==== 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 3NPV . 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. . 495 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 13.5 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 . 27 5.5 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 . 209 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 1 1 1 1 0 6 1 0 2 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 9 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 1 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 B D > 0 0 176 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.2 26.4 -14.8 46.9 2 5 B L H > + 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.858 360.0 48.1 -63.3 -41.4 25.9 -12.5 43.8 3 6 B K H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 115.0 46.8 -59.8 -50.2 26.7 -15.2 41.1 4 7 B A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 113.4 47.1 -57.9 -48.6 24.4 -17.6 42.8 5 8 B S H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.858 110.6 54.9 -58.8 -38.3 21.6 -15.1 43.2 6 9 B S H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.893 107.9 45.9 -67.6 -40.5 22.1 -14.1 39.5 7 10 B L H X S+ 0 0 59 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.923 114.1 51.2 -65.4 -39.5 21.7 -17.6 38.1 8 11 B R H X S+ 0 0 72 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.938 111.0 45.7 -60.1 -48.0 18.7 -18.0 40.3 9 12 B A H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 4,-0.5 0.887 110.0 56.4 -64.0 -40.2 17.0 -14.8 39.1 10 13 B L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 30,-0.5 0.950 106.5 49.2 -57.1 -47.4 17.8 -15.6 35.4 11 14 B K H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.729 112.8 48.0 -67.5 -20.6 16.0 -18.9 35.7 12 15 B L T << S+ 0 0 11 -4,-0.9 219,-1.6 -3,-0.5 -1,-0.3 0.387 87.2 125.6 -95.5 5.3 13.0 -17.1 37.3 13 16 B M E < -a 231 0A 0 -3,-1.6 28,-2.2 -4,-0.5 27,-0.8 -0.356 51.4-155.7 -74.3 143.5 12.8 -14.3 34.7 14 17 B H E -ab 232 41A 12 217,-3.4 219,-1.5 26,-0.2 2,-0.4 -0.945 33.9-145.0-100.1 94.4 9.8 -13.4 32.7 15 18 B L E +ab 233 42A 0 26,-2.7 28,-2.4 -2,-0.7 2,-0.3 -0.554 23.6 179.3 -79.3 125.9 11.9 -11.9 29.9 16 19 B A E - b 0 43A 20 217,-2.5 2,-0.2 -2,-0.4 28,-0.1 -0.748 34.8 -97.2-116.9 159.2 10.3 -8.8 28.2 17 20 B T 0 0 62 26,-0.5 218,-0.1 -2,-0.3 8,-0.0 -0.506 360.0 360.0 -69.9 151.3 11.5 -6.5 25.4 18 21 B A 0 0 113 -2,-0.2 -1,-0.0 216,-0.1 215,-0.0 -0.791 360.0 360.0 -97.3 360.0 13.1 -3.3 26.6 19 ! 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 20 25 B D 0 0 109 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 99.8 6.7 -4.2 19.1 21 26 B T > - 0 0 68 1,-0.1 4,-2.2 27,-0.0 5,-0.2 -0.922 360.0-109.6-140.8 163.0 7.2 -6.4 15.9 22 27 B D H > S+ 0 0 73 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.881 118.7 55.5 -60.3 -40.1 7.3 -10.1 15.1 23 28 B E H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 107.9 48.1 -61.1 -38.6 11.1 -9.7 14.4 24 29 B K H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 111.3 50.2 -71.4 -32.8 11.7 -8.3 17.9 25 30 B V H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 108.5 52.0 -72.5 -34.7 9.7 -11.0 19.5 26 31 B I H X S+ 0 0 55 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.936 110.7 48.5 -61.8 -46.9 11.6 -13.7 17.5 27 32 B A H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 109.0 54.4 -58.7 -39.4 14.9 -12.1 18.8 28 33 B L H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.918 105.9 52.1 -60.9 -43.7 13.4 -12.1 22.4 29 34 B C H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.901 110.3 48.4 -60.9 -43.8 12.7 -15.8 22.2 30 35 B H H >< S+ 0 0 96 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.899 108.7 54.0 -63.8 -38.2 16.4 -16.4 21.1 31 36 B Q H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 97.9 64.0 -65.3 -28.3 17.6 -14.3 24.0 32 37 B A T 3< S+ 0 0 0 -4,-1.7 7,-2.0 -3,-0.2 2,-1.0 0.657 89.1 72.6 -70.0 -18.3 15.6 -16.4 26.5 33 38 B K E < S+J 38 0B 112 -3,-1.2 5,-0.2 -4,-0.5 -1,-0.2 -0.831 79.4 179.5 -97.5 92.9 17.8 -19.4 25.5 34 39 B T E > -J 37 0B 15 3,-1.6 3,-1.5 -2,-1.0 -2,-0.1 -0.514 42.5-105.2 -97.1 166.3 20.9 -18.1 27.3 35 40 B P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.642 120.8 40.7 -63.0 -14.4 24.4 -19.7 27.6 36 41 B V T 3 S- 0 0 40 1,-0.5 2,-0.2 210,-0.0 -3,-0.0 0.253 130.4 -56.2-115.0 5.6 23.7 -20.7 31.3 37 42 B G E < -J 34 0B 22 -3,-1.5 -3,-1.6 -27,-0.0 -1,-0.5 -0.715 63.8 -67.3 140.1 170.3 20.1 -21.9 30.9 38 43 B T E -J 33 0B 39 -5,-0.2 -5,-0.2 -2,-0.2 -25,-0.1 -0.650 43.1-117.2 -90.7 150.5 16.6 -20.7 29.8 39 44 B T - 0 0 1 -7,-2.0 -28,-0.2 -2,-0.3 -27,-0.1 -0.388 31.6-112.9 -70.2 166.7 14.6 -18.1 31.5 40 45 B D S S- 0 0 19 -27,-0.8 25,-2.7 -30,-0.5 2,-0.3 0.896 83.8 -20.7 -68.7 -37.6 11.3 -19.3 32.9 41 46 B A E -bc 14 65A 0 -28,-2.2 -26,-2.7 23,-0.3 2,-0.3 -0.930 54.2-119.2-156.0 171.0 9.2 -17.4 30.4 42 47 B I E -bc 15 66A 0 23,-2.1 25,-3.0 -2,-0.3 2,-0.4 -0.884 21.8-146.1-115.3 160.1 8.8 -14.5 28.0 43 48 B Y E +bc 16 67A 49 -28,-2.4 -26,-0.5 -2,-0.3 2,-0.3 -0.994 33.7 148.0-132.7 117.0 6.3 -11.7 28.5 44 49 B I - 0 0 12 23,-2.1 25,-0.3 -2,-0.4 5,-0.1 -0.914 51.6 -78.0-143.4 165.6 4.8 -10.2 25.3 45 50 B Y > - 0 0 63 -2,-0.3 3,-1.9 23,-0.2 4,-0.3 -0.364 51.5-108.6 -68.9 153.4 1.6 -8.6 24.0 46 51 B P G > S+ 0 0 14 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.821 112.7 61.9 -57.1 -37.7 -1.1 -11.1 23.2 47 52 B R G 3 S+ 0 0 69 1,-0.3 4,-0.3 2,-0.1 -2,-0.0 0.693 100.3 56.6 -64.4 -17.8 -1.0 -10.9 19.4 48 53 B F G <> S+ 0 0 10 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.488 80.0 94.2 -92.3 1.2 2.6 -12.1 19.4 49 54 B I H <> S+ 0 0 0 -3,-2.1 4,-2.8 -4,-0.3 5,-0.2 0.921 81.3 49.8 -62.7 -46.7 1.9 -15.4 21.2 50 55 B P H > S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.923 114.4 43.4 -60.1 -46.3 1.4 -17.7 18.2 51 56 B I H > S+ 0 0 38 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.900 114.5 50.9 -66.0 -38.4 4.7 -16.6 16.5 52 57 B A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.923 108.4 52.0 -64.1 -40.3 6.6 -16.8 19.8 53 58 B R H X S+ 0 0 79 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.937 111.2 47.0 -60.9 -43.5 5.3 -20.3 20.5 54 59 B K H X S+ 0 0 72 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.907 113.2 49.5 -65.0 -41.2 6.5 -21.5 17.1 55 60 B T H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.924 110.5 49.0 -63.2 -48.6 9.9 -19.8 17.6 56 61 B L H <>S+ 0 0 1 -4,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.883 113.1 48.7 -58.7 -39.0 10.4 -21.4 21.0 57 62 B K H ><5S+ 0 0 157 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.931 109.9 51.1 -65.8 -44.0 9.5 -24.8 19.6 58 63 B E H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.747 107.7 51.6 -72.8 -23.7 11.8 -24.5 16.6 59 64 B Q T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.308 119.9-107.2 -94.6 11.3 14.8 -23.6 18.8 60 65 B G T < 5S+ 0 0 53 -3,-1.7 -3,-0.2 -5,-0.1 3,-0.1 0.722 91.4 106.7 79.1 21.4 14.3 -26.6 21.0 61 66 B T > < + 0 0 4 -5,-2.5 3,-1.8 -6,-0.2 -4,-0.2 -0.377 22.9 146.2-128.0 58.8 13.0 -24.8 24.1 62 67 B P T 3 + 0 0 81 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.706 66.7 73.0 -69.2 -9.8 9.2 -25.5 24.2 63 68 B E T 3 + 0 0 112 -7,-0.1 2,-0.4 -3,-0.1 -6,-0.1 0.632 69.3 101.2 -75.9 -16.3 9.4 -25.4 28.0 64 69 B I S < S- 0 0 1 -3,-1.8 -23,-0.3 -8,-0.1 -24,-0.1 -0.572 73.2-136.7 -69.1 125.7 9.8 -21.7 28.1 65 70 B R E -c 41 0A 71 -25,-2.7 -23,-2.1 -2,-0.4 2,-0.5 -0.356 4.5-133.1 -84.0 163.5 6.4 -20.3 29.0 66 71 B I E -c 42 0A 0 -25,-0.2 29,-2.8 27,-0.2 30,-1.4 -0.969 21.7-176.3-124.0 119.4 4.6 -17.4 27.5 67 72 B W E +cd 43 96A 3 -25,-3.0 -23,-2.1 -2,-0.5 2,-0.2 -0.822 4.9 173.3-105.3 153.6 2.9 -14.7 29.7 68 73 B T E - d 0 97A 0 28,-1.8 30,-2.9 -2,-0.3 2,-0.3 -0.813 22.6-118.8-145.3-177.1 0.9 -11.7 28.5 69 74 B S E - d 0 98A 6 -25,-0.3 2,-0.3 -2,-0.2 30,-0.2 -0.916 17.9-169.8-131.2 155.8 -1.2 -9.0 30.1 70 75 B T E S+ d 0 99A 4 28,-2.1 30,-2.0 -2,-0.3 12,-0.1 -0.888 72.9 31.7-139.4 165.4 -4.8 -7.9 30.0 71 76 B N S > S- 0 0 0 -2,-0.3 4,-2.2 28,-0.2 5,-0.2 0.868 105.0-154.1 56.3 33.2 -6.8 -4.8 31.3 72 77 B F T 4 - 0 0 31 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 -0.833 37.7 -24.5-117.9 141.2 -3.4 -3.3 30.5 73 78 B P T 4 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 95,-0.1 -0.992 127.4 57.7 -92.5 1.3 -1.8 -1.0 31.4 74 79 B H T 4 S- 0 0 35 1,-0.1 -2,-0.2 28,-0.0 29,-0.1 0.672 78.4-143.3 -69.0 -27.1 -4.7 1.1 32.6 75 80 B G < - 0 0 2 -4,-2.2 29,-0.4 27,-0.1 30,-0.4 0.908 31.8-175.2 61.6 44.5 -6.4 -1.1 35.2 76 81 B N - 0 0 64 -5,-0.2 -1,-0.1 1,-0.1 6,-0.0 -0.143 30.8-123.2 -64.2 165.4 -9.8 0.2 34.1 77 82 B D S S+ 0 0 93 25,-0.1 2,-0.9 24,-0.1 -1,-0.1 0.159 72.9 115.1-104.4 25.4 -12.9 -1.0 36.1 78 83 B D > - 0 0 29 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.788 43.1-171.8 -96.1 103.8 -14.9 -2.5 33.1 79 84 B I H > S+ 0 0 43 -2,-0.9 4,-3.0 1,-0.2 5,-0.3 0.898 82.2 57.5 -65.8 -36.7 -15.1 -6.3 33.9 80 85 B D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 109.7 45.0 -63.4 -40.1 -16.6 -7.2 30.5 81 86 B I H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.947 114.5 47.3 -68.9 -46.3 -13.6 -5.6 28.7 82 87 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.918 114.3 48.5 -64.0 -36.1 -11.0 -7.2 31.0 83 88 B L H X S+ 0 0 24 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.920 110.9 49.7 -71.6 -39.8 -12.8 -10.7 30.6 84 89 B A H X S+ 0 0 19 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.911 112.5 47.5 -67.1 -41.2 -13.0 -10.4 26.8 85 90 B E H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.897 111.8 51.2 -65.2 -36.2 -9.3 -9.5 26.6 86 91 B T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.919 109.0 49.5 -65.9 -44.1 -8.4 -12.4 28.9 87 92 B R H X S+ 0 0 136 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.876 111.7 49.7 -62.7 -38.8 -10.4 -14.9 26.8 88 93 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 253,-0.2 -2,-0.2 0.930 108.8 51.6 -65.8 -41.6 -8.6 -13.6 23.7 89 94 B A H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.8 0.910 110.3 49.6 -59.2 -40.8 -5.2 -14.0 25.4 90 95 B I H ><5S+ 0 0 37 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.929 110.6 50.1 -61.4 -45.7 -6.2 -17.6 26.3 91 96 B A H 3<5S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.3 247,-0.2 0.865 104.9 56.9 -66.3 -34.4 -7.2 -18.2 22.7 92 97 B Y H 3<5S- 0 0 14 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.743 127.5-101.0 -63.5 -24.6 -3.9 -16.9 21.3 93 98 B G T <<5 + 0 0 26 -3,-1.0 -3,-0.2 -4,-0.8 -27,-0.2 0.556 56.6 171.8 116.8 18.1 -2.2 -19.5 23.5 94 99 B A < - 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