==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-JUN-10 3NPX . COMPND 2 MOLECULE: DEOXYRIBOSE PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.KHERSONSKY,D.ROTHLISBERGE,A.M.WOLLACOTT,O.DYM,D.BAKER,D.S. . 496 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0.4 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 2 2 0 0 1 1 4 2 0 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 2 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 4 A D > 0 0 145 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 100.2 -17.8 32.7 4.8 2 5 A L H > + 0 0 54 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.824 360.0 51.0 -63.0 -37.4 -15.6 29.6 5.4 3 6 A K H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 112.9 46.9 -66.4 -44.7 -18.3 27.6 7.3 4 7 A A H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.923 114.7 45.7 -60.8 -46.0 -20.8 28.2 4.5 5 8 A S H X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.875 110.4 55.0 -66.4 -35.5 -18.3 27.3 1.8 6 9 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.890 109.1 45.4 -66.8 -42.5 -17.2 24.2 3.8 7 10 A L H X S+ 0 0 58 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 113.7 51.1 -64.7 -43.5 -20.8 22.8 4.1 8 11 A R H X S+ 0 0 70 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.914 112.2 45.8 -57.7 -44.5 -21.3 23.5 0.4 9 12 A A H >X S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.899 109.1 55.9 -68.0 -40.3 -18.1 21.7 -0.6 10 13 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 32,-0.4 0.933 107.2 48.9 -57.4 -49.1 -18.9 18.7 1.7 11 14 A K H 3< S+ 0 0 104 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.722 111.3 51.5 -66.1 -20.4 -22.3 18.2 -0.1 12 15 A L H << S+ 0 0 10 -4,-0.9 221,-1.2 -3,-0.6 -1,-0.3 0.457 86.2 124.0 -91.2 -4.2 -20.5 18.4 -3.5 13 16 A M E << -a 233 0A 0 -3,-1.4 30,-2.0 -4,-0.5 29,-0.7 -0.286 51.2-157.8 -67.0 139.0 -17.8 15.8 -2.6 14 17 A H E -ab 234 43A 12 219,-3.1 221,-1.4 28,-0.2 2,-0.3 -0.938 35.1-144.6-102.2 96.2 -17.2 12.6 -4.6 15 18 A L E -ab 235 44A 0 28,-2.8 30,-2.5 -2,-0.7 2,-0.3 -0.507 23.4-179.5 -77.5 125.5 -15.6 10.9 -1.6 16 19 A A - 0 0 16 219,-2.5 30,-0.1 -2,-0.3 2,-0.1 -0.758 36.8 -87.3-114.3 164.4 -12.6 8.6 -2.3 17 20 A T > - 0 0 10 28,-0.5 3,-1.4 -2,-0.3 220,-0.1 -0.392 47.4-106.9 -67.6 154.3 -10.4 6.5 0.0 18 21 A A T 3 S+ 0 0 87 1,-0.3 219,-0.2 218,-0.1 218,-0.1 0.805 116.4 26.4 -60.3 -38.6 -7.4 8.3 1.5 19 22 A N T 3 S- 0 0 102 2,-0.3 -1,-0.3 217,-0.1 3,-0.1 0.240 111.2-111.0-106.9 11.9 -4.7 6.7 -0.7 20 23 A G S < S+ 0 0 23 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.594 78.3 129.2 69.0 10.2 -7.0 5.8 -3.6 21 24 A D - 0 0 94 25,-0.0 2,-0.4 -5,-0.0 -2,-0.3 -0.849 42.0-158.6 -97.0 135.7 -6.7 2.1 -2.8 22 25 A D + 0 0 11 -2,-0.4 2,-0.3 -3,-0.1 3,-0.1 -0.889 20.7 160.0-115.6 142.1 -9.9 0.1 -2.4 23 26 A T > - 0 0 64 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.885 55.1-100.1-139.6 166.5 -10.7 -3.2 -0.7 24 27 A D H > S+ 0 0 70 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.933 125.5 47.0 -51.3 -49.3 -14.2 -4.4 0.4 25 28 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 113.1 47.4 -64.1 -39.7 -13.5 -3.4 3.9 26 29 A K H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 112.5 50.0 -70.4 -32.3 -12.2 0.1 2.9 27 30 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.890 109.0 51.1 -74.3 -40.2 -15.2 0.6 0.6 28 31 A I H X S+ 0 0 49 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.952 112.6 47.1 -58.1 -47.0 -17.6 -0.3 3.3 29 32 A A H X S+ 0 0 53 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.880 108.6 55.3 -60.7 -41.7 -15.9 2.2 5.6 30 33 A L H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 104.9 53.2 -56.3 -46.2 -15.9 4.8 2.9 31 34 A C H < S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.927 110.1 47.2 -56.5 -45.5 -19.7 4.4 2.6 32 35 A H H >< S+ 0 0 99 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.884 109.5 54.3 -63.4 -39.3 -20.1 5.0 6.3 33 36 A Q H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 98.0 63.4 -63.9 -33.3 -17.7 8.1 6.1 34 37 A A T 3< S+ 0 0 0 -4,-1.8 7,-1.8 -3,-0.2 2,-1.0 0.671 89.3 76.0 -67.2 -18.3 -19.9 9.6 3.4 35 38 A K E < S+J 40 0B 106 -3,-1.1 5,-0.2 -4,-0.5 -1,-0.1 -0.823 74.9 177.6 -96.4 95.6 -22.7 9.8 5.9 36 39 A T E > -J 39 0B 20 3,-1.7 3,-1.3 -2,-1.0 -2,-0.1 -0.508 44.8-107.2-101.7 167.7 -21.6 12.8 8.1 37 40 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.645 121.4 43.7 -69.1 -10.5 -23.1 14.6 11.1 38 41 A V T 3 S- 0 0 36 1,-0.5 2,-0.2 -31,-0.0 -3,-0.0 0.286 129.1 -67.4-114.6 6.9 -24.0 17.6 8.8 39 42 A G E < -J 36 0B 24 -3,-1.3 -3,-1.7 -29,-0.0 -1,-0.5 -0.741 61.6 -59.6 133.5 178.1 -25.3 15.7 5.8 40 43 A T E -J 35 0B 38 -2,-0.2 -5,-0.2 -5,-0.2 2,-0.1 -0.644 42.5-117.2 -94.2 151.6 -24.2 13.3 3.1 41 44 A T - 0 0 1 -7,-1.8 -30,-0.2 -2,-0.2 -29,-0.1 -0.419 32.8-113.3 -70.8 164.0 -21.6 13.8 0.4 42 45 A D S S- 0 0 29 -29,-0.7 25,-2.5 -32,-0.4 2,-0.3 0.856 82.9 -24.3 -67.8 -36.1 -23.0 13.7 -3.2 43 46 A A E -bc 14 67A 0 -30,-2.0 -28,-2.8 23,-0.3 2,-0.3 -0.948 54.7-114.8-161.1 172.8 -21.1 10.5 -4.1 44 47 A I E -bc 15 68A 0 23,-1.9 25,-3.0 -2,-0.3 2,-0.4 -0.868 20.9-143.2-118.9 159.2 -18.3 8.2 -3.6 45 48 A F E + c 0 69A 46 -30,-2.5 -28,-0.5 -2,-0.3 2,-0.3 -0.986 36.0 146.5-127.4 117.2 -15.6 7.4 -6.1 46 49 A I - 0 0 3 23,-2.2 25,-0.4 -2,-0.4 5,-0.1 -0.934 52.2 -78.9-144.8 163.7 -14.3 3.8 -6.2 47 50 A Y > - 0 0 53 -2,-0.3 3,-1.8 23,-0.2 4,-0.2 -0.382 50.6-108.9 -66.2 149.8 -13.0 1.1 -8.6 48 51 A P G > S+ 0 0 15 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.834 112.9 61.5 -51.0 -43.5 -15.7 -0.6 -10.8 49 52 A R G 3 S+ 0 0 85 1,-0.3 4,-0.3 2,-0.1 288,-0.0 0.682 100.3 56.2 -64.2 -16.4 -15.6 -4.0 -9.1 50 53 A F G <> S+ 0 0 13 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.413 79.3 95.1 -93.2 -0.8 -16.6 -2.5 -5.7 51 54 A I H <> S+ 0 0 1 -3,-2.2 4,-2.9 -4,-0.2 5,-0.2 0.948 82.2 49.2 -58.5 -52.7 -19.8 -0.9 -7.1 52 55 A P H > S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.918 114.3 43.7 -56.1 -47.2 -22.2 -3.8 -6.1 53 56 A I H > S+ 0 0 40 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.894 114.5 51.3 -65.1 -38.0 -20.9 -4.0 -2.4 54 57 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.931 108.1 51.2 -63.4 -46.3 -20.9 -0.2 -2.1 55 58 A R H X S+ 0 0 79 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.916 111.8 48.1 -57.1 -45.0 -24.6 0.0 -3.4 56 59 A K H X S+ 0 0 65 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.917 112.6 48.2 -60.9 -43.6 -25.6 -2.5 -0.8 57 60 A T H X S+ 0 0 12 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.920 110.8 50.1 -66.0 -43.9 -23.8 -0.7 2.0 58 61 A L H <>S+ 0 0 1 -4,-2.9 5,-2.7 1,-0.2 -1,-0.2 0.896 113.2 47.2 -60.4 -41.9 -25.3 2.7 1.0 59 62 A K H ><5S+ 0 0 154 -4,-2.1 3,-1.8 -5,-0.2 -2,-0.2 0.940 110.0 51.9 -65.2 -46.9 -28.8 1.2 1.0 60 63 A E H 3<5S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 108.0 51.4 -64.9 -29.8 -28.4 -0.7 4.3 61 64 A Q T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.367 120.6-108.8 -86.9 4.0 -27.3 2.5 6.1 62 65 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.753 90.6 107.8 76.9 25.3 -30.3 4.4 4.7 63 66 A T > < + 0 0 4 -5,-2.7 3,-1.6 -6,-0.2 -4,-0.2 -0.355 22.3 144.9-125.9 58.5 -28.5 6.6 2.2 64 67 A P T 3 + 0 0 82 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.677 65.3 74.3 -69.4 -11.9 -29.4 5.2 -1.2 65 68 A E T 3 S+ 0 0 113 -7,-0.2 2,-0.4 -3,-0.1 -6,-0.0 0.696 70.3 100.8 -71.1 -20.7 -29.3 8.8 -2.6 66 69 A I S < S- 0 0 1 -3,-1.6 -23,-0.3 -8,-0.1 -24,-0.1 -0.540 72.6-137.7 -69.4 123.3 -25.5 8.8 -2.4 67 70 A R E -c 43 0A 76 -25,-2.5 -23,-1.9 -2,-0.4 2,-0.5 -0.307 3.6-130.6 -85.6 165.1 -24.3 8.2 -6.0 68 71 A I E -c 44 0A 0 -25,-0.2 29,-2.8 27,-0.2 30,-1.5 -0.962 20.9-174.9-122.3 115.6 -21.4 6.0 -7.2 69 72 A W E +cd 45 98A 4 -25,-3.0 -23,-2.2 -2,-0.5 2,-0.2 -0.804 7.0 177.7-101.6 149.7 -18.8 7.2 -9.6 70 73 A T E - d 0 99A 0 28,-1.7 30,-2.7 -2,-0.3 2,-0.3 -0.787 20.2-115.0-140.7-176.8 -16.0 5.0 -11.0 71 74 A S E - d 0 100A 7 -25,-0.4 2,-0.3 -2,-0.2 30,-0.2 -0.916 18.3-173.0-130.9 150.0 -13.1 5.3 -13.5 72 75 A T E S+ d 0 101A 3 28,-2.2 30,-1.9 -2,-0.3 12,-0.1 -0.945 75.1 22.8-138.8 158.9 -12.1 4.0 -16.8 73 76 A N S > S- 0 0 11 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.802 104.9-158.1 55.1 31.7 -8.9 4.2 -18.9 74 77 A F T 4 - 0 0 37 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 -0.789 37.7 -20.1-116.9 140.2 -7.5 4.9 -15.5 75 78 A P T 4 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 95,-0.1 -0.998 128.9 49.4 -91.8 -4.5 -5.1 6.2 -14.4 76 79 A H T 4 S- 0 0 110 1,-0.1 -2,-0.2 28,-0.0 29,-0.1 0.675 82.1-140.9 -77.0 -19.2 -2.8 6.1 -17.4 77 80 A G < - 0 0 2 -4,-2.0 29,-0.4 27,-0.1 30,-0.3 0.948 28.3-171.6 58.7 52.1 -5.0 7.5 -20.1 78 81 A N - 0 0 76 -5,-0.2 -1,-0.1 26,-0.1 6,-0.0 -0.187 29.5-120.0 -66.8 167.6 -3.8 5.2 -22.9 79 82 A D S S+ 0 0 93 25,-0.1 2,-1.0 24,-0.1 -1,-0.1 0.149 72.9 117.7-101.9 20.5 -5.0 5.8 -26.5 80 83 A D > - 0 0 28 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.763 40.8-173.5 -92.1 101.4 -6.7 2.4 -27.0 81 84 A I H > S+ 0 0 44 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.882 81.5 56.7 -62.9 -41.3 -10.4 3.2 -27.7 82 85 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.4 44.7 -58.8 -42.8 -11.5 -0.4 -27.7 83 86 A I H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 113.8 48.6 -66.8 -48.9 -10.1 -1.0 -24.2 84 87 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.899 113.6 48.3 -57.3 -41.9 -11.5 2.3 -22.8 85 88 A L H X S+ 0 0 40 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.920 109.6 50.9 -65.8 -46.0 -14.9 1.5 -24.3 86 89 A A H X S+ 0 0 7 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 112.1 48.0 -55.6 -45.7 -15.0 -2.1 -22.9 87 90 A E H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.879 111.1 51.2 -63.7 -39.5 -14.1 -0.8 -19.4 88 91 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.925 109.3 49.7 -66.2 -43.2 -16.9 1.9 -19.7 89 92 A R H X S+ 0 0 105 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.890 112.3 48.2 -60.6 -40.0 -19.4 -0.8 -20.7 90 93 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 253,-0.2 -2,-0.2 0.918 108.5 54.0 -65.0 -45.3 -18.4 -2.9 -17.7 91 94 A A H X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-0.8 0.910 110.7 46.7 -52.9 -47.3 -18.6 0.2 -15.4 92 95 A I H ><5S+ 0 0 36 -4,-2.2 3,-0.9 3,-0.2 -1,-0.2 0.929 111.4 51.4 -59.9 -46.6 -22.2 0.7 -16.6 93 96 A A H 3<5S+ 0 0 26 -4,-2.2 247,-0.2 1,-0.3 -2,-0.2 0.854 103.3 57.4 -65.6 -35.5 -23.1 -2.9 -16.2 94 97 A Y H 3<5S- 0 0 14 -4,-2.6 -1,-0.3 245,-0.1 -2,-0.2 0.758 126.9-101.1 -60.9 -27.7 -21.7 -3.0 -12.6 95 98 A G T <<5 + 0 0 30 -3,-0.9 -3,-0.2 -4,-0.8 -27,-0.2 0.547 57.6 172.3 116.8 16.1 -24.2 -0.2 -11.9 96 99 A A < - 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