==== 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 (NAD(A)) 02-MAY-95 1PSD . COMPND 2 MOLECULE: D-3-PHOSPHOGLYCERATE DEHYDROGENASE (PHOSPHOGLYCER . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.J.SCHULLER,G.A.GRANT,L.J.BANASZAK . 810 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 72.7 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 . 54 6.7 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 . 75 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 1 2 3 2 3 5 3 0 2 1 0 1 1 0 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 2 2 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 7 A E 0 0 111 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 102.9 28.5 -3.5 13.0 2 8 A K > - 0 0 120 23,-0.4 3,-0.8 3,-0.2 26,-0.6 -0.995 360.0-145.6-146.8 142.4 25.4 -1.6 11.7 3 9 A D T 3 S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.2 23,-0.0 0.725 102.6 37.4 -74.4 -25.7 24.7 1.2 9.2 4 10 A K T 3 S+ 0 0 150 2,-0.1 2,-1.0 23,-0.1 -1,-0.2 -0.038 78.6 112.3-120.1 31.9 21.8 2.8 11.2 5 11 A I < - 0 0 20 -3,-0.8 2,-0.2 43,-0.0 -3,-0.2 -0.855 66.3-141.5-103.8 90.2 23.1 2.5 14.8 6 12 A K - 0 0 16 -2,-1.0 43,-2.3 41,-0.4 44,-2.1 -0.389 14.8-160.9 -61.4 127.3 23.6 6.2 15.4 7 13 A F E -ab 29 50A 0 21,-2.6 23,-3.2 42,-0.2 2,-0.7 -0.947 2.0-161.7-110.9 119.4 26.6 7.3 17.5 8 14 A L E -ab 30 51A 0 42,-3.5 44,-2.7 -2,-0.5 2,-0.5 -0.910 11.9-179.0-105.0 111.1 26.4 10.8 19.0 9 15 A L E +ab 31 52A 1 21,-2.3 23,-0.6 -2,-0.7 2,-0.2 -0.947 5.7 173.4-114.3 127.6 29.9 12.1 20.0 10 16 A V + 0 0 0 42,-2.5 25,-0.2 -2,-0.5 3,-0.1 -0.762 49.7 39.7-125.4 172.3 30.3 15.5 21.6 11 17 A E S S- 0 0 12 23,-2.3 22,-0.2 -2,-0.2 23,-0.2 0.778 117.2 -71.6 59.7 31.3 33.0 17.6 23.2 12 18 A G - 0 0 22 20,-2.7 2,-0.2 22,-0.4 -1,-0.2 0.952 59.2-161.1 53.0 67.4 35.7 16.6 20.8 13 19 A V - 0 0 2 19,-0.2 5,-0.2 1,-0.1 -1,-0.1 -0.554 37.3 -84.5 -76.2 141.5 36.5 13.0 21.6 14 20 A H >> - 0 0 39 281,-0.2 3,-1.9 -2,-0.2 4,-1.0 -0.053 33.0-116.1 -48.5 146.5 39.9 12.0 20.2 15 21 A Q H 3> S+ 0 0 110 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.714 109.9 69.0 -56.0 -26.4 40.2 10.8 16.6 16 22 A K H 3> S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.773 97.4 51.5 -67.6 -25.2 41.3 7.3 17.7 17 23 A A H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.944 110.2 47.9 -74.0 -49.6 37.8 6.6 19.1 18 24 A L H X S+ 0 0 5 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.921 112.5 51.8 -53.7 -45.7 36.2 7.6 15.9 19 25 A E H X S+ 0 0 108 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.901 109.0 48.2 -59.9 -44.9 38.7 5.4 14.2 20 26 A S H X S+ 0 0 32 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.799 106.4 56.4 -69.8 -29.6 37.9 2.4 16.4 21 27 A L H ><>S+ 0 0 2 -4,-2.1 5,-2.4 2,-0.2 3,-0.7 0.982 109.4 46.2 -64.3 -52.6 34.1 2.6 16.0 22 28 A R H ><5S+ 0 0 136 -4,-1.8 3,-2.0 1,-0.3 -2,-0.2 0.868 107.3 57.6 -55.6 -41.9 34.5 2.4 12.2 23 29 A A H 3<5S+ 0 0 89 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.880 102.9 54.9 -57.8 -36.0 36.9 -0.5 12.6 24 30 A A T <<5S- 0 0 14 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.074 129.7-101.5 -84.3 23.6 34.1 -2.2 14.5 25 31 A G T < 5S+ 0 0 28 -3,-2.0 2,-0.9 1,-0.2 -23,-0.4 0.654 79.9 140.0 67.0 14.4 31.9 -1.6 11.4 26 32 A Y < + 0 0 6 -5,-2.4 -1,-0.2 -25,-0.2 -2,-0.1 -0.790 12.5 155.1 -97.0 100.5 30.2 1.3 13.1 27 33 A T + 0 0 96 -2,-0.9 2,-1.7 -25,-0.6 -1,-0.2 0.859 42.3 90.4 -90.7 -46.5 29.7 4.1 10.5 28 34 A N + 0 0 39 -26,-0.6 -21,-2.6 -23,-0.1 2,-0.5 -0.365 56.7 158.6 -61.1 88.7 26.8 6.3 11.5 29 35 A I E -a 7 0A 33 -2,-1.7 2,-0.8 -23,-0.2 -21,-0.2 -0.958 29.8-167.2-121.1 121.5 28.7 8.8 13.5 30 36 A E E -a 8 0A 55 -23,-3.2 -21,-2.3 -2,-0.5 2,-0.2 -0.874 23.3-167.4-106.6 97.2 27.5 12.4 14.4 31 37 A F E -a 9 0A 62 -2,-0.8 2,-0.3 -23,-0.2 -21,-0.2 -0.528 14.6-173.2 -88.5 152.4 30.6 14.2 15.7 32 38 A H - 0 0 45 -23,-0.6 -20,-2.7 -2,-0.2 -19,-0.2 -0.896 17.9-157.7-149.3 113.2 30.9 17.5 17.5 33 39 A K S S+ 0 0 162 -2,-0.3 2,-0.2 -22,-0.2 -1,-0.1 0.783 83.2 29.6 -58.4 -29.8 34.1 19.2 18.3 34 40 A G S S- 0 0 38 -23,-0.2 -23,-2.3 1,-0.2 -22,-0.4 -0.466 97.8 -70.4-121.2-169.1 32.3 21.2 21.0 35 41 A A - 0 0 59 -25,-0.2 2,-0.4 -24,-0.2 -1,-0.2 -0.393 38.9-135.5 -81.7 163.0 29.4 21.0 23.4 36 42 A L - 0 0 17 -2,-0.1 5,-0.0 -4,-0.1 -26,-0.0 -0.988 18.6-120.5-125.9 127.5 25.8 21.1 22.5 37 43 A D >> - 0 0 92 -2,-0.4 4,-3.4 1,-0.1 3,-0.7 -0.315 33.1-103.4 -65.2 150.1 23.1 23.1 24.2 38 44 A D H 3> S+ 0 0 75 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.790 120.3 50.9 -39.7 -50.1 20.1 21.4 25.8 39 45 A E H 3> S+ 0 0 149 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.926 119.9 35.5 -58.6 -47.1 17.7 22.4 23.0 40 46 A Q H <> S+ 0 0 82 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.810 110.8 62.6 -77.8 -32.4 20.1 21.1 20.3 41 47 A L H X S+ 0 0 4 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.928 101.9 53.1 -58.1 -46.4 21.3 18.2 22.3 42 48 A K H X S+ 0 0 52 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.879 105.2 50.5 -57.9 -47.2 17.8 16.7 22.4 43 49 A E H < S+ 0 0 111 -4,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.883 117.7 42.5 -61.7 -35.3 17.2 16.8 18.7 44 50 A S H < S+ 0 0 14 -4,-1.6 -2,-0.2 1,-0.2 3,-0.2 0.925 114.7 46.3 -75.4 -50.3 20.5 15.0 18.2 45 51 A I H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.2 24,-0.3 0.670 92.5 87.5 -69.9 -16.9 20.3 12.4 21.0 46 52 A R T 3< S+ 0 0 113 -4,-1.5 23,-1.6 1,-0.3 22,-1.1 0.941 101.7 21.5 -49.9 -71.3 16.8 11.4 20.1 47 53 A D T 3 S+ 0 0 73 -4,-0.5 -41,-0.4 -3,-0.2 2,-0.3 0.177 101.9 119.7 -87.7 23.0 17.3 8.7 17.5 48 54 A A < - 0 0 0 -3,-1.2 21,-0.2 1,-0.1 -41,-0.2 -0.669 45.5-168.2 -89.5 138.4 20.8 8.1 18.8 49 55 A H S S+ 0 0 32 -43,-2.3 22,-3.2 -2,-0.3 23,-1.3 0.865 74.4 24.7 -89.7 -45.5 21.8 4.7 20.1 50 56 A F E -bc 7 72A 0 -44,-2.1 -42,-3.5 20,-0.2 2,-0.4 -0.932 63.5-166.6-124.1 147.3 25.1 5.6 21.7 51 57 A I E -bc 8 73A 0 21,-1.2 23,-2.7 -2,-0.3 2,-0.5 -0.999 5.9-162.5-134.4 132.6 26.5 8.9 23.1 52 58 A G E +bc 9 74A 0 -44,-2.7 -42,-2.5 -2,-0.4 2,-0.3 -0.981 26.9 162.9-113.5 118.6 30.1 9.7 24.0 53 59 A L E - c 0 75A 0 21,-2.2 23,-2.1 -2,-0.5 2,-0.2 -0.842 20.6-152.4-132.0 171.3 30.3 12.8 26.2 54 60 A R > - 0 0 63 -2,-0.3 3,-0.6 21,-0.2 23,-0.1 -0.548 51.2 -51.8-127.1-162.1 32.8 14.5 28.5 55 61 A S T 3 S+ 0 0 63 1,-0.2 -44,-0.0 -2,-0.2 22,-0.0 0.541 124.7 48.2 -53.7 -15.4 32.9 16.8 31.5 56 62 A R T 3 S+ 0 0 102 -45,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.817 85.3 85.9-100.5 -34.2 30.6 19.5 30.1 57 63 A T < - 0 0 6 -3,-0.6 2,-0.6 1,-0.1 -20,-0.1 -0.457 65.8-149.7 -69.1 137.6 27.5 17.8 28.7 58 64 A H - 0 0 120 -2,-0.1 2,-1.3 25,-0.0 25,-0.2 -0.919 8.2-164.4-116.6 105.1 24.9 17.2 31.4 59 65 A L B +e 83 0B 1 23,-1.5 25,-2.9 -2,-0.6 2,-0.2 -0.737 20.7 179.2 -89.7 89.8 22.7 14.2 30.9 60 66 A T >> - 0 0 67 -2,-1.3 4,-2.5 23,-0.2 3,-0.9 -0.616 46.6-100.3 -89.6 153.2 19.8 15.0 33.3 61 67 A E H 3> S+ 0 0 104 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.810 125.0 59.7 -39.0 -39.4 16.8 12.6 33.8 62 68 A D H 3> S+ 0 0 86 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.961 110.3 38.4 -56.9 -53.8 15.0 15.0 31.5 63 69 A V H X> S+ 0 0 0 -3,-0.9 4,-1.0 2,-0.2 3,-0.7 0.913 114.2 54.5 -65.0 -45.9 17.4 14.4 28.6 64 70 A I H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.909 109.1 49.2 -54.9 -41.9 17.8 10.7 29.4 65 71 A N H 3< S+ 0 0 92 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.715 107.3 55.1 -69.9 -23.8 14.0 10.4 29.2 66 72 A A H << S+ 0 0 37 -4,-0.9 2,-0.7 -3,-0.7 -1,-0.3 0.610 88.7 91.7 -82.3 -16.6 14.0 12.3 25.8 67 73 A A << + 0 0 0 -4,-1.0 -21,-0.2 -3,-0.8 -20,-0.1 -0.747 51.2 173.1 -81.8 114.8 16.5 9.8 24.5 68 74 A E S S+ 0 0 120 -22,-1.1 -1,-0.2 -2,-0.7 -21,-0.2 0.899 76.2 33.0 -90.8 -47.9 14.4 7.1 22.8 69 75 A K S S+ 0 0 96 -23,-1.6 2,-0.5 -24,-0.3 -1,-0.1 0.240 83.0 139.3 -94.3 14.8 17.0 4.8 21.1 70 76 A L + 0 0 0 -24,-0.2 -21,-0.2 -6,-0.2 -20,-0.2 -0.454 15.5 162.2 -65.7 110.6 19.6 5.3 23.8 71 77 A V + 0 0 7 -22,-3.2 2,-0.3 -2,-0.5 -21,-0.2 0.822 61.6 3.3 -98.5 -39.3 21.3 2.0 24.5 72 78 A A E -c 50 0A 0 -23,-1.3 -21,-1.2 21,-0.2 2,-0.4 -0.998 58.5-138.9-152.0 149.0 24.6 2.9 26.4 73 79 A I E -cd 51 95A 0 21,-2.6 23,-2.4 -2,-0.3 2,-0.5 -0.906 14.4-162.5-110.3 134.7 26.4 6.0 27.7 74 80 A G E -cd 52 96A 0 -23,-2.7 -21,-2.2 -2,-0.4 2,-0.8 -0.924 4.9-162.1-125.2 114.1 30.1 6.6 27.4 75 81 A C E -c 53 0A 0 21,-3.3 2,-2.5 -2,-0.5 23,-0.3 -0.777 6.9-158.0 -93.4 104.9 32.1 9.1 29.4 76 82 A F S S+ 0 0 5 -23,-2.1 2,-0.3 -2,-0.8 -21,-0.2 -0.314 72.3 52.9 -78.9 60.3 35.5 9.8 27.8 77 83 A C S S- 0 0 16 -2,-2.5 21,-2.5 -23,-0.1 -2,-0.1 -0.950 93.7-100.1-172.2 177.9 36.9 11.0 31.1 78 84 A I S S+ 0 0 71 -2,-0.3 2,-0.3 19,-0.2 -2,-0.0 0.693 96.7 82.4 -89.1 -18.4 37.4 9.9 34.7 79 85 A G + 0 0 29 1,-0.1 19,-0.1 19,-0.0 -2,-0.1 -0.629 44.3 169.0 -87.5 147.5 34.5 11.9 36.0 80 86 A T > + 0 0 26 -2,-0.3 3,-1.4 17,-0.1 -1,-0.1 0.419 49.8 98.5-137.0 -0.3 30.9 10.6 35.7 81 87 A N T 3 + 0 0 148 1,-0.3 4,-0.0 3,-0.1 -2,-0.0 0.554 65.8 81.5 -69.1 -7.9 28.8 13.0 37.9 82 88 A Q T 3 S+ 0 0 7 -24,-0.1 -23,-1.5 2,-0.1 2,-0.4 0.541 90.2 60.2 -76.1 -4.6 27.7 15.0 34.8 83 89 A V B < S-e 59 0B 8 -3,-1.4 2,-1.5 -25,-0.2 -23,-0.2 -0.968 91.5-113.9-126.2 141.2 25.1 12.3 34.1 84 90 A D > - 0 0 54 -25,-2.9 4,-0.9 -2,-0.4 5,-0.1 -0.571 31.5-171.3 -73.9 94.3 22.1 11.1 36.3 85 91 A L H >> S+ 0 0 47 -2,-1.5 4,-2.5 1,-0.2 3,-1.0 0.912 81.8 48.2 -50.3 -51.9 23.3 7.5 37.0 86 92 A D H 3> S+ 0 0 100 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.921 107.1 53.5 -60.0 -47.9 20.1 6.5 38.5 87 93 A A H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.675 114.0 47.0 -62.9 -14.8 17.8 7.8 35.8 88 94 A A H X<>S+ 0 0 0 -3,-1.0 5,-2.2 -4,-0.9 3,-1.1 0.859 108.5 49.8 -92.3 -45.5 20.0 5.8 33.4 89 95 A A H ><5S+ 0 0 5 -4,-2.5 3,-2.8 1,-0.3 -2,-0.2 0.919 103.3 62.5 -60.2 -42.4 20.1 2.5 35.3 90 96 A K T 3<5S+ 0 0 106 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.701 105.9 46.7 -57.4 -20.6 16.3 2.6 35.6 91 97 A R T < 5S- 0 0 61 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.244 121.7-105.5-105.7 12.9 16.1 2.4 31.8 92 98 A G T < 5S+ 0 0 0 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.909 77.3 138.4 64.2 39.7 18.6 -0.4 31.4 93 99 A I < - 0 0 0 -5,-2.2 -1,-0.2 -8,-0.1 2,-0.2 -0.954 38.2-157.6-120.4 107.8 21.2 2.1 30.2 94 100 A P - 0 0 0 0, 0.0 -21,-2.6 0, 0.0 2,-0.4 -0.538 6.0-141.9 -84.2 153.8 24.7 1.5 31.6 95 101 A V E -d 73 0A 0 -2,-0.2 224,-1.9 -23,-0.2 225,-0.4 -0.958 14.6-168.5-121.5 133.0 27.4 4.1 31.8 96 102 A F E +d 74 0A 3 -23,-2.4 -21,-3.3 -2,-0.4 2,-0.2 -0.790 9.8 167.5-112.5 160.9 31.1 3.6 31.2 97 103 A N - 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