==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-JUN-10 3NDO . COMPND 2 MOLECULE: DEOXYRIBOSE-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SSGCID,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DIS . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 0 4 1 4 1 2 0 2 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 10 4 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A D 0 0 134 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.8 -1.5 -2.2 65.7 2 4 A H - 0 0 52 220,-0.1 2,-0.2 4,-0.0 198,-0.0 -0.988 360.0-158.2-131.7 118.5 0.3 0.8 64.0 3 5 A T > - 0 0 71 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.658 31.2-114.9 -86.5 160.4 -0.8 4.4 64.1 4 6 A R H > S+ 0 0 22 218,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.904 117.8 52.0 -55.6 -48.2 0.4 6.9 61.5 5 7 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 108.5 50.3 -58.6 -40.6 2.2 8.8 64.2 6 8 A Q H 4 S+ 0 0 103 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.894 112.9 45.8 -65.2 -41.5 4.0 5.7 65.4 7 9 A V H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 4,-0.2 0.946 109.9 53.4 -67.5 -44.4 5.1 4.8 61.9 8 10 A A H >< S+ 0 0 6 -4,-2.9 3,-1.7 1,-0.3 30,-1.3 0.876 100.5 63.0 -56.7 -38.9 6.3 8.3 61.1 9 11 A A T 3< S+ 0 0 60 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.549 108.8 41.3 -64.6 -8.0 8.4 8.3 64.3 10 12 A L T < S+ 0 0 39 -3,-2.2 200,-2.5 -4,-0.2 2,-0.4 0.219 92.0 110.3-123.6 15.3 10.4 5.5 62.8 11 13 A V E < -a 210 0A 0 -3,-1.7 28,-1.9 -4,-0.2 27,-0.9 -0.784 48.9-159.8 -96.0 135.0 10.8 6.6 59.2 12 14 A D E -ab 211 39A 0 198,-2.9 200,-2.3 -2,-0.4 2,-0.5 -0.953 19.5-147.8-101.9 109.7 13.9 7.8 57.5 13 15 A H E -ab 212 40A 10 26,-2.8 28,-2.0 -2,-0.6 2,-0.3 -0.710 27.8-163.6 -87.9 122.6 12.7 9.8 54.4 14 16 A T E + b 0 41A 20 198,-2.5 2,-0.3 -2,-0.5 28,-0.2 -0.864 35.0 175.0-128.9 142.9 15.3 9.3 51.8 15 17 A L + 0 0 32 26,-2.1 28,-0.4 -2,-0.3 -2,-0.0 -0.941 19.6 150.8-140.9 118.8 16.7 10.6 48.5 16 18 A L + 0 0 18 -2,-0.3 280,-0.1 26,-0.2 26,-0.1 0.176 20.4 139.1-133.5 14.0 19.9 8.9 47.1 17 19 A K > - 0 0 117 1,-0.1 3,-2.1 2,-0.1 26,-0.1 -0.321 58.0-126.7 -64.8 143.1 19.6 9.2 43.3 18 20 A P T 3 S+ 0 0 15 0, 0.0 306,-1.3 0, 0.0 305,-0.2 0.845 110.1 54.5 -55.7 -31.9 22.9 10.1 41.6 19 21 A E T 3 S+ 0 0 28 304,-0.2 -2,-0.1 305,-0.1 303,-0.0 0.385 78.4 132.8 -87.7 6.3 21.2 12.9 39.8 20 22 A A < - 0 0 2 -3,-2.1 304,-0.2 4,-0.1 308,-0.1 -0.287 39.6-158.9 -62.4 139.0 19.9 14.5 43.1 21 23 A T > - 0 0 14 306,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.674 32.7-101.7-108.6 168.2 20.4 18.3 43.3 22 24 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 123.6 51.9 -55.7 -41.0 20.5 20.6 46.3 23 25 A S H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.851 104.4 56.1 -68.1 -33.7 17.0 21.8 45.5 24 26 A D H > S+ 0 0 70 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.893 109.8 47.1 -60.5 -37.9 15.8 18.2 45.4 25 27 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.887 107.7 53.6 -72.7 -39.0 17.2 17.8 48.9 26 28 A T H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 111.0 47.9 -59.5 -41.9 15.6 21.0 50.2 27 29 A A H X S+ 0 0 60 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 109.8 53.6 -63.1 -42.6 12.2 19.7 48.9 28 30 A L H X S+ 0 0 15 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.913 108.5 48.7 -56.9 -45.5 12.9 16.4 50.6 29 31 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.907 110.0 51.1 -64.1 -44.1 13.6 18.0 53.9 30 32 A D H X S+ 0 0 118 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.902 111.7 48.1 -59.5 -43.0 10.4 20.1 53.7 31 33 A E H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 110.7 50.8 -62.9 -45.6 8.4 17.0 52.9 32 34 A A H X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 4,-0.9 0.919 111.2 49.0 -58.1 -42.2 10.0 15.1 55.9 33 35 A A H ><5S+ 0 0 44 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.917 110.7 49.7 -62.3 -47.9 9.1 18.0 58.2 34 36 A D H 3<5S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.7 47.8 -61.3 -37.8 5.5 18.1 57.0 35 37 A L H 3<5S- 0 0 12 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.593 105.4-128.8 -79.0 -14.1 5.2 14.3 57.5 36 38 A G T <<5 + 0 0 51 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.826 47.3 166.2 70.8 31.4 6.7 14.5 61.0 37 39 A V < - 0 0 12 -5,-1.7 -28,-0.2 1,-0.1 -1,-0.1 -0.257 45.1-118.3 -77.7 166.7 9.2 11.7 60.3 38 40 A F S S- 0 0 77 -30,-1.3 21,-2.3 -27,-0.9 2,-0.3 0.880 82.1 -7.3 -71.4 -42.8 12.3 10.8 62.4 39 41 A A E -bc 12 59A 0 -28,-1.9 -26,-2.8 19,-0.2 2,-0.4 -0.966 51.4-131.7-149.8 159.9 15.0 11.5 59.9 40 42 A V E -bc 13 60A 0 19,-2.3 21,-3.0 -2,-0.3 2,-0.4 -0.924 22.4-152.1-111.3 150.7 16.0 12.4 56.4 41 43 A C E +bc 14 61A 0 -28,-2.0 -26,-2.1 -2,-0.4 2,-0.3 -0.994 24.2 158.5-126.4 126.6 18.7 10.4 54.6 42 44 A V E - c 0 62A 0 19,-2.2 21,-1.4 -2,-0.4 -26,-0.2 -0.849 42.2 -83.5-140.0 171.6 20.9 11.9 51.9 43 45 A S >> - 0 0 4 -28,-0.4 3,-2.3 -2,-0.3 4,-0.6 -0.434 48.5-102.3 -77.7 155.9 24.2 11.4 50.1 44 46 A P G >4 S+ 0 0 11 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.815 118.1 51.4 -52.1 -41.8 27.4 12.8 51.6 45 47 A P G 34 S+ 0 0 32 0, 0.0 4,-0.2 0, 0.0 252,-0.1 0.556 111.6 50.5 -73.4 -7.3 27.8 15.8 49.5 46 48 A L G <> S+ 0 0 8 -3,-2.3 4,-2.3 2,-0.1 5,-0.2 0.369 80.3 94.5-107.9 -1.2 24.2 16.9 50.2 47 49 A V H S+ 0 0 71 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.879 108.6 51.9 -65.7 -33.5 25.2 20.3 54.5 49 51 A V H > S+ 0 0 39 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.959 112.7 45.6 -63.3 -46.5 22.2 21.3 52.3 50 52 A A H >X S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-1.3 0.937 113.1 49.2 -61.0 -46.0 19.9 19.1 54.3 51 53 A A H 3< S+ 0 0 39 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.820 103.2 62.6 -63.7 -30.5 21.3 20.4 57.6 52 54 A G H 3< S+ 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.627 117.5 26.0 -71.4 -16.3 20.9 24.0 56.5 53 55 A V H << S+ 0 0 75 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.367 89.5 119.9-123.4 -2.9 17.1 23.7 56.2 54 56 A A < - 0 0 26 -4,-1.3 3,-0.1 -5,-0.2 -24,-0.1 -0.436 58.2-132.3 -70.5 131.7 16.2 20.9 58.7 55 57 A P > - 0 0 56 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.315 41.7 -67.6 -74.0 166.7 13.9 22.0 61.4 56 58 A S T 3 S+ 0 0 125 1,-0.2 3,-0.1 -2,-0.0 0, 0.0 -0.192 120.3 21.9 -50.0 136.6 14.5 21.3 65.1 57 59 A G T 3 S+ 0 0 83 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.114 86.7 123.0 94.1 -21.4 14.2 17.7 65.9 58 60 A L < - 0 0 23 -3,-1.9 -1,-0.2 -19,-0.1 -19,-0.2 -0.654 53.4-142.6 -80.7 121.2 14.8 16.2 62.5 59 61 A A E -c 39 0A 14 -21,-2.3 -19,-2.3 -2,-0.5 2,-0.5 -0.459 7.6-141.5 -76.8 153.1 17.7 13.7 62.4 60 62 A I E -c 40 0A 9 27,-0.2 29,-2.8 -21,-0.2 30,-1.6 -0.975 15.2-170.2-120.3 118.1 20.1 13.6 59.4 61 63 A A E -cd 41 90A 0 -21,-3.0 -19,-2.2 -2,-0.5 2,-0.4 -0.885 2.2-165.9-104.1 139.1 21.4 10.3 58.2 62 64 A A E -cd 42 91A 0 28,-2.2 30,-2.4 -2,-0.4 2,-0.2 -0.957 17.3-127.7-119.4 143.5 24.2 10.1 55.6 63 65 A V E - d 0 92A 3 -21,-1.4 2,-0.4 -2,-0.4 30,-0.2 -0.581 21.4-161.0 -83.7 153.6 25.2 7.0 53.6 64 66 A A E S+ d 0 93A 0 28,-2.2 30,-1.7 -2,-0.2 12,-0.1 -0.999 71.5 6.0-137.1 138.6 28.8 5.8 53.5 65 67 A G S > S- 0 0 0 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.794 103.2-155.2 63.8 30.3 30.5 3.5 51.1 66 68 A F T 4 - 0 0 7 1,-0.2 228,-0.2 2,-0.2 -1,-0.2 -0.753 42.1 -12.7-114.8 141.9 27.2 3.6 49.2 67 69 A P T 4 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 96,-0.1 -0.999 131.7 38.1 -94.4 -7.7 25.8 1.9 47.3 68 70 A S T 4 S- 0 0 10 224,-0.2 29,-0.4 1,-0.1 -2,-0.2 0.736 76.1-143.9 -78.7 -26.6 28.4 -0.6 46.3 69 71 A G < + 0 0 0 -4,-2.3 2,-1.5 1,-0.1 -3,-0.1 0.408 62.6 126.1 74.3 -3.8 30.3 -1.2 49.5 70 72 A K + 0 0 5 222,-0.2 2,-0.3 -5,-0.1 222,-0.2 -0.533 36.9 105.6 -94.8 70.5 33.4 -1.4 47.4 71 73 A H S S- 0 0 3 -2,-1.5 219,-0.0 199,-0.1 198,-0.0 -0.980 75.3-104.9-141.0 145.3 35.6 1.1 49.1 72 74 A V >> - 0 0 38 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.333 36.9-107.0 -72.1 159.8 38.5 0.5 51.4 73 75 A P H 3> S+ 0 0 52 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 117.5 57.6 -56.8 -41.0 38.0 1.0 55.2 74 76 A G H 3> S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.881 109.2 46.8 -60.0 -34.3 39.9 4.2 55.4 75 77 A I H <> S+ 0 0 2 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.936 111.8 48.9 -75.3 -45.0 37.7 5.8 52.7 76 78 A K H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.907 114.4 46.7 -58.2 -45.7 34.4 4.6 54.3 77 79 A A H X S+ 0 0 10 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.921 113.5 46.5 -64.4 -46.0 35.6 5.9 57.7 78 80 A T H X S+ 0 0 59 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.908 111.5 52.7 -66.0 -38.4 36.8 9.3 56.4 79 81 A E H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.925 110.6 47.9 -59.8 -44.7 33.5 9.7 54.4 80 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.921 110.8 50.5 -60.5 -46.6 31.5 9.0 57.5 81 83 A E H X S+ 0 0 100 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 110.7 49.2 -59.4 -45.7 33.6 11.5 59.6 82 84 A L H X S+ 0 0 78 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.896 109.4 52.3 -61.2 -40.3 33.2 14.2 57.0 83 85 A A H <>S+ 0 0 3 -4,-2.0 5,-2.5 2,-0.2 4,-0.5 0.902 108.7 49.7 -67.6 -40.3 29.4 13.7 56.8 84 86 A V H ><5S+ 0 0 54 -4,-2.3 3,-1.5 3,-0.2 -1,-0.2 0.927 109.2 52.5 -60.8 -44.1 29.2 14.0 60.6 85 87 A A H 3<5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.851 107.5 53.3 -59.2 -29.7 31.2 17.2 60.3 86 88 A A T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.532 136.8 -80.9 -82.1 -10.1 28.7 18.4 57.7 87 89 A G T < 5S+ 0 0 29 -3,-1.5 -3,-0.2 -4,-0.5 -27,-0.2 0.401 79.2 142.0 127.6 -4.7 25.7 17.8 60.1 88 90 A A < - 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