==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-APR-99 1QAZ . COMPND 2 MOLECULE: PROTEIN (ALGINATE LYASE A1-III); . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP.; . AUTHOR H.-J.YOON . 351 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 1 1 0 0 1 1 0 0 1 0 2 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 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 0 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 4 A G 0 0 104 0, 0.0 211,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -44.6 3.4 6.8 38.3 2 5 A S + 0 0 110 1,-0.3 0, 0.0 4,-0.0 0, 0.0 0.942 360.0 116.3 78.2 79.2 6.5 4.6 39.1 3 6 A H S > S- 0 0 27 215,-0.0 3,-2.2 216,-0.0 -1,-0.3 -0.941 80.0 -87.0-154.7 157.9 9.2 5.2 36.7 4 7 A P T 3 S+ 0 0 84 0, 0.0 3,-0.2 0, 0.0 211,-0.0 0.610 124.7 46.0 -44.2 -20.8 12.8 6.6 37.1 5 8 A F T > S+ 0 0 36 1,-0.1 3,-1.7 206,-0.1 209,-0.1 0.111 73.6 114.2-114.9 19.8 11.7 10.2 36.8 6 9 A D T < S+ 0 0 57 -3,-2.2 -1,-0.1 1,-0.3 205,-0.1 0.372 79.2 49.1 -75.1 5.4 8.7 10.2 39.0 7 10 A Q T 3 S+ 0 0 148 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.295 83.7 134.4-118.4 7.7 10.3 12.6 41.5 8 11 A A < - 0 0 14 -3,-1.7 2,-0.3 1,-0.1 203,-0.2 -0.049 40.5-151.4 -56.1 150.8 11.3 15.1 38.8 9 12 A V - 0 0 78 252,-0.2 2,-0.8 201,-0.1 -1,-0.1 -0.915 19.0-117.4-128.4 153.4 10.7 18.8 39.4 10 13 A V - 0 0 9 -2,-0.3 197,-0.1 1,-0.2 251,-0.0 -0.838 32.0-179.4 -89.0 115.3 10.0 21.8 37.1 11 14 A K + 0 0 150 -2,-0.8 -1,-0.2 1,-0.3 250,-0.1 0.887 68.2 14.7 -82.1 -45.6 12.9 24.1 37.8 12 15 A D > - 0 0 58 1,-0.1 3,-1.6 248,-0.1 -1,-0.3 -0.868 53.0-164.2-139.7 107.1 12.0 26.9 35.5 13 16 A P T 3 S+ 0 0 31 0, 0.0 3,-0.2 0, 0.0 138,-0.1 0.592 94.4 55.5 -55.3 -14.2 8.6 27.6 33.9 14 17 A T T 3 S+ 0 0 59 1,-0.1 138,-0.2 137,-0.1 137,-0.1 0.370 78.2 95.3-103.0 2.2 10.2 30.1 31.4 15 18 A A < - 0 0 2 -3,-1.6 3,-0.4 1,-0.1 5,-0.2 0.780 63.9-175.8 -63.5 -30.8 12.8 27.7 30.0 16 19 A S - 0 0 0 -4,-0.3 244,-0.2 -3,-0.2 -1,-0.1 -0.240 47.9 -70.5 64.0-155.4 10.7 26.7 27.0 17 20 A Y S S+ 0 0 3 128,-0.2 2,-0.3 242,-0.1 -1,-0.2 0.259 117.9 31.9-115.0 3.5 11.9 23.9 24.6 18 21 A V S S- 0 0 15 -3,-0.4 2,-1.1 239,-0.1 330,-0.1 -0.926 94.1 -96.5-149.2 166.7 14.6 26.1 23.1 19 22 A D > - 0 0 68 -2,-0.3 4,-2.6 328,-0.2 5,-0.3 -0.816 40.1-171.1 -93.3 100.6 16.9 28.9 24.4 20 23 A V H > S+ 0 0 21 -2,-1.1 4,-2.4 -5,-0.2 5,-0.2 0.920 78.5 46.4 -58.3 -54.1 14.9 31.9 23.2 21 24 A K H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 116.7 44.9 -55.0 -52.4 17.5 34.6 24.0 22 25 A A H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.864 114.0 46.3 -63.0 -45.8 20.4 32.7 22.4 23 26 A R H X S+ 0 0 25 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.916 112.0 52.3 -66.7 -41.2 18.6 31.6 19.2 24 27 A R H X S+ 0 0 24 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.914 107.9 52.8 -56.5 -45.5 17.1 35.1 18.6 25 28 A T H X S+ 0 0 78 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.867 109.4 47.1 -59.5 -42.9 20.6 36.5 18.9 26 29 A F H < S+ 0 0 61 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.903 110.8 52.7 -67.9 -39.1 22.1 34.2 16.3 27 30 A L H < S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 117.5 37.3 -65.0 -33.5 19.2 34.9 13.9 28 31 A Q H < S+ 0 0 118 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.937 130.1 26.9 -82.2 -47.7 19.7 38.6 14.2 29 32 A S S < S+ 0 0 95 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.988 102.8 76.6 -79.0 -66.3 23.6 38.7 14.3 30 33 A G S S- 0 0 34 -4,-0.5 2,-0.8 -5,-0.4 -4,-0.0 0.493 84.9 -93.7 -45.6 175.7 25.1 35.7 12.6 31 34 A Q - 0 0 189 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.898 42.1-159.6-104.8 104.5 25.6 34.7 9.0 32 35 A L - 0 0 40 -2,-0.8 2,-0.1 -5,-0.1 318,-0.0 -0.654 8.4-136.4 -84.7 139.4 22.7 32.6 8.0 33 36 A D > - 0 0 49 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.308 37.7 -85.7 -88.4-178.8 23.0 30.3 5.1 34 37 A D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.852 127.4 55.1 -54.7 -33.6 20.3 29.9 2.3 35 38 A R H > S+ 0 0 21 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.930 111.2 41.2 -67.5 -49.2 18.5 27.3 4.4 36 39 A L H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 3,-0.5 0.860 111.4 56.8 -69.1 -34.6 18.1 29.5 7.4 37 40 A K H >< S+ 0 0 116 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.953 108.0 49.1 -57.5 -48.9 17.2 32.6 5.2 38 41 A A H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.662 108.0 54.2 -65.3 -21.1 14.4 30.6 3.7 39 42 A A H 3< S+ 0 0 12 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.529 78.2 114.7 -92.1 -7.7 13.1 29.5 7.1 40 43 A L S << S- 0 0 72 -3,-1.3 2,-0.1 -4,-0.7 57,-0.1 -0.490 71.9-118.0 -67.3 127.1 12.8 33.1 8.5 41 44 A P - 0 0 36 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.360 21.9-116.0 -73.3 144.7 9.1 33.9 9.1 42 45 A K - 0 0 169 -2,-0.1 2,-0.1 1,-0.1 55,-0.1 -0.678 29.1-128.0 -80.8 124.7 7.4 36.7 7.2 43 46 A E + 0 0 85 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 -0.387 34.4 166.0 -72.9 150.5 6.2 39.5 9.4 44 47 A Y - 0 0 70 -2,-0.1 2,-1.5 0, 0.0 3,-0.1 -0.970 46.9 -93.1-155.3 161.9 2.6 40.8 9.2 45 48 A D > + 0 0 85 -2,-0.3 3,-1.1 1,-0.2 4,-0.1 -0.643 42.2 172.5 -87.4 89.4 0.3 43.0 11.3 46 49 A a G > + 0 0 9 -2,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.668 64.2 77.6 -70.0 -15.7 -1.4 40.5 13.4 47 50 A T G 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.677 99.9 38.9 -71.8 -19.7 -3.2 43.2 15.5 48 51 A T G < S+ 0 0 110 -3,-1.1 2,-0.5 2,-0.1 -1,-0.3 0.196 100.2 92.5-111.3 14.9 -5.8 43.9 12.9 49 52 A E < - 0 0 120 -3,-1.2 2,-0.1 -4,-0.1 0, 0.0 -0.931 67.3-139.8-115.8 126.7 -6.3 40.2 11.8 50 53 A A - 0 0 103 -2,-0.5 3,-0.1 1,-0.0 -2,-0.1 -0.442 16.8-150.3 -79.8 151.4 -9.0 38.0 13.4 51 54 A T - 0 0 28 1,-0.2 36,-0.1 -2,-0.1 -1,-0.0 -0.762 34.3 -62.3-116.7 167.8 -8.3 34.4 14.2 52 55 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 31,-0.0 -0.055 50.8-134.4 -46.3 143.5 -10.4 31.1 14.4 53 56 A N - 0 0 105 -3,-0.1 2,-0.1 1,-0.1 34,-0.1 -0.787 22.9-102.4-103.4 148.0 -13.2 31.1 17.0 54 57 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.398 35.0-107.3 -67.1 145.4 -13.9 28.2 19.4 55 58 A Q - 0 0 57 -2,-0.1 2,-0.3 1,-0.1 25,-0.0 -0.532 41.4-125.0 -67.5 131.6 -16.7 25.7 18.7 56 59 A Q - 0 0 142 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.651 69.0 -6.4 -90.8 140.5 -19.4 26.6 21.3 57 60 A G S S+ 0 0 52 -2,-0.3 68,-0.3 63,-0.3 2,-0.1 -0.660 121.5 16.2 86.5-131.1 -20.7 23.9 23.6 58 61 A E S S- 0 0 116 -2,-0.4 2,-0.8 66,-0.1 68,-0.2 -0.393 74.5-125.3 -77.0 150.3 -19.5 20.3 23.0 59 62 A M + 0 0 8 66,-2.5 68,-0.5 -2,-0.1 2,-0.4 -0.893 37.1 173.4 -96.9 113.2 -16.5 19.7 20.8 60 63 A V - 0 0 78 -2,-0.8 66,-0.0 66,-0.1 -5,-0.0 -0.990 21.3-160.4-125.6 129.4 -17.6 17.2 18.1 61 64 A I - 0 0 18 -2,-0.4 70,-0.3 19,-0.0 71,-0.1 -0.963 29.1-128.2-106.3 116.6 -15.3 16.3 15.2 62 65 A P - 0 0 25 0, 0.0 19,-0.1 0, 0.0 2,-0.1 -0.230 28.0 -97.7 -64.0 153.3 -17.6 14.9 12.4 63 66 A R - 0 0 183 1,-0.1 14,-0.2 2,-0.1 13,-0.1 -0.392 26.4-128.4 -67.9 154.1 -16.8 11.5 10.8 64 67 A R S S+ 0 0 138 4,-0.1 10,-2.6 9,-0.1 2,-0.3 0.859 90.0 41.9 -73.5 -32.4 -15.0 11.7 7.6 65 68 A Y B S-A 73 0A 47 3,-0.4 8,-0.2 8,-0.3 3,-0.2 -0.862 78.0-127.1-118.4 150.1 -17.4 9.4 5.7 66 69 A L S S+ 0 0 109 6,-1.8 2,-0.3 -2,-0.3 7,-0.1 0.882 101.8 10.1 -58.2 -34.8 -21.2 9.2 5.8 67 70 A S S > S- 0 0 95 5,-0.5 3,-0.6 3,-0.3 -1,-0.2 -0.992 115.1 -24.3-150.8 132.4 -20.7 5.4 6.5 68 71 A G T 3 S- 0 0 50 -2,-0.3 -3,-0.4 1,-0.2 -4,-0.1 -0.248 95.8 -46.3 74.1-156.7 -17.7 3.3 7.5 69 72 A N T 3 S+ 0 0 130 -5,-0.1 2,-0.2 -2,-0.0 -1,-0.2 0.355 117.0 13.2 -96.1 -1.7 -14.1 3.8 6.9 70 73 A H S < S+ 0 0 120 -3,-0.6 -3,-0.3 2,-0.1 -5,-0.0 -0.887 86.0 56.2-159.3-174.7 -14.3 4.7 3.2 71 74 A G S S+ 0 0 44 -2,-0.2 -3,-0.0 -5,-0.1 0, 0.0 -0.548 87.9 31.9 84.6-143.5 -16.7 5.8 0.3 72 75 A P S S- 0 0 90 0, 0.0 -6,-1.8 0, 0.0 -5,-0.5 -0.189 80.5-128.6 -55.6 133.4 -19.1 8.8 0.2 73 76 A V B -A 65 0A 91 -8,-0.2 -8,-0.3 -7,-0.1 -9,-0.1 -0.589 6.5-122.0 -94.9 151.9 -17.7 11.8 2.2 74 77 A N > - 0 0 30 -10,-2.6 3,-1.7 -2,-0.2 4,-0.5 -0.797 15.3-151.6 -86.1 117.6 -19.3 13.8 4.9 75 78 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.619 92.4 64.8 -66.3 -12.4 -19.3 17.6 3.9 76 79 A D T 3> S+ 0 0 100 -13,-0.1 4,-0.8 1,-0.1 -12,-0.1 0.661 87.2 72.4 -82.3 -19.8 -19.3 18.6 7.5 77 80 A Y H X> S+ 0 0 48 -3,-1.7 4,-2.0 -14,-0.2 3,-0.7 0.959 91.1 51.0 -63.9 -56.2 -15.9 17.1 8.1 78 81 A E H 3> S+ 0 0 123 -4,-0.5 4,-2.0 1,-0.2 5,-0.2 0.847 106.0 52.3 -57.4 -42.4 -13.6 19.6 6.2 79 82 A P H 3> S+ 0 0 83 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.820 112.7 46.6 -65.0 -26.9 -14.8 22.9 7.8 80 83 A V H XX S+ 0 0 28 -4,-0.8 4,-1.1 -3,-0.7 3,-0.7 0.954 113.8 44.0 -80.5 -48.4 -14.4 21.6 11.3 81 84 A V H 3X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 3,-0.3 0.867 109.0 59.3 -66.3 -28.2 -10.9 20.1 10.9 82 85 A T H 3X S+ 0 0 67 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.815 99.8 58.4 -66.8 -26.3 -9.8 23.3 9.0 83 86 A L H - 0 0 93 -6,-0.4 3,-1.0 1,-0.1 4,-0.5 -0.652 47.7-144.5 -80.9 124.7 8.7 42.0 19.2 104 107 A P T 3> S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.658 89.5 79.8 -60.8 -18.0 6.1 41.9 21.9 105 108 A V H 3> S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 90.3 52.3 -58.6 -41.5 3.3 42.5 19.3 106 109 A Y H <> S+ 0 0 7 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.816 109.0 50.3 -66.7 -27.3 3.3 38.8 18.3 107 110 A A H > S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.5 -1,-0.2 0.897 108.9 50.6 -74.4 -39.9 2.9 37.8 21.9 108 111 A T H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 110.8 50.7 -63.1 -41.8 -0.1 40.2 22.4 109 112 A a H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.950 111.0 47.5 -63.7 -46.5 -1.7 38.7 19.3 110 113 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.910 113.0 48.8 -62.8 -40.6 -1.2 35.0 20.5 111 114 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.861 108.2 53.5 -66.7 -33.5 -2.6 35.9 23.9 112 115 A N H X S+ 0 0 83 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.921 113.1 44.5 -66.4 -42.2 -5.7 37.7 22.4 113 116 A M H X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.2 3,-0.5 0.942 115.9 45.1 -66.7 -49.6 -6.4 34.5 20.4 114 117 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.811 106.0 60.3 -69.6 -25.8 -5.8 32.1 23.2 115 118 A D H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.869 101.4 54.7 -69.0 -32.4 -7.8 34.2 25.7 116 119 A K H X S+ 0 0 52 -4,-1.1 4,-1.2 -3,-0.5 -1,-0.2 0.915 110.6 46.0 -64.0 -40.3 -10.9 33.8 23.4 117 120 A W H <>S+ 0 0 0 -4,-1.2 5,-2.4 1,-0.2 -2,-0.2 0.842 113.0 49.6 -71.3 -32.3 -10.5 30.0 23.6 118 121 A A H ><5S+ 0 0 9 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.909 108.7 50.9 -71.1 -44.8 -10.0 30.0 27.4 119 122 A K H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.8 51.5 -63.4 -26.7 -13.1 32.2 28.1 120 123 A A T 3<5S- 0 0 21 -4,-1.2 -63,-0.3 -5,-0.2 -1,-0.3 0.302 110.5-122.3 -93.0 7.6 -15.1 29.8 26.0 121 124 A D T X 5 - 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