==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-MAR-08 3CLM . COMPND 2 MOLECULE: TRANSALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 352 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.5 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 46.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 0 2 1 3 1 0 2 0 1 1 0 1 0 0 1 0 1 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 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 1 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 0 A G > 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 179.8 28.5 24.4 -0.8 2 1 A X T > + 0 0 96 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.730 360.0 71.7 -55.1 -32.5 29.2 21.7 1.8 3 2 A T T 3> S+ 0 0 95 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.640 76.2 82.4 -66.3 -11.3 31.3 24.1 4.0 4 3 A I H <> S+ 0 0 13 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.848 84.5 60.1 -59.9 -28.7 28.1 25.9 4.9 5 4 A L H <> S+ 0 0 4 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.921 106.6 44.2 -67.5 -37.7 27.5 23.1 7.5 6 5 A S H > S+ 0 0 60 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.864 110.3 56.5 -74.3 -30.1 30.8 24.0 9.3 7 6 A D H X S+ 0 0 83 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.920 107.5 48.4 -63.9 -40.8 29.9 27.7 9.0 8 7 A V H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 4,-0.3 0.915 108.9 53.4 -64.8 -40.5 26.7 27.0 10.8 9 8 A K H ><5S+ 0 0 120 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.918 105.4 54.1 -57.8 -40.2 28.6 25.1 13.5 10 9 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 103.8 55.9 -67.4 -25.4 30.8 28.1 14.0 11 10 A L T 3<5S- 0 0 53 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.469 125.9-103.6 -83.5 -1.1 27.7 30.2 14.5 12 11 A G T < 5S+ 0 0 28 -3,-1.8 269,-1.5 -4,-0.3 270,-1.0 0.614 80.4 120.1 95.6 12.8 26.7 27.8 17.3 13 12 A Q E < -a 282 0A 3 -5,-2.0 2,-0.4 268,-0.2 -1,-0.3 -0.922 51.4-141.4-114.3 136.1 24.0 25.7 15.8 14 13 A Q E -a 283 0A 25 268,-2.1 270,-2.6 -2,-0.4 2,-0.6 -0.786 11.1-147.0 -85.6 133.6 24.0 21.9 15.3 15 14 A I E -a 284 0A 4 22,-0.4 24,-2.9 -2,-0.4 25,-0.3 -0.938 20.4-174.6-101.6 121.8 22.5 20.5 12.1 16 15 A W E -a 285 0A 1 268,-2.3 270,-2.8 -2,-0.6 2,-0.6 -0.774 27.4-113.5-109.1 155.4 20.8 17.2 12.6 17 16 A L E -ab 286 41A 0 23,-2.7 25,-2.6 -2,-0.3 2,-1.4 -0.824 15.9-150.4 -91.5 124.2 19.3 14.8 10.0 18 17 A D S S+ 0 0 28 268,-2.8 2,-0.3 -2,-0.6 270,-0.2 -0.477 72.1 66.7 -92.0 63.1 15.5 14.5 10.3 19 18 A N - 0 0 48 -2,-1.4 2,-0.3 23,-0.3 23,-0.2 -0.930 53.1-176.2-170.0 156.0 15.5 10.9 8.9 20 19 A L + 0 0 0 -2,-0.3 2,-0.3 27,-0.1 31,-0.1 -0.946 11.6 155.8-158.5 141.9 16.7 7.4 9.8 21 20 A S > - 0 0 22 -2,-0.3 4,-1.5 62,-0.1 5,-0.2 -0.969 50.5-107.6-159.5 163.5 16.6 4.1 8.0 22 21 A R H > S+ 0 0 85 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.898 119.5 47.9 -59.9 -45.7 18.5 0.8 8.1 23 22 A S H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 6,-0.4 0.865 102.1 62.6 -69.8 -34.8 20.2 1.5 4.7 24 23 A L H 4 S+ 0 0 13 2,-0.2 6,-2.3 1,-0.2 5,-0.4 0.920 116.3 33.1 -50.3 -44.8 21.2 5.1 5.7 25 24 A V H >< S+ 0 0 21 -4,-1.5 3,-1.8 4,-0.2 6,-0.3 0.945 119.3 48.8 -76.4 -54.0 23.3 3.4 8.4 26 25 A Q H 3< S+ 0 0 138 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.820 105.3 58.8 -63.7 -30.9 24.4 0.2 6.7 27 26 A S T 3< S- 0 0 63 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.598 111.6-116.6 -69.5 -14.2 25.5 1.9 3.5 28 27 A G S <> S+ 0 0 35 -3,-1.8 4,-1.9 -4,-0.2 5,-0.2 0.423 83.6 119.5 88.5 -3.1 28.0 4.0 5.4 29 28 A E H > S+ 0 0 108 -5,-0.4 4,-2.3 -6,-0.4 -4,-0.2 0.928 71.9 49.5 -63.0 -45.0 26.2 7.2 4.4 30 29 A L H > S+ 0 0 0 -6,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.932 109.5 52.5 -61.6 -42.8 25.4 8.2 8.0 31 30 A A H > S+ 0 0 27 -6,-0.3 4,-0.7 -7,-0.3 -1,-0.2 0.907 110.1 48.6 -58.5 -40.8 29.1 7.7 9.0 32 31 A Q H >< S+ 0 0 92 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.911 109.1 51.8 -68.5 -36.9 30.2 9.9 6.2 33 32 A X H ><>S+ 0 0 44 -4,-2.3 5,-2.1 1,-0.2 3,-1.4 0.882 103.8 58.7 -66.7 -34.4 27.7 12.7 7.0 34 33 A L H 3<5S+ 0 0 18 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.693 106.7 48.5 -66.4 -19.6 29.0 12.7 10.6 35 34 A K T <<5S+ 0 0 158 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.508 113.4 49.4 -91.5 -9.9 32.5 13.5 9.3 36 35 A Q T < 5S- 0 0 105 -3,-1.4 -2,-0.2 -4,-0.4 -31,-0.2 0.009 129.4 -65.6-132.7 29.2 31.2 16.3 7.1 37 36 A G T 5S+ 0 0 25 1,-0.4 -22,-0.4 -3,-0.3 2,-0.4 0.314 92.2 114.4 117.0 -7.9 28.9 18.5 9.2 38 37 A V < - 0 0 5 -5,-2.1 -1,-0.4 -6,-0.1 -22,-0.2 -0.831 37.4-177.3 -92.3 133.1 25.8 16.6 10.3 39 38 A C - 0 0 8 -24,-2.9 64,-2.5 -2,-0.4 65,-0.5 0.250 53.1 -2.3-117.3 4.4 25.8 16.2 14.1 40 39 A G - 0 0 0 -25,-0.3 -23,-2.7 63,-0.2 2,-0.3 -0.957 57.7-122.8 176.4 174.1 22.8 14.1 15.1 41 40 A V E -bc 17 105A 0 63,-2.4 65,-1.6 -2,-0.3 2,-0.4 -1.000 13.2-162.8-143.5 136.7 19.7 12.3 13.9 42 41 A T E + c 0 106A 0 -25,-2.6 -23,-0.3 -2,-0.3 2,-0.3 -0.954 9.1 179.2-121.6 147.9 16.0 12.4 14.8 43 42 A S + 0 0 0 63,-0.7 -24,-0.0 -2,-0.4 -2,-0.0 -0.832 4.4 173.6-128.8 170.8 13.2 9.9 14.2 44 43 A N > - 0 0 19 -2,-0.3 4,-2.2 63,-0.1 5,-0.2 -0.910 53.0 -84.0-162.4 174.9 9.5 9.8 14.9 45 44 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.831 126.4 53.2 -63.6 -30.2 6.7 7.3 13.9 46 45 A A H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 108.7 49.9 -67.7 -42.2 6.2 9.0 10.5 47 46 A I H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 113.1 46.3 -62.0 -45.2 9.8 8.7 9.6 48 47 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.881 108.2 56.0 -67.4 -36.8 9.9 5.0 10.6 49 48 A Q H X S+ 0 0 52 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.920 112.0 43.1 -59.8 -47.2 6.7 4.3 8.7 50 49 A K H X S+ 0 0 146 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.898 114.8 49.9 -66.0 -40.0 8.2 5.7 5.5 51 50 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 111.5 47.7 -60.6 -48.4 11.5 3.9 6.2 52 51 A F H < S+ 0 0 28 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 115.3 46.1 -61.6 -38.0 9.9 0.6 6.8 53 52 A A H < S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.825 123.3 32.2 -73.8 -32.0 7.8 0.9 3.6 54 53 A G H < S+ 0 0 69 -4,-1.9 2,-0.7 -5,-0.1 -2,-0.2 0.596 95.1 85.2-104.4 -19.8 10.6 2.1 1.3 55 54 A D >< - 0 0 20 -4,-2.3 3,-1.8 -5,-0.2 4,-0.3 -0.770 58.2-155.2-101.1 116.5 13.9 0.5 2.4 56 55 A A T > S+ 0 0 88 -2,-0.7 3,-1.3 1,-0.3 4,-0.5 0.738 85.2 75.2 -61.9 -23.9 14.5 -3.0 1.0 57 56 A L T 3> S+ 0 0 68 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.658 86.5 63.1 -69.2 -9.8 16.8 -3.9 3.9 58 57 A Y H <> S+ 0 0 3 -3,-1.8 4,-2.8 -7,-0.2 5,-0.3 0.736 82.2 80.3 -78.5 -22.4 13.9 -4.4 6.2 59 58 A A H <> S+ 0 0 65 -3,-1.3 4,-2.4 -4,-0.3 5,-0.2 0.914 95.7 42.2 -56.5 -47.0 12.3 -7.3 4.2 60 59 A D H > S+ 0 0 139 -4,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.853 113.2 53.6 -68.6 -34.0 14.6 -10.0 5.6 61 60 A E H X S+ 0 0 33 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.916 110.0 47.8 -65.9 -41.9 14.3 -8.6 9.1 62 61 A V H X S+ 0 0 29 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.931 110.6 51.3 -62.4 -44.3 10.5 -8.7 8.9 63 62 A A H < S+ 0 0 52 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.930 112.0 47.5 -59.8 -43.0 10.6 -12.2 7.6 64 63 A A H >< S+ 0 0 48 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.909 112.3 48.3 -61.6 -45.5 12.8 -13.3 10.4 65 64 A L H >< S+ 0 0 11 -4,-2.5 3,-1.5 1,-0.3 5,-0.2 0.788 101.9 63.5 -71.9 -26.4 10.7 -11.6 13.1 66 65 A K T 3< S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.602 94.6 62.3 -71.5 -9.8 7.5 -13.1 11.7 67 66 A R T < S+ 0 0 225 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.3 0.490 97.2 76.8 -88.2 -2.1 8.9 -16.5 12.6 68 67 A Q S < S- 0 0 96 -3,-1.5 2,-1.7 -4,-0.1 -3,-0.0 -0.771 91.5-110.8-110.3 152.5 8.9 -15.5 16.3 69 68 A N S S+ 0 0 173 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.627 70.0 133.6 -81.0 84.3 6.1 -15.2 18.8 70 69 A L - 0 0 33 -2,-1.7 -2,-0.1 -5,-0.2 0, 0.0 -0.973 57.1-116.0-135.1 145.4 6.2 -11.4 19.0 71 70 A S > - 0 0 60 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.352 35.4-109.6 -70.9 157.2 3.5 -8.7 18.9 72 71 A P H > S+ 0 0 39 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.921 121.0 55.2 -53.6 -40.6 3.6 -6.3 16.0 73 72 A K H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 108.3 47.2 -58.8 -44.7 4.7 -3.6 18.4 74 73 A Q H > S+ 0 0 93 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 109.5 53.7 -68.3 -33.1 7.7 -5.7 19.5 75 74 A R H X S+ 0 0 20 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.965 111.2 46.7 -60.8 -48.8 8.5 -6.5 15.9 76 75 A Y H X S+ 0 0 13 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.908 112.9 49.4 -51.6 -52.4 8.6 -2.7 15.2 77 76 A E H X S+ 0 0 18 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.893 107.0 53.5 -63.2 -38.9 10.7 -2.1 18.3 78 77 A T H X S+ 0 0 56 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.927 114.5 43.0 -58.4 -44.0 13.2 -4.7 17.5 79 78 A X H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.930 118.2 43.6 -63.3 -51.4 13.7 -3.1 14.1 80 79 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.917 112.5 50.7 -69.2 -44.7 13.7 0.5 15.3 81 80 A V H X S+ 0 0 11 -4,-3.1 4,-3.1 -5,-0.2 5,-0.3 0.899 109.4 52.6 -60.1 -41.0 16.0 -0.1 18.3 82 81 A A H X S+ 0 0 23 -4,-1.5 4,-2.2 -5,-0.4 -2,-0.2 0.930 110.5 47.3 -63.1 -40.5 18.5 -1.9 16.1 83 82 A D H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 115.0 46.5 -62.9 -44.3 18.5 1.1 13.7 84 83 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.923 111.5 49.7 -65.0 -46.3 18.9 3.6 16.6 85 84 A R H X S+ 0 0 89 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.934 113.1 47.4 -59.5 -44.6 21.6 1.6 18.3 86 85 A A H X S+ 0 0 38 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.904 112.2 49.2 -64.5 -40.8 23.6 1.3 15.1 87 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.894 108.2 54.9 -63.6 -39.7 23.1 5.0 14.4 88 87 A C H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.910 106.3 51.1 -58.4 -43.9 24.3 5.8 17.9 89 88 A D H >< S+ 0 0 73 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.910 109.6 50.4 -63.4 -37.7 27.5 3.8 17.3 90 89 A V H 3< S+ 0 0 40 -4,-2.0 3,-0.3 1,-0.2 4,-0.3 0.875 116.1 42.6 -61.5 -39.1 28.1 5.8 14.0 91 90 A C H 3X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.439 88.6 94.1 -85.5 -4.6 27.6 9.0 15.9 92 91 A L H S+ 0 0 74 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.934 112.3 46.2 -60.1 -42.7 32.9 9.6 18.0 94 93 A E H > S+ 0 0 28 -4,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.941 112.7 51.0 -61.3 -48.9 31.2 12.9 17.3 95 94 A H H ><>S+ 0 0 11 -4,-2.6 5,-2.8 8,-0.3 3,-0.9 0.928 112.9 44.7 -53.7 -48.7 29.4 12.7 20.7 96 95 A E H ><5S+ 0 0 106 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.864 104.3 63.8 -67.4 -33.3 32.5 12.0 22.6 97 96 A S H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.682 107.6 42.2 -67.7 -15.4 34.5 14.7 20.8 98 97 A T T <<5S- 0 0 41 -3,-0.9 3,-0.3 -4,-0.8 -1,-0.3 0.133 122.2-100.0-113.6 19.3 32.2 17.4 22.3 99 98 A G T < 5S- 0 0 43 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.839 81.8 -53.4 67.0 29.4 32.0 15.9 25.8 100 99 A G S - 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