==== 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 3NQ2 . 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. . 491 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.1 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 . 33 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 1 1 0 5 1 0 3 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 7 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 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 0 112 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 99.9 6.8 -15.8 -7.5 2 5 A L H > + 0 0 61 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.809 360.0 55.1 -62.3 -30.0 7.2 -14.5 -3.9 3 6 A K H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.944 109.5 45.9 -67.9 -45.1 9.3 -17.6 -3.2 4 7 A A H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.887 115.0 45.9 -64.0 -41.2 11.7 -16.9 -6.0 5 8 A S H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.846 110.1 55.6 -72.5 -29.5 12.1 -13.1 -5.1 6 9 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.905 109.7 44.4 -67.2 -43.7 12.5 -14.0 -1.4 7 10 A L H X S+ 0 0 77 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.898 114.3 51.3 -66.3 -41.9 15.5 -16.3 -2.1 8 11 A R H X S+ 0 0 69 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.917 112.1 46.5 -55.2 -48.6 16.8 -13.7 -4.5 9 12 A A H >X S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 4,-0.7 0.910 109.1 54.2 -59.6 -47.6 16.5 -11.0 -1.7 10 13 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 32,-0.5 0.894 106.9 51.4 -55.7 -41.2 18.1 -13.2 0.9 11 14 A K H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.645 109.7 50.0 -79.1 -12.8 21.2 -13.7 -1.2 12 15 A L H << S+ 0 0 9 -3,-1.0 221,-0.7 -4,-0.6 -1,-0.3 0.520 87.5 123.1 -94.1 -7.1 21.5 -10.0 -1.8 13 16 A M E << -a 233 0A 0 -3,-1.0 30,-2.3 -4,-0.7 29,-0.7 -0.212 50.1-159.1 -66.2 140.2 21.3 -9.1 1.9 14 17 A H E -ab 234 43A 11 219,-3.4 221,-1.2 28,-0.2 30,-0.3 -0.935 34.3-144.8-103.8 95.2 23.8 -7.1 4.0 15 18 A L E +ab 235 44A 0 28,-2.9 30,-2.4 -2,-0.7 2,-0.3 -0.475 25.6 173.7 -72.5 131.3 22.6 -8.4 7.3 16 19 A A - 0 0 17 219,-1.7 2,-0.2 28,-0.2 30,-0.1 -0.922 36.0-103.2-127.9 158.5 22.7 -6.0 10.3 17 20 A T - 0 0 32 28,-0.4 4,-0.2 -2,-0.3 220,-0.1 -0.538 27.7-131.2 -75.6 145.9 21.4 -6.2 13.9 18 21 A A S S+ 0 0 44 218,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.775 91.6 44.3 -77.5 -27.9 18.2 -4.2 14.5 19 22 A N S S- 0 0 43 1,-0.1 -2,-0.1 217,-0.1 401,-0.1 -0.609 120.9 -57.1 -98.2 173.7 19.6 -2.4 17.7 20 23 A D - 0 0 62 -2,-0.2 2,-1.4 1,-0.1 -1,-0.1 -0.286 50.1-139.3 -56.4 125.7 23.1 -0.9 17.9 21 24 A D + 0 0 10 -4,-0.2 26,-0.5 1,-0.2 -1,-0.1 -0.649 49.7 142.2 -90.9 80.5 25.6 -3.7 17.2 22 25 A D + 0 0 69 -2,-1.4 2,-0.3 24,-0.1 -1,-0.2 0.228 44.6 61.5-114.9 12.7 28.1 -2.8 19.9 23 26 A T S > S- 0 0 63 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.961 76.0-117.2-137.8 160.0 29.4 -6.2 21.3 24 27 A D H > S+ 0 0 89 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.917 116.6 49.4 -54.1 -47.4 31.3 -9.3 20.3 25 28 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 108.7 51.0 -69.2 -34.9 28.3 -11.5 21.2 26 29 A K H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 115.8 44.4 -58.9 -46.0 25.9 -9.3 19.2 27 30 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.904 112.7 49.8 -65.6 -45.9 28.4 -9.7 16.2 28 31 A I H X S+ 0 0 57 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.932 112.0 48.7 -55.5 -48.4 28.9 -13.4 16.7 29 32 A A H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.816 108.9 54.0 -62.2 -34.7 25.1 -13.9 16.8 30 33 A L H X S+ 0 0 2 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.928 105.6 52.8 -64.2 -47.7 24.8 -11.8 13.6 31 34 A C H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.932 111.1 46.6 -51.1 -48.8 27.4 -14.1 11.9 32 35 A H H >< S+ 0 0 101 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.874 108.0 56.2 -63.6 -39.3 25.3 -17.2 12.8 33 36 A Q H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.753 98.6 63.1 -61.9 -25.3 22.0 -15.5 11.7 34 37 A A T << S+ 0 0 0 -4,-1.3 7,-2.0 -3,-0.7 2,-0.8 0.625 89.8 73.4 -78.8 -16.0 23.6 -14.9 8.2 35 38 A K E < S+J 40 0B 107 -3,-1.2 5,-0.2 -4,-0.4 -1,-0.1 -0.901 70.4 176.2 -98.2 102.9 23.9 -18.7 7.6 36 39 A T E > -J 39 0B 15 3,-2.1 3,-1.0 -2,-0.8 -2,-0.0 -0.624 45.3-105.5-103.9 165.0 20.3 -19.9 7.0 37 40 A P T 3 S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.749 121.3 42.5 -58.2 -22.0 19.0 -23.4 6.0 38 41 A V T 3 S- 0 0 74 1,-0.4 2,-0.3 -31,-0.0 -3,-0.0 0.432 128.5 -56.8-108.2 -3.3 18.4 -22.2 2.4 39 42 A G E < -J 36 0B 22 -3,-1.0 -3,-2.1 -29,-0.0 -1,-0.4 -0.856 58.8 -72.4 150.2 178.7 21.6 -20.2 1.9 40 43 A T E -J 35 0B 20 -2,-0.3 -5,-0.2 -5,-0.2 -27,-0.1 -0.702 38.6-113.7-104.4 152.9 23.8 -17.3 3.1 41 44 A T - 0 0 0 -7,-2.0 -30,-0.2 -2,-0.3 -27,-0.1 -0.428 33.8-115.9 -68.3 161.1 23.2 -13.6 3.0 42 45 A D S S- 0 0 28 -29,-0.7 25,-2.5 -32,-0.5 2,-0.3 0.878 84.2 -17.7 -65.7 -38.7 25.8 -11.9 0.7 43 46 A A E -bc 14 67A 0 -30,-2.3 -28,-2.9 23,-0.2 2,-0.3 -0.928 54.6-121.2-151.4 172.5 27.3 -10.0 3.7 44 47 A I E -bc 15 68A 0 23,-1.9 25,-2.8 -2,-0.3 2,-0.5 -0.876 22.2-141.1-114.8 160.8 27.0 -8.6 7.2 45 48 A F E + c 0 69A 47 -30,-2.4 -28,-0.4 -2,-0.3 2,-0.3 -0.989 37.1 147.8-126.7 117.3 27.3 -4.9 8.2 46 49 A I - 0 0 6 23,-2.3 25,-0.5 -2,-0.5 -24,-0.1 -0.899 51.0 -80.0-143.3 164.5 29.2 -4.1 11.4 47 50 A Y > - 0 0 43 -26,-0.5 3,-1.6 -2,-0.3 4,-0.2 -0.415 49.5-109.9 -65.7 148.7 31.5 -1.5 13.1 48 51 A P G > S+ 0 0 27 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.833 112.1 60.7 -53.3 -42.3 35.1 -1.6 12.0 49 52 A R G 3 S+ 0 0 135 1,-0.3 4,-0.3 2,-0.1 -2,-0.0 0.695 101.3 55.8 -62.5 -21.2 36.6 -2.9 15.3 50 53 A F G <> S+ 0 0 13 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.412 79.7 94.4 -90.6 0.9 34.5 -6.1 15.0 51 54 A I H <> S+ 0 0 0 -3,-2.0 4,-2.9 -4,-0.2 5,-0.2 0.915 83.3 48.4 -63.5 -47.7 35.8 -7.2 11.5 52 55 A P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.922 115.2 44.3 -61.1 -43.8 38.5 -9.5 12.7 53 56 A I H > S+ 0 0 60 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.920 115.1 49.6 -64.7 -40.7 36.3 -11.4 15.2 54 57 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.918 109.4 52.1 -60.2 -45.4 33.5 -11.5 12.6 55 58 A R H X S+ 0 0 78 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.943 112.2 44.8 -57.6 -47.6 35.9 -12.9 10.0 56 59 A K H X S+ 0 0 118 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.914 113.4 51.9 -62.6 -42.7 37.1 -15.7 12.3 57 60 A T H X S+ 0 0 15 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.903 111.1 45.7 -62.5 -46.1 33.4 -16.4 13.3 58 61 A L H <>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 -1,-0.2 0.898 114.2 49.5 -62.5 -43.3 32.3 -16.7 9.6 59 62 A K H ><5S+ 0 0 157 -4,-2.6 3,-1.9 -5,-0.2 -2,-0.2 0.953 109.2 51.4 -60.0 -49.8 35.4 -18.9 8.8 60 63 A E H 3<5S+ 0 0 144 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.6 52.8 -66.0 -23.5 34.7 -21.2 11.8 61 64 A Q T 3<5S- 0 0 27 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.341 119.2-107.4 -90.8 6.4 31.1 -21.7 10.8 62 65 A G T < 5S+ 0 0 53 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.725 92.5 105.3 77.1 23.3 32.0 -22.8 7.2 63 66 A T > < + 0 0 3 -5,-2.5 3,-1.2 -6,-0.2 -4,-0.1 -0.471 25.2 146.9-128.5 62.1 30.8 -19.6 5.5 64 67 A P T 3 + 0 0 84 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.607 66.1 70.7 -71.7 -11.3 34.0 -17.7 4.6 65 68 A E T 3 + 0 0 105 -7,-0.1 2,-0.4 -3,-0.1 -6,-0.0 0.530 69.9 104.7 -81.7 -8.1 32.3 -16.4 1.4 66 69 A I S < S- 0 0 2 -3,-1.2 -23,-0.2 -11,-0.1 -24,-0.1 -0.645 70.9-138.7 -71.2 123.1 30.0 -14.1 3.5 67 70 A R E -c 43 0A 76 -25,-2.5 -23,-1.9 -2,-0.4 2,-0.5 -0.366 3.2-126.9 -84.2 165.2 31.6 -10.6 3.0 68 71 A I E -c 44 0A 0 -25,-0.2 29,-3.2 27,-0.2 30,-1.8 -0.954 21.0-173.9-123.2 115.1 32.0 -7.9 5.6 69 72 A W E -cd 45 98A 4 -25,-2.8 -23,-2.3 -2,-0.5 2,-0.2 -0.820 9.6-180.0 -98.8 142.3 30.8 -4.3 5.1 70 73 A T E - d 0 99A 0 28,-2.0 30,-3.1 -2,-0.4 2,-0.4 -0.787 20.1-115.8-134.4 179.7 31.6 -1.6 7.6 71 74 A S E + d 0 100A 7 -25,-0.5 2,-0.3 -2,-0.2 30,-0.2 -0.920 21.6 179.7-125.2 144.7 30.9 2.2 8.1 72 75 A T E S+ d 0 101A 2 28,-2.1 30,-1.8 -2,-0.4 12,-0.1 -0.952 73.3 23.4-137.6 164.5 33.0 5.3 8.1 73 76 A N S > S- 0 0 9 -2,-0.3 4,-2.2 28,-0.2 5,-0.2 0.812 106.7-158.7 47.9 36.4 32.2 9.1 8.6 74 77 A F T 4 - 0 0 37 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 -0.824 36.8 -21.0-121.2 138.1 29.2 7.4 10.3 75 78 A P T 4 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 95,-0.1 -0.996 128.8 52.3 -94.9 -5.8 26.5 8.1 11.1 76 79 A H T 4 S- 0 0 116 1,-0.1 -2,-0.2 28,-0.0 29,-0.1 0.689 79.4-143.0 -68.4 -25.1 26.8 11.8 11.1 77 80 A G < - 0 0 1 -4,-2.2 29,-0.4 27,-0.1 30,-0.4 0.912 29.4-174.4 59.1 45.6 28.3 12.5 7.6 78 81 A N - 0 0 85 -5,-0.2 -1,-0.1 26,-0.1 6,-0.0 -0.113 30.8-119.4 -61.3 166.2 30.6 15.4 8.9 79 82 A D S S+ 0 0 97 25,-0.1 2,-0.9 24,-0.0 -1,-0.1 0.132 73.8 115.7-104.3 22.4 32.6 17.4 6.4 80 83 A D > - 0 0 66 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.811 42.0-172.6 -95.9 105.4 36.1 16.7 7.6 81 84 A I H > S+ 0 0 42 -2,-0.9 4,-3.0 2,-0.2 5,-0.3 0.902 81.2 58.7 -63.8 -42.3 37.8 14.7 4.9 82 85 A D H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 110.7 43.0 -56.2 -45.9 40.9 13.9 6.9 83 86 A I H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.936 114.1 49.6 -63.0 -50.8 38.8 12.1 9.5 84 87 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.904 114.5 47.0 -57.3 -41.5 36.6 10.3 6.9 85 88 A L H X S+ 0 0 25 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.906 110.6 49.4 -67.3 -47.0 39.8 9.2 5.2 86 89 A A H X S+ 0 0 60 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.921 112.6 48.7 -60.6 -43.2 41.6 8.0 8.3 87 90 A E H X S+ 0 0 80 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.892 112.1 50.4 -60.3 -41.2 38.5 6.0 9.4 88 91 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.928 109.5 49.1 -64.5 -43.5 38.4 4.6 5.9 89 92 A R H X S+ 0 0 156 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.880 112.8 48.8 -64.7 -37.0 42.1 3.6 6.0 90 93 A A H X S+ 0 0 43 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.931 108.0 53.4 -65.9 -45.9 41.5 1.9 9.4 91 94 A A H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.8 0.914 110.7 47.1 -54.6 -48.1 38.4 0.0 8.1 92 95 A I H ><5S+ 0 0 36 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.924 110.8 52.8 -56.3 -48.0 40.5 -1.4 5.2 93 96 A A H 3<5S+ 0 0 87 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.852 103.4 56.3 -59.0 -37.6 43.3 -2.3 7.7 94 97 A Y H 3<5S- 0 0 107 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.727 127.9-100.8 -65.3 -25.7 40.9 -4.2 9.8 95 98 A G T <<5 + 0 0 30 -3,-1.0 -3,-0.2 -4,-0.8 -27,-0.2 0.562 56.6 174.3 114.5 19.4 40.0 -6.3 6.7 96 99 A A < - 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