==== 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 3NQV . 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. . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 1 0 0 1 0 3 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 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 L > 0 0 77 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.6 10.4 -19.9 -2.9 2 5 A K H > + 0 0 70 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.930 360.0 47.6 -71.2 -47.0 13.5 -18.9 -5.0 3 6 A A H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.926 116.0 44.8 -58.0 -46.0 12.9 -15.2 -4.4 4 7 A S H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.841 111.5 53.7 -69.0 -33.2 12.4 -15.8 -0.6 5 8 A S H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.887 110.5 44.7 -72.6 -39.1 15.4 -18.1 -0.5 6 9 A L H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 114.0 50.9 -67.7 -43.6 17.8 -15.6 -2.0 7 10 A R H < S+ 0 0 74 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.931 113.2 45.4 -56.5 -45.7 16.3 -12.9 0.2 8 11 A A H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.893 108.7 55.3 -68.6 -38.7 16.8 -15.1 3.3 9 12 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 30,-0.4 0.928 106.0 52.6 -60.2 -43.8 20.3 -16.1 2.3 10 13 A K T 3< S+ 0 0 106 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.570 108.1 52.1 -70.1 -10.2 21.3 -12.5 2.1 11 14 A L T < S+ 0 0 10 -3,-1.2 220,-1.3 -4,-0.4 -1,-0.3 0.386 84.8 121.3-100.6 -1.3 19.9 -11.9 5.7 12 15 A M E < -a 231 0A 0 -3,-1.5 28,-1.8 -4,-0.4 27,-1.3 -0.391 49.8-159.3 -70.5 142.8 21.9 -14.8 7.3 13 16 A H E -ab 232 40A 19 218,-2.9 220,-1.5 26,-0.2 2,-0.4 -0.967 32.4-146.2-111.5 100.3 24.4 -14.3 10.1 14 17 A L E +ab 233 41A 0 26,-2.5 28,-2.7 -2,-0.6 2,-0.3 -0.590 22.4 179.2 -85.3 129.5 26.2 -17.5 9.5 15 18 A A E b 0 42A 16 218,-2.3 220,-0.3 -2,-0.4 28,-0.1 -0.805 360.0 360.0-120.2 160.1 27.7 -19.5 12.5 16 19 A T 0 0 89 26,-0.5 219,-0.3 -2,-0.3 -1,-0.1 0.899 360.0 360.0 -83.6 360.0 29.7 -22.7 12.7 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 23 A D 0 0 155 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.2 34.0 -24.4 19.1 19 24 A D + 0 0 19 4,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.273 360.0 174.4 -52.9 142.2 35.4 -21.8 16.8 20 25 A T > - 0 0 50 1,-0.1 4,-2.6 27,-0.0 5,-0.3 -0.908 48.3-100.3-140.7 166.7 39.0 -22.2 15.8 21 26 A D H > S+ 0 0 79 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.942 127.0 46.4 -50.7 -49.4 41.3 -20.3 13.4 22 27 A E H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 113.2 47.5 -59.5 -47.9 40.7 -23.1 10.9 23 28 A N H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.821 112.5 50.2 -61.0 -40.2 36.9 -23.3 11.5 24 29 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.891 108.1 51.5 -72.5 -37.8 36.6 -19.5 11.2 25 30 A I H X S+ 0 0 59 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.952 111.9 47.5 -63.5 -45.4 38.5 -19.3 7.9 26 31 A A H X S+ 0 0 57 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.873 109.8 54.2 -60.9 -41.4 36.3 -22.0 6.5 27 32 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.900 105.9 51.4 -58.4 -46.8 33.2 -20.1 7.8 28 33 A C H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.910 112.2 46.7 -56.9 -44.3 34.3 -16.9 6.0 29 34 A H H >< S+ 0 0 100 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.898 109.1 55.6 -64.3 -37.6 34.7 -18.9 2.8 30 35 A Q H 3< S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.833 99.2 61.4 -65.3 -33.3 31.3 -20.5 3.4 31 36 A A T 3< S+ 0 0 0 -4,-1.9 7,-1.9 1,-0.1 2,-0.8 0.588 90.9 73.1 -66.7 -17.4 29.6 -17.1 3.6 32 37 A K E < S+J 37 0B 105 -3,-1.3 5,-0.2 -4,-0.4 -1,-0.1 -0.875 74.1 177.6-102.6 99.7 30.6 -16.3 0.0 33 38 A T E > -J 36 0B 17 3,-2.1 3,-1.4 -2,-0.8 -2,-0.1 -0.566 45.2-104.2-104.8 167.5 28.2 -18.4 -2.1 34 39 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.680 122.4 41.4 -59.8 -18.7 27.6 -18.9 -5.8 35 40 A V T 3 S- 0 0 41 1,-0.4 2,-0.3 -29,-0.0 -26,-0.0 0.395 129.1 -62.1-110.1 0.8 24.4 -16.8 -5.5 36 41 A G E < -J 33 0B 20 -3,-1.4 -3,-2.1 -27,-0.0 -1,-0.4 -0.842 60.4 -66.3 140.3 177.1 25.6 -14.1 -3.2 37 42 A N E -J 32 0B 29 -2,-0.3 -5,-0.2 -5,-0.2 -25,-0.1 -0.768 38.3-117.0-103.6 147.5 27.0 -13.4 0.3 38 43 A T - 0 0 3 -7,-1.9 -28,-0.2 -2,-0.3 -25,-0.1 -0.300 34.6-115.8 -63.4 163.8 25.4 -13.8 3.7 39 44 A D S S- 0 0 28 -27,-1.3 25,-2.9 -30,-0.4 2,-0.3 0.839 83.3 -16.1 -75.1 -29.3 25.1 -10.5 5.5 40 45 A A E -bc 13 64A 0 -28,-1.8 -26,-2.5 23,-0.3 2,-0.3 -0.956 56.1-122.4-159.7 168.2 27.5 -11.5 8.3 41 46 A I E -bc 14 65A 0 23,-2.3 25,-3.0 -2,-0.3 2,-0.5 -0.850 21.7-139.3-117.9 162.5 29.2 -14.3 10.1 42 47 A F E +bc 15 66A 25 -28,-2.7 -26,-0.5 -2,-0.3 2,-0.3 -0.986 36.4 147.2-126.0 121.5 28.9 -15.0 13.9 43 48 A I - 0 0 0 23,-2.1 25,-0.4 -2,-0.5 5,-0.1 -0.905 51.6 -78.5-145.7 165.7 32.0 -15.9 15.8 44 49 A Y > - 0 0 63 -2,-0.3 3,-1.8 23,-0.2 4,-0.2 -0.428 51.5-109.6 -65.0 150.4 33.8 -15.6 19.2 45 50 A P G > S+ 0 0 30 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.835 112.1 61.3 -54.4 -40.1 35.4 -12.2 19.8 46 51 A R G 3 S+ 0 0 139 1,-0.3 4,-0.3 2,-0.1 -2,-0.0 0.704 99.6 56.4 -67.0 -16.7 39.0 -13.3 19.6 47 52 A F G <> S+ 0 0 16 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.386 78.7 95.8 -93.0 3.0 38.6 -14.6 16.0 48 53 A I H <> S+ 0 0 1 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 0.923 81.3 50.7 -61.9 -46.4 37.4 -11.2 14.7 49 54 A P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.941 113.7 43.3 -58.7 -45.0 40.8 -10.0 13.4 50 55 A I H > S+ 0 0 46 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.880 114.1 51.3 -73.0 -32.7 41.6 -13.2 11.4 51 56 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 108.0 52.7 -63.8 -41.3 38.0 -13.3 10.0 52 57 A R H X S+ 0 0 75 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.947 111.3 46.5 -62.1 -46.5 38.3 -9.7 8.9 53 58 A K H X S+ 0 0 105 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.909 113.1 49.2 -53.6 -48.4 41.5 -10.5 7.1 54 59 A T H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.909 111.8 48.3 -65.2 -41.0 40.0 -13.6 5.5 55 60 A L H <>S+ 0 0 1 -4,-2.9 5,-2.5 1,-0.2 4,-0.2 0.933 112.9 48.1 -66.3 -43.7 36.9 -11.7 4.3 56 61 A K H ><5S+ 0 0 158 -4,-2.5 3,-1.9 -5,-0.3 -2,-0.2 0.942 109.1 53.6 -60.5 -48.5 39.0 -8.9 2.9 57 62 A E H 3<5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.9 49.5 -60.5 -32.3 41.3 -11.4 1.1 58 63 A Q T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.365 120.4-109.0 -91.6 6.0 38.4 -13.2 -0.6 59 64 A G T < 5S+ 0 0 55 -3,-1.9 -3,-0.2 -4,-0.2 3,-0.1 0.689 88.4 111.4 83.2 20.7 37.0 -9.8 -1.8 60 65 A T > < + 0 0 2 -5,-2.5 3,-1.6 -6,-0.2 -4,-0.2 -0.443 22.9 149.0-123.5 59.1 34.0 -9.7 0.5 61 66 A P T 3 + 0 0 87 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.637 67.5 68.0 -65.7 -15.0 34.8 -6.8 2.9 62 67 A E T 3 S+ 0 0 115 -7,-0.1 2,-0.5 -3,-0.1 -2,-0.0 0.574 70.3 105.0 -85.7 -10.0 31.1 -6.0 3.2 63 68 A I S < S- 0 0 1 -3,-1.6 -23,-0.3 -11,-0.1 -24,-0.1 -0.617 72.4-135.4 -68.1 120.4 30.3 -9.3 5.0 64 69 A R E -c 40 0A 67 -25,-2.9 -23,-2.3 -2,-0.5 2,-0.5 -0.356 4.2-132.8 -80.1 159.5 29.8 -8.1 8.6 65 70 A I E -c 41 0A 0 -25,-0.2 29,-2.8 27,-0.2 30,-1.2 -0.944 22.7-174.7-117.3 117.3 31.2 -9.7 11.8 66 71 A C E +cd 42 95A 4 -25,-3.0 -23,-2.1 -2,-0.5 2,-0.2 -0.799 7.3 170.9-106.8 146.7 28.9 -10.3 14.7 67 72 A T E - d 0 96A 0 28,-1.8 30,-2.9 -2,-0.3 2,-0.3 -0.820 20.9-122.9-143.2-175.7 29.9 -11.6 18.1 68 73 A S E - d 0 97A 8 -25,-0.4 2,-0.3 -2,-0.2 30,-0.2 -0.968 14.7-169.7-137.4 153.9 28.6 -12.1 21.6 69 74 A T E S+ d 0 98A 3 28,-1.9 30,-2.3 -2,-0.3 12,-0.1 -0.884 72.9 35.3-137.6 166.3 29.3 -11.2 25.2 70 75 A N S > S- 0 0 8 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.820 105.5-157.3 56.2 35.1 28.1 -12.1 28.7 71 76 A F T 4 - 0 0 54 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 -0.737 37.1 -17.0-118.9 143.1 27.9 -15.4 26.8 72 77 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 93,-0.1 -0.983 128.4 48.9 -94.8 -2.7 26.6 -17.9 26.9 73 78 A H T 4 S- 0 0 109 1,-0.1 -2,-0.2 28,-0.0 -3,-0.1 0.627 79.9-138.8 -70.3 -25.2 25.3 -17.8 30.5 74 79 A G < - 0 0 1 -4,-2.2 29,-0.4 27,-0.1 30,-0.3 0.936 32.3-175.6 64.6 44.0 23.7 -14.4 30.8 75 80 A N - 0 0 77 -5,-0.3 -1,-0.1 26,-0.1 27,-0.0 -0.175 31.6-119.9 -67.6 170.5 25.2 -13.7 34.3 76 81 A D S S+ 0 0 94 25,-0.1 2,-0.8 24,-0.1 -1,-0.1 0.110 72.2 117.5-106.4 23.9 24.2 -10.5 36.1 77 82 A D > - 0 0 68 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.799 41.2-172.4 -93.1 105.9 27.6 -8.9 36.5 78 83 A I H > S+ 0 0 44 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.894 80.8 57.2 -67.5 -42.3 27.5 -5.6 34.6 79 84 A D H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 111.4 43.5 -56.8 -42.0 31.2 -4.8 35.0 80 85 A I H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.948 113.4 49.2 -70.6 -49.2 32.1 -8.1 33.3 81 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.917 114.2 48.2 -53.4 -42.1 29.5 -7.9 30.6 82 87 A L H X S+ 0 0 24 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.928 110.1 50.0 -68.0 -43.3 30.7 -4.3 29.9 83 88 A A H X S+ 0 0 60 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.925 111.7 49.0 -58.9 -45.8 34.4 -5.3 29.9 84 89 A E H X S+ 0 0 77 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.911 111.1 50.7 -60.3 -40.4 33.7 -8.1 27.4 85 90 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.929 108.9 50.5 -66.1 -41.8 31.7 -5.7 25.2 86 91 A R H X S+ 0 0 144 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.900 111.6 48.7 -61.3 -41.0 34.5 -3.2 25.2 87 92 A A H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 108.5 52.8 -64.4 -45.2 36.9 -6.0 24.2 88 93 A A H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-1.1 0.922 110.2 49.2 -55.0 -43.3 34.6 -7.2 21.4 89 94 A I H ><5S+ 0 0 35 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.944 110.1 51.4 -61.6 -45.8 34.5 -3.6 20.1 90 95 A A H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.841 103.4 56.7 -60.2 -37.6 38.3 -3.4 20.3 91 96 A Y H 3<5S- 0 0 105 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.779 127.9 -99.0 -65.3 -27.4 38.7 -6.7 18.3 92 97 A G T <<5 + 0 0 28 -4,-1.1 -3,-0.2 -3,-0.8 -27,-0.2 0.582 56.7 174.7 118.8 21.5 36.7 -5.0 15.5 93 98 A A < - 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