==== 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 25-JUN-05 2CWS . COMPND 2 MOLECULE: ALGINATE LYASE A1-II'; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP. A1; . AUTHOR M.YAMASAKI,K.OGURA,W.HASHIMOTO,B.MIKAMI,K.MURATA . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 69.6 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 . 103 45.4 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 1.8 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 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.1 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 2 1 1 4 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 83 A A 0 0 74 0, 0.0 31,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 153.6 16.5 23.5 22.2 2 84 A A > - 0 0 22 1,-0.1 3,-3.5 30,-0.1 4,-0.5 -0.182 360.0 -89.5 -63.8 163.1 13.0 24.9 22.2 3 85 A P G >> S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-1.2 0.815 124.8 68.0 -58.5 -17.8 11.9 26.4 18.9 4 86 A G G 34 S+ 0 0 17 25,-0.4 5,-0.1 29,-0.3 26,-0.1 0.798 92.7 57.1 -61.7 -25.5 13.3 29.7 20.1 5 87 A K G <4 S+ 0 0 136 -3,-3.5 -1,-0.3 1,-0.2 3,-0.1 0.752 116.8 35.2 -89.5 7.5 16.8 28.5 19.9 6 88 A N T <4 S+ 0 0 72 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.565 115.1 44.6-128.4 -7.0 16.3 27.6 16.3 7 89 A F S < S- 0 0 24 -4,-1.2 2,-1.2 212,-0.1 -1,-0.2 -0.966 79.5-113.0-136.6 147.6 14.1 30.2 14.8 8 90 A D + 0 0 112 212,-0.3 3,-0.3 -2,-0.3 -4,-0.1 -0.762 43.9 162.7 -79.3 96.9 13.9 34.0 14.9 9 91 A L > + 0 0 5 -2,-1.2 3,-1.5 1,-0.2 21,-0.2 0.123 38.0 111.6-101.5 18.3 10.6 34.3 16.7 10 92 A S T 3 S+ 0 0 52 1,-0.3 -1,-0.2 19,-0.1 16,-0.1 0.708 85.3 38.6 -66.9 -18.5 11.2 37.9 17.7 11 93 A H T 3 S+ 0 0 88 -3,-0.3 59,-2.7 15,-0.1 2,-0.3 -0.148 106.8 77.2-124.6 37.8 8.4 39.0 15.3 12 94 A W E < -A 69 0A 9 -3,-1.5 2,-0.3 57,-0.3 57,-0.2 -0.994 54.6-161.9-135.7 147.9 5.9 36.2 15.9 13 95 A K E -A 68 0A 25 55,-2.3 55,-2.7 -2,-0.3 2,-0.5 -0.856 23.2-126.5-116.9 160.6 3.4 35.4 18.7 14 96 A L E -AB 67 24A 0 10,-2.4 10,-2.6 -2,-0.3 2,-0.5 -0.923 12.3-156.7-114.1 131.9 1.9 32.0 19.2 15 97 A Q E -AB 66 23A 19 51,-2.9 51,-2.3 -2,-0.5 8,-0.2 -0.919 18.9-154.0-106.7 129.5 -1.8 31.1 19.4 16 98 A L - 0 0 6 6,-2.5 49,-0.2 -2,-0.5 48,-0.2 -0.631 22.4-133.5-107.2 163.0 -2.7 27.9 21.2 17 99 A P + 0 0 2 0, 0.0 38,-1.6 0, 0.0 48,-0.1 0.103 62.8 124.4-103.1 22.3 -5.5 25.4 21.2 18 100 A D S > S- 0 0 33 36,-0.2 3,-2.1 4,-0.2 46,-0.1 -0.259 83.4 -91.6 -67.5 171.3 -5.9 25.1 24.9 19 101 A A T 3 S+ 0 0 88 1,-0.3 37,-0.3 35,-0.1 -1,-0.1 0.847 129.0 42.1 -56.2 -37.7 -9.4 25.8 26.2 20 102 A N T 3 S- 0 0 137 35,-0.1 -1,-0.3 37,-0.0 -4,-0.0 0.268 106.4-125.4 -95.0 10.6 -8.7 29.5 26.8 21 103 A T < - 0 0 38 -3,-2.1 -2,-0.1 1,-0.1 33,-0.0 0.911 37.7-158.2 43.4 56.6 -6.7 29.9 23.5 22 104 A T - 0 0 56 -7,-0.1 -6,-2.5 1,-0.1 2,-0.4 -0.276 6.1-142.5 -61.5 145.7 -3.7 31.3 25.2 23 105 A E E -B 15 0A 90 -8,-0.2 2,-0.5 -10,-0.0 -8,-0.2 -0.935 3.6-148.6-113.1 139.9 -1.2 33.4 23.4 24 106 A I E -B 14 0A 20 -10,-2.6 -10,-2.4 -2,-0.4 5,-0.0 -0.930 23.3-125.3-107.8 127.0 2.6 33.2 24.0 25 107 A S > - 0 0 53 -2,-0.5 4,-2.4 -12,-0.2 5,-0.2 -0.185 20.1-111.7 -69.0 157.8 4.5 36.5 23.5 26 108 A S H > S+ 0 0 18 47,-0.3 4,-2.3 1,-0.2 5,-0.1 0.913 118.8 53.5 -53.3 -43.4 7.5 36.8 21.2 27 109 A A H > S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 108.2 48.4 -63.4 -42.0 9.7 37.3 24.2 28 110 A N H 4>S+ 0 0 89 2,-0.2 5,-2.0 1,-0.2 -1,-0.2 0.865 108.7 54.1 -68.7 -31.7 8.5 34.1 25.8 29 111 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -25,-0.4 0.942 109.3 49.3 -61.8 -43.9 9.1 32.2 22.6 30 112 A G H 3<5S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.758 104.5 58.7 -64.9 -27.1 12.6 33.5 22.6 31 113 A L T 3<5S- 0 0 140 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.276 129.5 -91.1 -85.9 3.2 13.1 32.5 26.2 32 114 A G T < 5 - 0 0 31 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.707 54.1-178.1 101.8 24.7 12.3 28.9 25.3 33 115 A Y < + 0 0 55 -5,-2.0 -29,-0.3 -31,-0.1 2,-0.3 -0.272 13.1 163.6 -50.1 137.3 8.6 28.3 25.7 34 116 A T + 0 0 78 -32,-0.1 2,-0.3 -31,-0.1 5,-0.2 -0.979 2.6 147.1-155.0 149.5 7.7 24.7 24.9 35 117 A S B > -J 38 0B 26 3,-2.5 3,-1.1 -2,-0.3 -2,-0.0 -0.928 64.8 -70.4-161.5-173.4 4.6 22.6 25.6 36 118 A Q T 3 S+ 0 0 118 -2,-0.3 3,-0.1 1,-0.2 13,-0.0 0.727 131.4 49.0 -62.9 -20.9 2.5 19.7 24.2 37 119 A Y T 3 S+ 0 0 35 1,-0.3 12,-1.8 11,-0.1 2,-0.3 0.572 122.0 23.4 -91.9 -14.6 1.3 22.2 21.5 38 120 A F E < S+JK 35 48B 0 -3,-1.1 -3,-2.5 10,-0.2 2,-0.3 -0.864 76.9 132.2-161.1 111.3 4.7 23.6 20.4 39 121 A Y E - K 0 47B 62 8,-2.1 8,-3.0 -2,-0.3 2,-0.6 -0.970 54.1 -96.4-159.6 166.8 8.0 21.9 20.7 40 122 A T E - K 0 46B 34 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.851 40.3-148.2 -93.6 123.4 11.3 21.0 19.0 41 123 A D > - 0 0 51 4,-2.2 3,-2.4 -2,-0.6 -1,-0.0 -0.293 34.1 -93.5 -81.9 175.8 11.2 17.4 17.6 42 124 A T T 3 S+ 0 0 146 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.707 125.9 58.9 -65.1 -19.7 14.3 15.2 17.4 43 125 A D T 3 S- 0 0 68 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.274 120.9-107.1 -88.2 9.6 14.8 16.3 13.8 44 126 A G S < S+ 0 0 33 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.329 70.9 146.7 84.0 -6.9 15.1 19.9 14.9 45 127 A A - 0 0 0 1,-0.1 -4,-2.2 -5,-0.1 2,-0.6 -0.390 56.8-122.0 -70.9 143.6 11.7 20.9 13.6 46 128 A M E -KL 40 217B 0 171,-2.6 171,-2.4 -6,-0.2 2,-0.4 -0.742 42.6-157.3 -74.4 119.2 9.5 23.5 15.2 47 129 A T E -KL 39 216B 0 -8,-3.0 -8,-2.1 -2,-0.6 2,-0.5 -0.911 15.5-161.9-119.9 129.5 6.4 21.3 15.8 48 130 A F E -KL 38 215B 1 167,-3.1 167,-2.1 -2,-0.4 2,-0.4 -0.942 9.4-176.6-114.8 121.4 2.8 22.4 16.2 49 131 A W E + L 0 214B 68 -12,-1.8 165,-0.2 -2,-0.5 152,-0.1 -0.965 6.9 167.8-119.9 135.1 0.3 20.0 17.7 50 132 A A E - L 0 213B 0 163,-1.9 163,-2.2 -2,-0.4 2,-0.2 -0.969 24.9-137.3-147.6 133.1 -3.4 20.7 18.1 51 133 A P E > - L 0 212B 21 0, 0.0 3,-2.0 0, 0.0 161,-0.3 -0.571 23.9-121.6 -85.0 152.7 -6.4 18.5 19.0 52 134 A T T 3 S+ 0 0 2 159,-2.6 160,-0.1 1,-0.3 157,-0.1 0.740 113.0 56.2 -67.1 -20.1 -9.8 18.8 17.2 53 135 A T T 3 S+ 0 0 100 158,-0.4 -1,-0.3 155,-0.1 3,-0.1 0.247 85.0 125.1 -92.7 11.6 -11.5 19.5 20.5 54 136 A G S < S- 0 0 15 -3,-2.0 -36,-0.2 1,-0.1 -35,-0.1 -0.069 70.9 -82.5 -67.0 167.2 -9.2 22.5 21.3 55 137 A G - 0 0 13 -38,-1.6 9,-0.5 -37,-0.1 2,-0.4 -0.339 43.3-141.3 -65.5 154.7 -10.3 26.0 22.1 56 138 A T B -Q 63 0C 59 -37,-0.3 5,-0.1 7,-0.2 -1,-0.0 -0.893 15.4-112.5-122.8 146.9 -11.2 28.3 19.2 57 139 A T > - 0 0 37 5,-0.5 3,-2.3 -2,-0.4 5,-0.1 -0.238 46.7 -86.8 -72.6 172.0 -10.5 32.0 18.8 58 140 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.752 123.3 31.3 -60.2 -32.8 -13.3 34.5 18.8 59 141 A N T 3 S+ 0 0 129 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.034 109.9 72.5-115.9 31.6 -14.1 34.4 15.2 60 142 A S < - 0 0 21 -3,-2.3 -4,-0.1 1,-0.1 0, 0.0 -0.962 54.7-157.3-132.3 158.8 -13.2 30.8 14.3 61 143 A S S S+ 0 0 60 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 0.422 77.3 80.7-104.3 0.4 -14.8 27.2 15.0 62 144 A Y S S- 0 0 75 -5,-0.1 -5,-0.5 142,-0.1 144,-0.1 -0.872 76.5-127.4-113.6 146.0 -11.5 25.5 14.4 63 145 A P B -Q 56 0C 1 0, 0.0 140,-2.3 0, 0.0 2,-0.3 -0.417 28.6-173.4 -84.5 160.3 -8.5 25.1 16.8 64 146 A R E - C 0 202A 13 -9,-0.5 2,-0.4 138,-0.2 138,-0.2 -0.998 36.7-159.9-148.6 153.7 -4.9 26.1 16.1 65 147 A S E + C 0 201A 0 136,-2.5 136,-2.4 -2,-0.3 2,-0.3 -0.942 54.9 149.0-123.9 102.0 -1.4 26.0 17.2 66 148 A E E -AC 15 200A 0 -51,-2.3 -51,-2.9 -2,-0.4 2,-0.3 -1.000 48.2-125.9-148.4 136.8 -0.3 28.9 14.9 67 149 A L E -AC 14 199A 0 132,-3.1 132,-1.5 -2,-0.3 2,-0.4 -0.619 20.6-157.4 -83.6 146.3 2.2 31.7 14.7 68 150 A R E -AC 13 198A 11 -55,-2.7 -55,-2.3 -2,-0.3 130,-0.2 -0.993 24.0-116.0-127.3 120.6 0.9 35.3 14.1 69 151 A E E -A 12 0A 5 128,-3.0 2,-0.5 -2,-0.4 -57,-0.3 -0.366 26.5-166.6 -65.9 136.1 3.3 37.8 12.6 70 152 A M - 0 0 10 -59,-2.7 9,-0.1 1,-0.2 6,-0.1 -0.854 16.3-178.3-126.2 93.2 4.0 40.8 14.8 71 153 A L S S+ 0 0 57 7,-0.7 -1,-0.2 -2,-0.5 8,-0.1 0.878 96.7 30.6 -53.6 -39.6 5.8 43.7 13.1 72 154 A D S > S- 0 0 54 6,-0.5 3,-2.5 3,-0.4 -1,-0.3 -0.956 79.7-157.7-116.4 108.2 5.7 45.2 16.6 73 155 A P T 3 S+ 0 0 50 0, 0.0 -47,-0.3 0, 0.0 3,-0.2 0.662 95.7 50.3 -61.3 -12.3 5.8 42.4 19.2 74 156 A S T 3 S+ 0 0 106 1,-0.2 2,-0.2 -49,-0.1 -3,-0.0 0.282 114.6 41.3-105.4 5.6 4.2 44.8 21.7 75 157 A N X - 0 0 67 -3,-2.5 3,-1.8 3,-0.1 -3,-0.4 -0.638 54.3-170.9-158.0 99.5 1.3 45.9 19.4 76 158 A S T 3 S+ 0 0 39 1,-0.3 -5,-0.1 -2,-0.2 -1,-0.1 0.548 83.6 74.5 -65.3 -8.3 -0.7 43.5 17.2 77 159 A K T 3 S+ 0 0 128 37,-0.1 2,-0.7 -5,-0.1 -1,-0.3 0.478 74.1 91.4 -84.0 -4.6 -2.4 46.5 15.6 78 160 A V < + 0 0 59 -3,-1.8 -7,-0.7 -6,-0.2 -6,-0.5 -0.840 57.7 147.7 -92.8 110.9 0.7 47.3 13.6 79 161 A N - 0 0 11 -2,-0.7 2,-0.2 -8,-0.1 117,-0.2 -0.799 41.2 -97.8-141.1 174.9 0.5 45.5 10.3 80 162 A W B -D 195 0A 11 115,-2.3 115,-2.2 -2,-0.2 2,-0.1 -0.549 29.3-130.3-108.4 165.8 1.5 45.9 6.6 81 163 A G - 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