.6 29 33 A T + 0 0 73 -2,-0.7 2,-2.1 -3,-0.1 -1,-0.1 0.474 38.2 103.4-119.9 -7.9 38.9 -36.4 -21.7 30 34 A N + 0 0 63 -23,-0.3 -21,-2.7 -26,-0.3 2,-0.5 -0.522 53.1 153.0 -80.8 79.9 41.5 -35.4 -19.2 31 35 A I E -a 9 0A 30 -2,-2.1 2,-0.7 -23,-0.2 -21,-0.2 -0.943 38.1-161.7-117.4 126.3 44.4 -35.9 -21.7 32 36 A E E -a 10 0A 52 -23,-2.7 -21,-2.4 -2,-0.5 2,-0.4 -0.911 25.8-166.6-100.2 104.0 47.8 -34.2 -21.7 33 37 A F E +a 11 0A 65 -2,-0.7 2,-0.4 -23,-0.2 -21,-0.2 -0.775 13.6 179.4 -99.4 138.0 49.1 -34.9 -25.3 34 38 A H - 0 0 59 -23,-1.9 -20,-2.8 -2,-0.4 -19,-0.2 -0.982 22.3-162.1-132.8 125.2 52.7 -34.4 -26.6 35 39 A K S S+ 0 0 180 -2,-0.4 2,-0.2 -22,-0.2 -1,-0.1 0.823 79.6 62.2 -69.0 -23.5 54.0 -35.1 -30.1 36 40 A G S S- 0 0 39 -23,-0.2 -23,-1.6 1,-0.1 2,-0.6 -0.509 94.6 -93.2-107.7 164.9 57.5 -35.1 -28.7 37 41 A A - 0 0 39 -25,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.641 40.3-134.4 -72.8 116.6 59.6 -37.0 -26.2 38 42 A L - 0 0 25 -2,-0.6 2,-0.1 -4,-0.1 -1,-0.0 -0.423 22.5-125.4 -64.2 140.9 59.5 -35.4 -22.8 39 43 A D >> - 0 0 74 -2,-0.1 4,-3.6 1,-0.1 3,-0.6 -0.466 32.7 -88.7 -88.0 166.9 62.8 -35.1 -21.2 40 44 A D H 3> S+ 0 0 88 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.850 125.5 39.9 -44.6 -48.6 63.7 -36.5 -17.8 41 45 A E H 3> S+ 0 0 154 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.835 118.3 45.7 -75.8 -28.4 62.7 -33.4 -15.8 42 46 A Q H <> S+ 0 0 85 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.834 112.2 53.2 -86.2 -27.2 59.6 -32.5 -17.8 43 47 A L H X S+ 0 0 5 -4,-3.6 4,-2.7 2,-0.2 5,-0.3 0.961 107.1 51.3 -59.3 -55.0 58.5 -36.2 -17.7 44 48 A K H < S+ 0 0 71 -4,-2.3 4,-0.5 -5,-0.3 -2,-0.2 0.809 112.5 48.1 -57.7 -26.6 58.8 -36.2 -13.9 45 49 A E H < S+ 0 0 140 -4,-1.0 4,-0.4 -5,-0.2 -1,-0.3 0.886 115.5 41.4 -81.2 -35.2 56.7 -33.2 -13.8 46 50 A S H < S+ 0 0 14 -4,-1.7 3,-0.3 -3,-0.3 -2,-0.2 0.801 114.3 48.8 -84.2 -29.9 54.0 -34.4 -16.1 47 51 A I S >< S+ 0 0 1 -4,-2.7 3,-2.2 1,-0.2 24,-0.4 0.660 87.0 91.6 -81.1 -14.6 53.7 -37.9 -14.9 48 52 A R T 3 S+ 0 0 120 -4,-0.5 22,-1.0 -5,-0.3 23,-0.5 0.875 101.7 23.0 -56.0 -44.7 53.5 -36.8 -11.3 49 53 A D T 3 S+ 0 0 58 -4,-0.4 2,-0.5 -3,-0.3 -41,-0.3 0.048 98.4 125.7-109.9 29.8 49.7 -36.6 -11.2 50 54 A A < - 0 0 0 -3,-2.2 21,-0.3 1,-0.1 -41,-0.1 -0.744 42.5-168.1 -95.1 127.6 49.1 -39.0 -14.1 51 55 A H S S+ 0 0 34 -43,-1.1 22,-3.3 -2,-0.5 23,-1.2 0.892 80.4 14.1 -76.7 -38.4 46.8 -42.1 -13.8 52 56 A F E -bc 9 74A 3 -44,-2.1 -42,-3.1 20,-0.2 2,-0.4 -0.990 63.9-161.0-134.7 148.5 48.0 -43.6 -17.0 53 57 A I E -bc 10 75A 0 21,-1.3 23,-3.0 -2,-0.3 2,-0.4 -0.993 0.4-165.7-128.9 131.5 50.8 -43.0 -19.4 54 58 A G E +bc 11 76A 0 -44,-2.7 -42,-2.9 -2,-0.4 2,-0.2 -0.959 25.6 154.5-109.3 137.2 51.1 -44.0 -23.0 55 59 A L E - c 0 77A 0 21,-2.2 23,-1.5 -2,-0.4 2,-0.1 -0.753 27.9-141.7-147.2-179.1 54.5 -43.8 -24.6 56 60 A R - 0 0 74 -2,-0.2 28,-0.1 21,-0.2 23,-0.1 -0.167 53.6 -53.5-133.6-132.2 56.7 -45.3 -27.4 57 61 A S S S+ 0 0 83 1,-0.2 22,-0.0 21,-0.1 -44,-0.0 0.749 120.4 57.5 -94.0 -17.3 60.3 -46.3 -27.8 58 62 A R S S+ 0 0 144 -45,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.835 83.2 90.7 -84.7 -30.0 62.1 -43.2 -26.8 59 63 A T - 0 0 6 1,-0.1 2,-1.0 -47,-0.0 -20,-0.1 -0.460 64.7-147.4 -71.4 131.3 60.7 -42.7 -23.2 60 64 A H - 0 0 133 -2,-0.2 2,-1.2 25,-0.1 25,-0.2 -0.760 11.0-170.2 -99.7 87.2 62.7 -44.4 -20.4 61 65 A L B +e 85 0B 1 23,-1.5 25,-1.7 -2,-1.0 2,-0.2 -0.670 27.3 176.2 -74.2 99.5 60.1 -45.3 -17.8 62 66 A T > - 0 0 56 -2,-1.2 4,-3.7 23,-0.2 5,-0.4 -0.521 47.3 -94.5-108.4 172.1 62.7 -46.2 -15.2 63 67 A E H > S+ 0 0 96 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.943 126.0 44.4 -47.9 -50.3 62.5 -47.3 -11.6 64 68 A D H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.863 114.4 48.5 -64.3 -38.6 62.9 -43.7 -10.4 65 69 A V H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.946 115.9 43.4 -67.3 -47.6 60.5 -42.3 -12.8 66 70 A I H < S+ 0 0 0 -4,-3.7 3,-0.5 1,-0.2 -2,-0.2 0.924 112.4 53.6 -62.3 -44.8 58.0 -45.0 -11.9 67 71 A N H < S+ 0 0 79 -4,-3.6 -1,-0.2 -5,-0.4 -2,-0.2 0.790 110.1 47.8 -64.4 -23.1 58.7 -44.5 -8.3 68 72 A A H < S+ 0 0 45 -4,-1.6 2,-0.6 -3,-0.3 -1,-0.2 0.728 85.5 96.9 -85.6 -26.0 58.1 -40.8 -8.5 69 73 A A < - 0 0 0 -4,-1.5 3,-0.3 -3,-0.5 -21,-0.2 -0.511 58.1-172.6 -64.1 111.5 54.8 -41.2 -10.4 70 74 A E S S+ 0 0 122 -22,-1.0 -1,-0.2 -2,-0.6 -21,-0.1 0.722 73.3 31.3 -92.9 -11.7 52.5 -40.9 -7.5 71 75 A K S S+ 0 0 95 -23,-0.5 2,-0.5 -24,-0.4 -1,-0.2 0.232 79.4 144.5-122.3 19.0 49.1 -41.8 -9.0 72 76 A L + 0 0 0 -3,-0.3 -21,-0.2 -6,-0.2 -20,-0.2 -0.431 15.6 168.1 -80.7 116.4 50.1 -44.2 -11.7 73 77 A V - 0 0 14 -22,-3.3 2,-0.3 -2,-0.5 -21,-0.2 0.845 64.2 -10.7 -90.0 -40.8 47.6 -47.0 -12.3 74 78 A A E -c 52 0A 0 -23,-1.2 -21,-1.3 21,-0.2 2,-0.4 -0.983 56.5-131.8-158.6 162.1 48.8 -48.6 -15.6 75 79 A I E -cd 53 97A 0 21,-2.3 23,-2.9 -2,-0.3 2,-0.6 -0.961 10.3-155.1-125.3 138.4 51.2 -48.0 -18.6 76 80 A G E -cd 54 98A 0 -23,-3.0 -21,-2.2 -2,-0.4 2,-1.4 -0.930 1.9-161.0-117.2 109.7 50.6 -48.3 -22.3 77 81 A A E -c 55 0A 1 21,-3.1 2,-4.1 -2,-0.6 23,-0.4 -0.707 9.2-158.0 -82.9 87.9 53.4 -49.1 -24.6 78 82 A F S S+ 0 0 3 -23,-1.5 2,-0.3 -2,-1.4 -21,-0.1 -0.226 70.1 57.7 -64.5 62.5 52.0 -47.9 -27.9 79 83 A A S S- 0 0 22 -2,-4.1 21,-1.9 2,-0.2 -2,-0.1 -0.940 93.4-102.6-166.5 179.2 54.4 -50.2 -29.7 80 84 A I S S+ 0 0 67 -2,-0.3 -1,-0.1 19,-0.2 -3,-0.1 0.943 97.7 69.6 -78.8 -52.5 55.5 -53.8 -29.9 81 85 A G - 0 0 41 1,-0.1 -2,-0.2 -3,-0.1 19,-0.1 -0.033 51.4-177.9 -67.3 170.7 58.6 -53.4 -27.8 82 86 A T > + 0 0 20 17,-0.1 3,-1.8 3,-0.1 5,-0.1 0.295 46.6 111.4-154.4 2.6 58.7 -52.7 -24.1 83 87 A N T 3 S+ 0 0 153 1,-0.3 -26,-0.1 3,-0.1 -2,-0.0 0.553 70.2 66.9 -72.4 -9.8 62.4 -52.4 -23.1 84 88 A Q T 3 S+ 0 0 26 -28,-0.1 -23,-1.5 -24,-0.1 2,-0.4 0.462 96.2 71.4 -82.6 -5.2 62.3 -48.7 -22.3 85 89 A V B < S-e 61 0B 7 -3,-1.8 2,-1.2 -25,-0.2 -23,-0.2 -0.933 84.0-131.4-117.8 135.4 60.0 -49.7 -19.5 86 90 A D > - 0 0 45 -25,-1.7 4,-1.9 -2,-0.4 5,-0.2 -0.732 22.6-170.0 -90.9 100.3 61.1 -51.4 -16.4 87 91 A L H > S+ 0 0 45 -2,-1.2 4,-2.9 1,-0.2 3,-0.2 0.937 80.4 49.2 -60.7 -51.3 58.6 -54.2 -16.1 88 92 A D H > S+ 0 0 105 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.857 109.6 52.1 -53.8 -41.8 59.6 -55.4 -12.6 89 93 A A H > S+ 0 0 4 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.878 112.5 45.6 -68.5 -34.5 59.5 -51.9 -11.1 90 94 A A H <>S+ 0 0 0 -4,-1.9 5,-2.8 -3,-0.2 3,-0.3 0.907 112.7 51.8 -69.3 -41.7 56.0 -51.4 -12.5 91 95 A A H ><5S+ 0 0 14 -4,-2.9 3,-4.4 3,-0.2 -2,-0.2 0.982 103.6 56.6 -55.5 -61.3 55.0 -54.8 -11.3 92 96 A K H 3<5S+ 0 0 119 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.9 46.1 -45.3 -29.9 56.2 -54.1 -7.7 93 97 A R T 3<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.329 121.9-107.1 -98.5 9.1 54.0 -51.1 -7.5 94 98 A G T < 5S+ 0 0 0 -3,-4.4 -3,-0.2 1,-0.2 -2,-0.2 0.917 71.1 144.4 68.1 44.4 51.0 -53.0 -9.0 95 99 A I < - 0 0 0 -5,-2.8 -21,-0.2 -4,-0.2 -1,-0.2 -0.920 39.3-148.7-115.2 106.2 51.2 -51.3 -12.3 96 100 A P - 0 0 0 0, 0.0 -21,-2.3 0, 0.0 2,-0.5 -0.551 8.0-143.9 -77.0 150.2 50.3 -53.5 -15.2 97 101 A V E -d 75 0A 0 -23,-0.2 224,-2.8 -2,-0.2 225,-0.4 -0.958 17.3-172.0-114.0 120.5 52.1 -52.8 -18.5 98 102 A F E +d 76 0A 3 -23,-2.9 -21,-3.1 -2,-0.5 2,-0.2 -0.672 9.8 162.3-103.5 161.0 50.2 -53.2 -21.8 99 103 A N - 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