==== 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 02-OCT-07 2ZAA . COMPND 2 MOLECULE: ALGINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP.; . AUTHOR K.OGURA,M.YAMASAKI,B.MIKAMI,W.HASHIMOTO,K.MURATA . 232 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 68.5 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 . 104 44.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 1 0.4 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 . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 1 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 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 2 1 2 2 3 1 2 0 0 1 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 1 0 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 81 A P 0 0 187 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 163.9 -19.1 -21.3 -18.0 2 82 A A - 0 0 62 40,-0.2 2,-0.1 1,-0.1 40,-0.1 -0.306 360.0 -97.2 -63.0 151.1 -15.6 -19.9 -17.7 3 83 A A - 0 0 54 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.491 47.1-103.6 -64.2 140.2 -13.5 -20.6 -14.6 4 84 A A > - 0 0 14 -2,-0.1 3,-2.0 1,-0.1 32,-0.1 -0.306 36.7-104.9 -61.1 150.6 -13.8 -17.7 -12.1 5 85 A P G >> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-1.2 0.860 121.7 48.6 -51.0 -42.0 -10.6 -15.5 -12.2 6 86 A G G 34 S+ 0 0 9 29,-0.5 5,-0.4 25,-0.3 30,-0.1 0.501 107.0 56.5 -79.4 -5.9 -9.3 -16.9 -8.9 7 87 A K G <4 S+ 0 0 136 -3,-2.0 -1,-0.3 28,-0.1 3,-0.1 0.043 122.3 28.0-102.5 21.2 -9.9 -20.5 -10.1 8 88 A N T <4 S+ 0 0 96 -3,-1.2 -2,-0.2 1,-0.7 -4,-0.1 0.322 118.8 49.0-140.8 -77.9 -7.6 -19.6 -13.1 9 89 A F S < S- 0 0 29 -4,-2.1 2,-1.0 -5,-0.1 -1,-0.7 -0.369 92.8-111.9 -59.4 147.4 -5.1 -16.9 -12.1 10 90 A D + 0 0 125 1,-0.1 3,-0.3 -3,-0.1 -4,-0.1 -0.801 45.1 167.8 -81.6 103.9 -3.3 -17.7 -8.8 11 91 A L > + 0 0 4 -2,-1.0 3,-1.7 -5,-0.4 21,-0.2 0.037 33.3 122.0-106.9 26.1 -4.8 -14.9 -6.6 12 92 A S T 3 S+ 0 0 45 1,-0.3 -1,-0.2 19,-0.1 16,-0.1 0.610 79.5 43.5 -68.1 -12.9 -3.4 -16.3 -3.3 13 93 A H T 3 S+ 0 0 91 -3,-0.3 59,-2.5 15,-0.1 2,-0.3 -0.084 105.3 72.7-124.0 37.8 -1.6 -13.1 -2.7 14 94 A W E < -A 71 0A 15 -3,-1.7 2,-0.3 57,-0.3 57,-0.2 -0.981 55.8-159.0-138.8 151.7 -4.2 -10.6 -3.7 15 95 A K E -A 70 0A 25 55,-2.0 55,-2.6 -2,-0.3 2,-0.5 -0.890 23.9-124.1-120.6 162.1 -7.5 -9.3 -2.2 16 96 A L E -AB 69 26A 0 10,-2.7 10,-2.9 -2,-0.3 2,-0.5 -0.933 13.6-157.9-114.2 124.8 -10.2 -7.7 -4.2 17 97 A Q E -AB 68 25A 21 51,-3.0 51,-2.3 -2,-0.5 8,-0.2 -0.881 20.2-157.0 -99.1 125.5 -11.6 -4.2 -3.3 18 98 A L - 0 0 7 6,-2.2 49,-0.2 -2,-0.5 48,-0.1 -0.619 24.6-134.1-108.7 160.8 -15.1 -3.6 -4.8 19 99 A P + 0 0 2 0, 0.0 38,-1.7 0, 0.0 48,-0.1 0.048 62.4 125.5 -99.5 21.9 -17.3 -0.6 -5.7 20 100 A D S > S- 0 0 32 36,-0.2 3,-2.1 4,-0.2 37,-0.1 -0.230 82.7 -90.6 -69.0 171.3 -20.5 -1.8 -4.1 21 101 A A T 3 S+ 0 0 93 1,-0.3 37,-0.2 2,-0.1 -1,-0.1 0.876 130.0 40.7 -51.2 -41.9 -22.3 0.4 -1.5 22 102 A N T 3 S- 0 0 136 35,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.301 106.3-124.1 -90.9 4.8 -20.3 -1.1 1.3 23 103 A T < - 0 0 43 -3,-2.1 -2,-0.1 1,-0.1 33,-0.0 0.925 40.5-158.2 43.9 54.3 -17.0 -1.2 -0.5 24 104 A T - 0 0 50 -7,-0.1 -6,-2.2 1,-0.1 2,-0.4 -0.248 6.6-145.8 -58.7 143.1 -16.8 -5.0 0.2 25 105 A E E -B 17 0A 87 -8,-0.2 2,-0.6 -3,-0.1 -8,-0.2 -0.947 2.3-147.1-115.5 138.5 -13.5 -6.7 0.1 26 106 A I E -B 16 0A 18 -10,-2.9 -10,-2.7 -2,-0.4 5,-0.0 -0.917 21.7-129.2-106.2 121.2 -13.0 -10.3 -1.1 27 107 A S > - 0 0 47 -2,-0.6 4,-2.6 -12,-0.2 5,-0.2 -0.174 21.7-108.7 -64.8 158.2 -10.3 -12.2 0.7 28 108 A S H > S+ 0 0 11 47,-0.4 4,-2.4 1,-0.2 5,-0.2 0.903 120.7 49.4 -49.3 -47.9 -7.5 -14.2 -1.1 29 109 A A H > S+ 0 0 65 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.893 109.9 50.2 -64.3 -42.0 -9.1 -17.5 -0.0 30 110 A N H 4>S+ 0 0 91 2,-0.2 5,-1.8 1,-0.2 -1,-0.2 0.869 109.4 51.7 -66.4 -35.1 -12.6 -16.4 -1.3 31 111 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -25,-0.3 0.946 109.9 49.9 -59.5 -47.1 -11.0 -15.4 -4.6 32 112 A G H 3<5S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.740 104.9 58.3 -65.4 -23.8 -9.4 -18.9 -4.8 33 113 A L T 3<5S- 0 0 134 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.403 131.1 -89.7 -86.1 1.3 -12.8 -20.5 -4.0 34 114 A G T < 5 - 0 0 18 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.674 54.1-179.2 107.7 21.6 -14.3 -18.8 -7.1 35 115 A Y < + 0 0 54 -5,-1.8 -29,-0.5 -31,-0.1 2,-0.3 -0.272 16.2 156.7 -51.5 129.7 -15.6 -15.4 -6.2 36 116 A T + 0 0 72 -32,-0.1 2,-0.3 -31,-0.1 5,-0.2 -0.970 4.0 149.4-155.3 144.7 -17.1 -13.7 -9.3 37 117 A S B > -J 40 0B 34 3,-2.3 3,-1.4 -2,-0.3 -2,-0.0 -0.888 65.3 -70.5-154.5-175.7 -19.8 -11.0 -9.8 38 118 A Q T 3 S+ 0 0 123 -2,-0.3 3,-0.1 1,-0.2 13,-0.1 0.760 132.7 50.8 -55.5 -25.2 -20.8 -8.2 -12.2 39 119 A Y T 3 S+ 0 0 37 1,-0.3 12,-1.6 11,-0.1 2,-0.3 0.605 120.8 26.0 -87.1 -14.5 -17.6 -6.4 -10.8 40 120 A F E < S+JK 37 50B 0 -3,-1.4 -3,-2.3 10,-0.2 2,-0.3 -0.869 77.3 134.2-161.9 109.3 -15.1 -9.2 -11.4 41 121 A Y E - K 0 49B 56 8,-2.1 8,-3.0 -2,-0.3 2,-0.7 -0.982 53.4-100.5-158.0 160.6 -15.4 -12.0 -13.9 42 122 A T E - K 0 48B 24 -2,-0.3 -40,-0.2 6,-0.2 6,-0.2 -0.820 42.7-148.5 -89.1 119.5 -13.7 -14.1 -16.5 43 123 A D > - 0 0 44 4,-2.4 3,-2.3 -2,-0.7 -1,-0.0 -0.282 31.3 -94.1 -81.4 173.2 -14.6 -12.8 -20.0 44 124 A T T 3 S+ 0 0 143 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.718 126.4 56.3 -61.5 -21.7 -15.0 -14.9 -23.1 45 125 A D T 3 S- 0 0 70 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.326 121.7-107.8 -89.4 7.6 -11.4 -14.1 -24.1 46 126 A G S < S+ 0 0 34 -3,-2.3 -2,-0.1 1,-0.3 173,-0.0 0.289 70.5 147.0 85.1 -6.9 -10.2 -15.5 -20.7 47 127 A A - 0 0 0 -5,-0.1 -4,-2.4 1,-0.1 2,-0.6 -0.307 56.8-122.4 -64.9 140.3 -9.4 -12.1 -19.2 48 128 A M E -KL 42 219B 0 171,-2.7 171,-2.6 -6,-0.2 2,-0.4 -0.783 44.6-156.5 -74.4 120.2 -9.8 -11.4 -15.6 49 129 A T E -KL 41 218B 0 -8,-3.0 -8,-2.1 -2,-0.6 2,-0.5 -0.883 17.7-160.1-121.1 134.5 -12.2 -8.5 -16.0 50 130 A F E -KL 40 217B 0 167,-2.9 167,-1.9 -2,-0.4 2,-0.4 -0.956 9.9-177.8-118.7 117.1 -13.0 -5.5 -13.7 51 131 A W E + L 0 216B 53 -12,-1.6 165,-0.2 -2,-0.5 152,-0.1 -0.956 6.1 169.4-116.4 134.4 -16.2 -3.5 -14.0 52 132 A A E - L 0 215B 0 163,-1.8 163,-2.0 -2,-0.4 2,-0.2 -0.973 24.1-138.6-144.8 132.0 -17.0 -0.5 -11.9 53 133 A P E > - L 0 214B 18 0, 0.0 3,-2.0 0, 0.0 161,-0.3 -0.601 24.0-122.6 -85.6 150.7 -19.8 2.2 -12.2 54 134 A T T 3 S+ 0 0 3 159,-2.8 160,-0.1 1,-0.3 157,-0.1 0.729 112.1 60.3 -64.7 -20.3 -19.0 5.8 -11.5 55 135 A T T 3 S+ 0 0 97 158,-0.4 -1,-0.3 155,-0.2 3,-0.1 0.339 83.9 125.6 -83.8 3.3 -21.8 5.8 -8.8 56 136 A G S < S- 0 0 13 -3,-2.0 -36,-0.2 1,-0.1 -35,-0.1 -0.112 70.6 -89.2 -67.1 160.8 -20.0 3.0 -6.8 57 137 A G - 0 0 17 -38,-1.7 9,-0.5 -37,-0.1 2,-0.3 -0.303 45.8-146.1 -61.1 152.0 -18.9 3.1 -3.1 58 138 A T B -Q 65 0C 55 -37,-0.2 5,-0.1 7,-0.2 -1,-0.0 -0.886 14.6-102.1-125.6 155.3 -15.5 4.5 -2.5 59 139 A T > - 0 0 38 5,-0.5 3,-1.5 -2,-0.3 -1,-0.1 -0.186 46.6 -91.8 -71.7 169.2 -12.7 3.8 0.1 60 140 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.799 121.3 30.8 -53.8 -37.6 -12.1 6.0 3.2 61 141 A N T 3 S+ 0 0 124 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.016 108.3 73.5-119.7 26.3 -9.5 8.3 1.5 62 142 A S < - 0 0 23 -3,-1.5 -4,-0.0 1,-0.1 0, 0.0 -0.997 57.1-153.8-137.0 145.5 -10.6 8.4 -2.1 63 143 A S S S+ 0 0 82 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 0.440 77.1 81.1 -89.6 1.7 -13.5 10.1 -3.9 64 144 A Y S S- 0 0 81 142,-0.0 -5,-0.5 -5,-0.0 144,-0.1 -0.864 74.5-126.5-119.4 141.4 -13.4 7.5 -6.7 65 145 A P B -Q 58 0C 0 0, 0.0 140,-2.1 0, 0.0 2,-0.3 -0.410 28.8-172.0 -82.9 158.1 -14.8 3.9 -6.9 66 146 A R E - C 0 204A 15 -9,-0.5 2,-0.4 138,-0.2 138,-0.2 -0.991 34.7-161.6-146.1 152.9 -12.7 0.8 -7.9 67 147 A S E + C 0 203A 0 136,-2.6 136,-2.0 -2,-0.3 2,-0.3 -0.936 55.1 144.2-123.3 102.9 -12.8 -2.9 -8.7 68 148 A E E -AC 17 202A 0 -51,-2.3 -51,-3.0 -2,-0.4 134,-0.2 -0.999 51.8-120.1-153.7 138.1 -9.2 -3.5 -8.0 69 149 A L E -AC 16 201A 0 132,-3.0 132,-1.6 -2,-0.3 2,-0.4 -0.586 21.9-157.7 -81.3 147.8 -6.8 -6.1 -6.6 70 150 A R E -AC 15 200A 8 -55,-2.6 -55,-2.0 -2,-0.2 130,-0.2 -0.994 25.2-115.9-129.1 119.5 -4.6 -5.1 -3.6 71 151 A E E -A 14 0A 6 128,-2.9 2,-0.5 -2,-0.4 -57,-0.3 -0.358 28.1-167.2 -64.9 133.9 -1.4 -7.1 -3.1 72 152 A M - 0 0 9 -59,-2.5 9,-0.1 1,-0.1 6,-0.1 -0.903 16.9-179.3-124.5 98.0 -1.3 -9.2 0.1 73 153 A L S S+ 0 0 58 7,-0.8 -1,-0.1 -2,-0.5 8,-0.1 0.907 94.9 32.3 -58.4 -39.6 2.1 -10.5 1.1 74 154 A D S > S- 0 0 55 3,-0.5 3,-2.4 6,-0.5 -1,-0.3 -0.955 82.7-152.6-116.9 108.5 0.1 -12.0 4.0 75 155 A P T 3 S+ 0 0 57 0, 0.0 -47,-0.4 0, 0.0 -46,-0.1 0.650 96.0 44.5 -57.5 -15.6 -3.4 -12.8 2.9 76 156 A S T 3 S+ 0 0 110 1,-0.2 2,-0.3 -49,-0.1 -49,-0.0 0.347 112.3 52.2-110.8 7.9 -4.7 -12.4 6.5 77 157 A N X - 0 0 65 -3,-2.4 3,-1.6 3,-0.1 -3,-0.5 -0.792 52.5-171.5-149.4 102.8 -2.8 -9.1 7.4 78 158 A S T 3 S+ 0 0 46 -2,-0.3 39,-0.1 1,-0.3 -1,-0.1 0.500 84.3 72.2 -71.2 -6.0 -2.9 -6.0 5.2 79 159 A K T 3 S+ 0 0 116 37,-0.1 2,-0.8 -5,-0.1 -1,-0.3 0.391 73.7 93.3 -88.1 -0.5 -0.2 -4.4 7.4 80 160 A V < + 0 0 55 -3,-1.6 -7,-0.8 -6,-0.2 -6,-0.5 -0.854 58.4 145.2 -95.2 107.9 2.5 -6.7 5.9 81 161 A N - 0 0 16 -2,-0.8 2,-0.2 -8,-0.1 117,-0.2 -0.782 42.8 -96.7-138.8 175.9 4.0 -4.8 3.0 82 162 A W B -D 197 0A 11 115,-2.4 115,-2.3 -2,-0.2 2,-0.2 -0.539 28.5-133.7-105.8 167.0 7.3 -4.2 1.2 83 163 A G - 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