==== 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 24-MAR-07 2P9C . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.DEY,J.C.SACCHETTINI . 812 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.9 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 . 2 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 . 72 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 0 5 3 2 5 1 1 4 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 6 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 4 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 2 2 0 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 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 6 A L 0 0 175 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-105.5 -23.2 -36.4 -9.5 2 7 A E >> + 0 0 154 1,-0.2 3,-1.9 2,-0.1 4,-0.5 0.820 360.0 77.4 -73.9 -39.2 -25.4 -36.9 -6.4 3 8 A K G >4 S+ 0 0 52 1,-0.3 3,-0.6 2,-0.2 26,-0.5 0.696 87.4 58.8 -49.0 -26.0 -24.8 -33.3 -5.4 4 9 A D G 34 S+ 0 0 95 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.836 100.1 55.4 -72.2 -35.9 -27.4 -32.1 -8.0 5 10 A K G <4 S+ 0 0 163 -3,-1.9 2,-0.8 -4,-0.3 -1,-0.2 0.541 86.4 98.3 -73.1 -7.2 -30.2 -34.2 -6.5 6 11 A I << - 0 0 35 -3,-0.6 2,-0.4 -4,-0.5 23,-0.4 -0.734 66.8-151.1 -92.1 107.2 -29.6 -32.5 -3.2 7 12 A K - 0 0 24 -2,-0.8 43,-2.1 41,-0.4 44,-1.9 -0.641 8.1-162.4 -91.3 128.6 -32.1 -29.7 -2.8 8 13 A F E -ab 30 51A 0 21,-2.9 23,-3.0 -2,-0.4 2,-0.6 -0.908 2.8-158.7-106.8 126.4 -31.4 -26.6 -0.7 9 14 A L E -ab 31 52A 0 42,-2.7 44,-3.5 -2,-0.5 2,-0.6 -0.899 10.3-176.3-103.8 116.2 -34.2 -24.3 0.5 10 15 A L E +ab 32 53A 1 21,-2.9 23,-3.0 -2,-0.6 3,-0.2 -0.928 7.8 176.4-116.2 117.5 -33.3 -20.7 1.4 11 16 A V + 0 0 0 42,-2.9 3,-0.3 -2,-0.6 25,-0.2 -0.656 51.4 30.6-111.4 166.5 -35.9 -18.4 2.8 12 17 A E S S- 0 0 2 23,-2.7 22,-0.2 -2,-0.2 23,-0.2 0.672 114.8 -73.4 66.5 23.2 -36.0 -14.9 4.1 13 18 A G - 0 0 21 20,-2.6 -1,-0.2 22,-0.3 21,-0.2 0.955 63.4-172.7 61.6 59.4 -33.2 -13.4 2.0 14 19 A V - 0 0 9 -3,-0.3 2,-0.3 19,-0.3 283,-0.1 -0.047 42.4 -65.9 -69.1-178.7 -30.0 -14.8 3.5 15 20 A H >> - 0 0 39 281,-0.4 3,-2.8 1,-0.1 4,-0.9 -0.562 34.6-126.5 -82.3 140.4 -26.7 -13.5 2.2 16 21 A Q H 3> S+ 0 0 91 1,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.800 109.2 71.7 -43.9 -33.6 -25.6 -14.2 -1.4 17 22 A K H 3> S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.820 89.7 57.3 -58.7 -32.5 -22.5 -15.5 0.2 18 23 A A H <> S+ 0 0 0 -3,-2.8 4,-1.7 2,-0.2 5,-0.2 0.971 109.8 44.8 -61.0 -48.6 -24.5 -18.5 1.4 19 24 A L H X S+ 0 0 6 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.939 112.0 53.2 -58.5 -46.6 -25.4 -19.3 -2.3 20 25 A E H X S+ 0 0 99 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.862 113.2 40.0 -55.4 -45.2 -21.9 -18.7 -3.5 21 26 A S H X S+ 0 0 33 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.702 111.9 55.6 -88.8 -17.2 -20.1 -21.1 -1.1 22 27 A L H <>S+ 0 0 3 -4,-1.7 5,-1.6 -5,-0.2 4,-0.3 0.894 112.0 46.8 -68.8 -43.8 -22.8 -23.7 -1.4 23 28 A R H ><5S+ 0 0 112 -4,-2.5 3,-2.2 -5,-0.2 -2,-0.2 0.923 107.1 54.2 -63.1 -47.7 -22.1 -23.5 -5.1 24 29 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.823 103.7 58.3 -56.6 -31.9 -18.3 -23.7 -4.7 25 30 A A T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.579 129.0 -98.8 -73.1 -12.2 -18.8 -26.9 -2.7 26 31 A G T < 5S+ 0 0 32 -3,-2.2 2,-0.6 -4,-0.3 -3,-0.2 0.732 82.9 130.1 97.6 29.7 -20.7 -28.4 -5.8 27 32 A Y < + 0 0 7 -5,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 -0.919 13.1 151.6-120.1 105.3 -24.2 -27.8 -4.6 28 33 A T + 0 0 83 -2,-0.6 2,-1.1 -25,-0.3 -1,-0.1 0.502 38.3 104.7-117.1 -3.0 -26.4 -26.1 -7.3 29 34 A N + 0 0 56 -26,-0.5 -21,-2.9 -23,-0.4 2,-0.4 -0.674 53.8 154.6 -81.8 99.8 -29.9 -27.4 -6.4 30 35 A I E -a 8 0A 35 -2,-1.1 2,-0.6 -23,-0.2 -21,-0.2 -0.976 38.3-169.4-143.0 121.8 -31.3 -24.2 -4.8 31 36 A E E -a 9 0A 42 -23,-3.0 -21,-2.9 -2,-0.4 2,-0.5 -0.949 25.7-170.2-108.9 112.6 -34.6 -22.6 -4.3 32 37 A F E -a 10 0A 64 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.915 13.7-179.7-113.2 130.6 -34.0 -19.1 -3.1 33 38 A H - 0 0 59 -23,-3.0 -20,-2.6 -2,-0.5 -19,-0.3 -0.992 20.0-158.9-124.3 128.9 -36.5 -16.6 -1.7 34 39 A K S S+ 0 0 174 -2,-0.4 2,-0.2 -22,-0.2 -1,-0.1 0.663 80.2 51.3 -73.2 -13.7 -35.6 -13.2 -0.5 35 40 A G S S- 0 0 31 -23,-0.2 -23,-2.7 1,-0.1 -22,-0.3 -0.503 95.0 -81.5-118.6-179.0 -38.8 -13.2 1.5 36 41 A A - 0 0 55 -25,-0.2 2,-0.3 -24,-0.2 -1,-0.1 -0.583 43.0-132.0 -82.6 146.3 -40.8 -15.1 4.1 37 42 A L - 0 0 37 -2,-0.2 2,-0.2 -4,-0.1 -1,-0.0 -0.707 13.6-123.1-100.6 152.1 -43.0 -18.0 2.9 38 43 A D >> - 0 0 96 -2,-0.3 4,-2.7 1,-0.1 3,-1.1 -0.592 34.2-100.0 -91.6 154.2 -46.6 -18.7 3.9 39 44 A D H 3> S+ 0 0 128 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.855 123.2 49.5 -35.8 -54.4 -47.8 -22.0 5.4 40 45 A E H 3> S+ 0 0 153 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.823 116.8 38.5 -59.7 -40.2 -49.1 -23.2 2.1 41 46 A Q H <> S+ 0 0 81 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.842 113.8 54.1 -81.9 -36.5 -45.9 -22.4 0.1 42 47 A L H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.943 108.7 49.4 -58.5 -52.1 -43.4 -23.5 2.8 43 48 A K H < S+ 0 0 86 -4,-2.4 4,-0.3 -5,-0.4 -1,-0.2 0.726 115.1 43.4 -67.3 -21.6 -44.9 -26.9 3.2 44 49 A E H < S+ 0 0 125 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.759 116.1 45.2 -94.5 -23.6 -44.9 -27.6 -0.6 45 50 A S H < S+ 0 0 10 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.654 114.2 48.6 -91.8 -15.9 -41.4 -26.3 -1.3 46 51 A I S >< S+ 0 0 0 -4,-1.8 3,-1.5 -5,-0.2 24,-0.3 0.564 84.2 95.1 -92.1 -12.4 -39.8 -28.0 1.7 47 52 A R T 3 S+ 0 0 103 1,-0.3 23,-0.8 -4,-0.3 22,-0.7 0.746 102.5 20.7 -50.7 -30.7 -41.4 -31.4 0.9 48 53 A D T 3 S+ 0 0 44 -3,-0.2 -41,-0.4 -4,-0.2 2,-0.3 0.204 94.2 127.6-127.7 13.1 -38.4 -32.5 -1.0 49 54 A A < - 0 0 0 -3,-1.5 -41,-0.2 1,-0.2 3,-0.1 -0.579 40.9-165.8 -77.7 128.7 -35.8 -30.2 0.5 50 55 A H S S+ 0 0 38 -43,-2.1 22,-3.3 -2,-0.3 23,-1.2 0.855 79.0 15.7 -80.1 -36.4 -32.7 -31.9 1.9 51 56 A F E -bc 8 73A 3 -44,-1.9 -42,-2.7 20,-0.2 2,-0.4 -0.962 66.2-159.7-135.7 153.5 -31.6 -28.7 3.7 52 57 A I E -bc 9 74A 0 21,-1.2 23,-2.6 -2,-0.3 2,-0.5 -0.996 2.2-163.4-136.6 132.2 -33.3 -25.5 4.7 53 58 A G E +bc 10 75A 0 -44,-3.5 -42,-2.9 -2,-0.4 2,-0.2 -0.958 23.3 162.3-110.7 127.8 -31.9 -22.1 5.7 54 59 A L E - c 0 76A 0 21,-1.9 23,-2.3 -2,-0.5 -42,-0.1 -0.778 25.0-148.9-138.1 177.2 -34.1 -19.6 7.5 55 60 A R - 0 0 63 -2,-0.2 28,-0.2 21,-0.2 -1,-0.1 0.604 56.4 -54.6-119.6 -92.6 -33.9 -16.5 9.6 56 61 A S S S+ 0 0 74 -44,-0.1 22,-0.0 27,-0.1 -44,-0.0 0.570 121.4 50.3-134.3 -15.3 -36.2 -15.3 12.3 57 62 A R S S+ 0 0 163 2,-0.0 2,-0.3 -45,-0.0 -21,-0.0 0.774 82.9 91.3-102.3 -30.0 -39.7 -15.2 11.0 58 63 A T S S- 0 0 7 1,-0.1 2,-0.9 2,-0.0 -20,-0.1 -0.519 70.2-145.3 -62.8 126.3 -40.0 -18.7 9.4 59 64 A H - 0 0 126 -2,-0.3 2,-1.7 25,-0.1 5,-0.2 -0.782 8.1-161.0-105.7 98.1 -41.5 -21.0 12.1 60 65 A L B +e 84 0B 1 23,-1.0 25,-2.8 -2,-0.9 2,-0.2 -0.541 27.0 173.5 -78.7 88.1 -40.1 -24.5 11.8 61 66 A T > - 0 0 49 -2,-1.7 4,-3.2 23,-0.2 3,-0.3 -0.491 48.9-103.8-100.6 162.2 -42.7 -26.3 13.8 62 67 A E H > S+ 0 0 103 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.841 122.2 59.5 -58.8 -30.0 -43.2 -30.0 14.4 63 68 A D H > S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.974 112.6 36.6 -57.2 -54.8 -46.0 -29.8 11.9 64 69 A V H > S+ 0 0 6 -3,-0.3 4,-2.5 -5,-0.2 3,-0.5 0.921 116.0 54.7 -64.5 -45.8 -43.7 -28.6 9.2 65 70 A I H < S+ 0 0 0 -4,-3.2 6,-0.2 1,-0.2 -1,-0.2 0.922 109.2 45.7 -54.5 -50.4 -40.8 -30.7 10.3 66 71 A N H < S+ 0 0 82 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.675 112.7 51.4 -75.2 -16.0 -42.7 -34.0 10.2 67 72 A A H < S+ 0 0 46 -4,-1.0 2,-0.8 -3,-0.5 -1,-0.2 0.891 84.5 90.8 -82.8 -45.2 -44.2 -33.2 6.8 68 73 A A >< - 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -21,-0.2 -0.345 64.3-168.6 -49.8 96.2 -40.8 -32.4 5.1 69 74 A E T 3 S+ 0 0 126 -2,-0.8 -1,-0.2 -22,-0.7 -21,-0.2 0.898 73.8 36.6 -62.4 -45.2 -40.1 -35.9 3.9 70 75 A K T 3 S+ 0 0 84 -23,-0.8 2,-0.2 -24,-0.3 -1,-0.2 0.191 79.5 142.0-101.8 19.5 -36.4 -35.6 2.8 71 76 A L < + 0 0 0 -3,-0.8 -21,-0.2 -6,-0.2 -20,-0.2 -0.412 15.7 165.2 -78.7 130.8 -34.9 -33.3 5.4 72 77 A V - 0 0 17 -22,-3.3 2,-0.3 1,-0.4 -21,-0.2 0.771 63.1 -1.7-107.0 -39.2 -31.4 -33.9 6.8 73 78 A A E -c 51 0A 0 -23,-1.2 -21,-1.2 21,-0.2 2,-0.4 -0.997 54.6-138.4-158.7 151.5 -30.4 -30.7 8.5 74 79 A I E -cd 52 96A 0 21,-2.8 23,-3.2 -2,-0.3 2,-0.5 -0.919 10.4-158.2-116.1 140.4 -31.5 -27.2 9.4 75 80 A G E -cd 53 97A 0 -23,-2.6 -21,-1.9 -2,-0.4 2,-1.0 -0.948 5.5-157.1-120.6 113.1 -29.5 -24.0 9.4 76 81 A A E -c 54 0A 0 21,-4.3 2,-2.6 -2,-0.5 23,-0.3 -0.800 9.6-156.8 -85.1 102.8 -30.5 -21.0 11.4 77 82 A F S S+ 0 0 4 -23,-2.3 2,-0.3 -2,-1.0 21,-0.1 -0.285 72.3 55.2 -75.8 53.9 -28.8 -18.2 9.5 78 83 A A S S- 0 0 21 -2,-2.6 21,-1.6 2,-0.2 -2,-0.1 -0.916 97.0 -97.9-166.6 176.0 -29.0 -16.1 12.7 79 84 A I S S+ 0 0 58 -2,-0.3 2,-0.1 19,-0.2 -1,-0.1 0.859 99.3 66.4 -75.2 -41.7 -27.9 -16.3 16.3 80 85 A G - 0 0 36 1,-0.1 -2,-0.2 19,-0.1 19,-0.1 -0.334 49.0-177.3 -84.9 165.3 -31.3 -17.4 17.7 81 86 A T > + 0 0 20 -2,-0.1 3,-1.6 3,-0.1 5,-0.2 0.133 50.4 113.2-145.0 16.2 -33.2 -20.6 17.1 82 87 A N T 3 S+ 0 0 158 1,-0.3 4,-0.1 3,-0.1 -26,-0.1 0.842 73.8 63.1 -66.4 -30.0 -36.5 -20.0 19.0 83 88 A Q T 3 S+ 0 0 18 -28,-0.2 -23,-1.0 2,-0.1 2,-0.4 0.647 96.8 72.0 -62.0 -19.0 -38.3 -20.0 15.7 84 89 A V B < S-e 60 0B 7 -3,-1.6 2,-1.4 -25,-0.2 -23,-0.2 -0.841 84.2-128.6-106.1 138.2 -37.3 -23.7 15.2 85 90 A D > - 0 0 55 -25,-2.8 4,-2.0 -2,-0.4 5,-0.2 -0.695 29.3-177.1 -83.8 92.6 -38.7 -26.6 17.2 86 91 A L H > S+ 0 0 43 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.912 76.1 54.6 -61.4 -43.0 -35.4 -28.0 18.2 87 92 A D H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 108.4 47.8 -64.4 -36.7 -36.9 -31.0 20.0 88 93 A A H > S+ 0 0 10 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.930 110.5 51.9 -68.3 -44.2 -38.9 -32.1 17.0 89 94 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 3,-0.6 0.861 110.2 49.5 -57.3 -40.8 -35.8 -31.8 14.7 90 95 A A H ><5S+ 0 0 15 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.899 103.0 61.1 -65.1 -42.1 -33.8 -34.0 17.1 91 96 A K H 3<5S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.690 108.4 43.9 -61.0 -19.6 -36.5 -36.6 17.2 92 97 A R T <<5S- 0 0 55 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.253 121.1-102.8-111.8 12.8 -36.1 -37.1 13.5 93 98 A G T < 5S+ 0 0 0 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.878 76.6 140.2 69.3 37.9 -32.3 -37.2 13.4 94 99 A I < - 0 0 0 -5,-2.8 -1,-0.2 -8,-0.1 -21,-0.2 -0.930 41.4-148.7-119.3 105.4 -32.2 -33.7 12.1 95 100 A P - 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