==== 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 12-JUN-07 2Z42 . COMPND 2 MOLECULE: ALGINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP.; . AUTHOR K.OGURA,M.YAMASAKI,W.HASHIMOTO,B.MIKAMI,K.MURATA . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 70.0 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 . 104 44.6 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 . 2 0.9 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 . 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 . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 2 0 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 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 . 2 2 1 2 1 4 0 3 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 0 186 0, 0.0 43,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 106.1 9.1 18.5 -9.2 2 82 A A - 0 0 73 40,-0.2 40,-0.1 1,-0.1 2,-0.1 -0.236 360.0 -98.8 -69.3 157.9 10.5 16.8 -6.1 3 83 A A - 0 0 44 1,-0.1 -1,-0.1 2,-0.1 31,-0.1 -0.421 46.2 -94.4 -72.5 154.1 9.2 13.4 -4.8 4 84 A A >> - 0 0 14 1,-0.1 3,-2.3 -2,-0.1 4,-1.7 -0.273 40.2-104.7 -64.6 154.3 6.7 13.4 -1.9 5 85 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.1 0.824 118.9 59.9 -55.6 -34.6 8.1 13.1 1.6 6 86 A G H 34 S+ 0 0 9 29,-0.5 5,-0.4 25,-0.3 30,-0.1 0.501 107.5 48.2 -72.6 -6.7 7.2 9.4 2.0 7 87 A K H <4 S+ 0 0 127 -3,-2.3 -1,-0.2 28,-0.1 25,-0.1 0.772 115.5 41.9 -91.9 -43.2 9.3 8.7 -1.0 8 88 A N H < S+ 0 0 85 -4,-1.7 2,-0.3 -5,-0.1 -2,-0.2 0.833 120.5 42.3 -72.1 -34.3 12.4 10.7 0.2 9 89 A F S < S- 0 0 36 -4,-2.9 2,-1.3 -5,-0.2 212,-0.0 -0.800 91.1-106.7-112.6 156.2 12.1 9.4 3.8 10 90 A D + 0 0 118 -2,-0.3 3,-0.3 212,-0.3 -3,-0.1 -0.684 47.9 158.8 -82.2 94.8 11.4 6.0 5.3 11 91 A L > + 0 0 5 -2,-1.3 3,-1.5 -5,-0.4 21,-0.2 0.041 32.4 118.8-105.2 25.8 7.9 6.6 6.6 12 92 A S T 3 S+ 0 0 53 1,-0.3 -1,-0.2 19,-0.1 16,-0.1 0.741 81.7 40.8 -65.2 -21.3 7.1 2.8 6.7 13 93 A H T 3 S+ 0 0 87 -3,-0.3 59,-2.8 15,-0.1 2,-0.3 -0.151 106.0 75.5-121.0 39.3 6.5 3.1 10.4 14 94 A W E < -A 71 0A 9 -3,-1.5 2,-0.3 57,-0.3 57,-0.2 -0.992 54.8-158.2-138.4 148.2 4.6 6.4 10.6 15 95 A K E -A 70 0A 22 55,-2.4 55,-3.0 -2,-0.3 2,-0.5 -0.877 24.2-126.3-111.2 162.0 1.1 7.6 9.9 16 96 A L E -AB 69 26A 0 10,-2.5 10,-2.7 -2,-0.3 2,-0.5 -0.920 14.4-155.4-113.1 126.7 0.3 11.2 9.2 17 97 A Q E -AB 68 25A 9 51,-3.0 51,-2.4 -2,-0.5 8,-0.2 -0.854 18.8-153.7-104.3 130.6 -2.3 13.1 11.2 18 98 A L - 0 0 6 6,-2.7 49,-0.2 -2,-0.5 48,-0.2 -0.591 25.1-137.3-110.5 161.2 -3.9 16.1 9.5 19 99 A P + 0 0 2 0, 0.0 38,-1.9 0, 0.0 48,-0.1 0.033 62.4 124.5-101.5 25.0 -5.6 19.4 10.4 20 100 A D S > S- 0 0 34 36,-0.2 3,-1.8 4,-0.1 37,-0.2 -0.231 83.9 -91.9 -71.4 175.1 -8.3 19.2 7.7 21 101 A A T 3 S+ 0 0 105 1,-0.3 37,-0.2 2,-0.1 -1,-0.1 0.842 129.5 44.3 -58.3 -34.0 -11.9 19.4 8.8 22 102 A N T 3 S- 0 0 128 35,-0.1 -1,-0.3 37,-0.0 -4,-0.0 0.334 104.6-128.0 -89.8 -1.6 -12.1 15.5 9.2 23 103 A T < - 0 0 40 -3,-1.8 -2,-0.1 1,-0.1 33,-0.0 0.934 39.7-158.7 44.7 58.4 -8.7 15.3 11.0 24 104 A T - 0 0 52 -7,-0.1 -6,-2.7 1,-0.0 2,-0.5 -0.227 14.2-145.9 -67.2 148.7 -7.7 12.6 8.5 25 105 A E E -B 17 0A 89 -8,-0.2 2,-0.5 -10,-0.0 -8,-0.2 -0.980 6.8-150.5-119.5 119.5 -4.9 10.1 9.0 26 106 A I E -B 16 0A 13 -10,-2.7 -10,-2.5 -2,-0.5 5,-0.0 -0.774 23.8-128.3 -86.9 125.5 -2.8 9.0 6.1 27 107 A S > - 0 0 44 -2,-0.5 4,-2.4 -12,-0.2 5,-0.2 -0.209 20.0-108.8 -70.0 162.6 -1.6 5.4 6.6 28 108 A S H > S+ 0 0 15 47,-0.5 4,-2.5 1,-0.2 5,-0.2 0.908 120.7 56.5 -56.8 -41.9 2.0 4.4 6.2 29 109 A A H > S+ 0 0 62 46,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.928 109.0 45.2 -56.1 -47.8 1.1 2.6 3.0 30 110 A N H >>S+ 0 0 84 2,-0.2 5,-1.9 1,-0.2 4,-0.6 0.834 109.5 54.5 -69.8 -31.5 -0.3 5.8 1.5 31 111 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -25,-0.3 0.937 108.8 50.7 -57.7 -44.4 2.7 7.8 2.7 32 112 A G H 3<5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.774 103.5 57.8 -66.9 -30.0 4.8 5.3 0.8 33 113 A L H 3<5S- 0 0 132 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.627 130.0 -91.9 -74.0 -14.7 2.7 5.7 -2.4 34 114 A G T <<5 - 0 0 23 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.2 0.720 53.3-176.0 111.6 25.7 3.6 9.4 -2.3 35 115 A Y < + 0 0 58 -5,-1.9 -29,-0.5 -31,-0.1 2,-0.3 -0.265 15.2 159.6 -51.1 131.8 0.8 11.3 -0.4 36 116 A T + 0 0 74 -32,-0.1 2,-0.3 -31,-0.1 5,-0.2 -0.974 3.3 146.7-154.6 150.5 1.4 15.0 -0.5 37 117 A S B > -J 40 0B 34 3,-2.2 3,-1.2 -2,-0.3 -2,-0.0 -0.913 65.3 -67.4-161.3-174.2 -0.8 18.1 0.0 38 118 A Q T 3 S+ 0 0 122 -2,-0.3 3,-0.2 1,-0.3 13,-0.1 0.744 131.8 50.9 -57.6 -25.1 -0.9 21.7 1.3 39 119 A Y T 3 S+ 0 0 34 1,-0.3 12,-1.9 11,-0.1 2,-0.3 0.630 121.1 24.6 -86.5 -16.5 -0.3 20.2 4.8 40 120 A F E < S+JK 37 50B 0 -3,-1.2 -3,-2.2 10,-0.2 2,-0.3 -0.856 77.7 137.1-161.5 106.7 2.6 17.9 4.0 41 121 A Y E - K 0 49B 61 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.968 51.5-101.3-155.6 161.0 5.1 18.4 1.1 42 122 A T E - K 0 48B 23 -2,-0.3 6,-0.2 6,-0.2 -40,-0.2 -0.822 39.3-149.3 -90.0 124.4 8.7 18.4 -0.0 43 123 A D > - 0 0 50 4,-2.0 3,-2.2 -2,-0.6 -1,-0.0 -0.292 34.3 -92.3 -84.9 175.4 10.1 21.9 -0.2 44 124 A T T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 127.7 55.6 -63.1 -22.5 12.9 23.0 -2.7 45 125 A D T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.390 121.1-109.3 -87.2 1.9 15.6 22.2 -0.1 46 126 A G < + 0 0 34 -3,-2.2 -2,-0.1 1,-0.3 -38,-0.1 0.304 67.7 150.1 92.0 -9.3 14.2 18.6 0.1 47 127 A A - 0 0 0 -5,-0.1 -4,-2.0 1,-0.1 2,-0.7 -0.243 55.5-119.6 -63.8 141.3 12.7 19.0 3.6 48 128 A M E -KL 42 219B 0 171,-2.6 171,-2.3 -6,-0.2 2,-0.4 -0.759 43.8-159.2 -74.3 115.1 9.7 17.1 4.7 49 129 A T E -KL 41 218B 0 -8,-2.9 -8,-2.3 -2,-0.7 2,-0.5 -0.885 15.0-161.9-117.6 132.0 7.5 20.2 5.4 50 130 A F E -KL 40 217B 0 167,-3.1 167,-2.1 -2,-0.4 2,-0.4 -0.960 7.2-174.8-118.1 123.5 4.4 20.3 7.6 51 131 A W E + L 0 216B 60 -12,-1.9 165,-0.2 -2,-0.5 152,-0.1 -0.954 6.5 172.5-119.9 134.2 1.9 23.2 7.4 52 132 A A E - L 0 215B 0 163,-1.8 163,-2.1 -2,-0.4 2,-0.2 -0.971 22.3-139.8-144.6 129.3 -1.1 23.6 9.8 53 133 A P E > - L 0 214B 14 0, 0.0 3,-1.9 0, 0.0 161,-0.3 -0.606 19.5-129.6 -84.6 146.7 -3.6 26.4 10.2 54 134 A T T 3 S+ 0 0 2 159,-2.7 160,-0.1 1,-0.3 157,-0.1 0.694 111.4 59.4 -64.9 -18.7 -4.8 27.5 13.6 55 135 A T T 3 S+ 0 0 98 158,-0.5 -1,-0.3 155,-0.1 153,-0.1 0.355 87.3 119.1 -87.2 3.3 -8.4 27.2 12.2 56 136 A G S < S- 0 0 17 -3,-1.9 -36,-0.2 1,-0.1 -35,-0.1 -0.011 73.4 -78.6 -70.3 170.7 -7.8 23.5 11.4 57 137 A G - 0 0 15 -38,-1.9 9,-0.5 -37,-0.2 2,-0.3 -0.357 41.8-155.4 -68.6 151.0 -9.6 20.4 12.8 58 138 A T - 0 0 73 -37,-0.2 2,-0.2 7,-0.2 5,-0.1 -0.948 7.4-137.7-129.1 144.0 -8.8 19.1 16.2 59 139 A T > - 0 0 30 5,-0.4 3,-2.4 -2,-0.3 -36,-0.0 -0.639 29.3-103.5-104.3 166.9 -9.2 15.5 17.5 60 140 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.757 124.4 44.5 -56.0 -28.9 -10.5 14.1 20.8 61 141 A N T 3 S+ 0 0 80 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.256 109.2 66.2-100.4 8.9 -6.9 13.4 21.9 62 142 A S < - 0 0 7 -3,-2.4 -3,-0.3 1,-0.1 -1,-0.1 -0.953 57.8-159.9-141.6 125.9 -5.5 16.8 20.7 63 143 A S S S+ 0 0 84 -2,-0.4 -1,-0.1 -5,-0.1 -5,-0.1 0.622 82.3 27.9 -69.8 -20.6 -6.1 20.4 22.0 64 144 A Y S S- 0 0 67 -7,-0.0 -5,-0.4 -5,-0.0 144,-0.1 -0.897 94.4 -82.9-139.8 162.8 -4.9 22.0 18.8 65 145 A P - 0 0 0 0, 0.0 140,-1.6 0, 0.0 2,-0.3 -0.309 48.3-173.4 -68.1 157.3 -4.6 21.3 15.1 66 146 A R E - C 0 204A 16 -9,-0.5 2,-0.4 138,-0.2 138,-0.2 -0.999 37.7-164.4-149.8 149.5 -1.7 19.3 13.8 67 147 A S E + C 0 203A 0 136,-2.6 136,-2.3 -2,-0.3 2,-0.3 -0.926 54.5 144.1-124.8 103.4 0.1 18.1 10.7 68 148 A E E -AC 17 202A 0 -51,-2.4 -51,-3.0 -2,-0.4 134,-0.3 -0.998 51.9-119.2-153.5 136.3 2.2 15.5 12.5 69 149 A L E -AC 16 201A 0 132,-2.9 132,-1.6 -2,-0.3 2,-0.5 -0.569 23.0-159.1 -79.1 142.0 3.6 12.0 12.1 70 150 A R E -AC 15 200A 9 -55,-3.0 -55,-2.4 -2,-0.2 130,-0.2 -0.992 25.4-114.2-125.2 120.0 2.6 9.4 14.6 71 151 A E E -A 14 0A 4 128,-3.0 2,-0.5 -2,-0.5 -57,-0.3 -0.257 26.7-166.5 -61.0 134.7 4.8 6.3 15.1 72 152 A M + 0 0 10 -59,-2.8 9,-0.1 1,-0.1 6,-0.1 -0.839 15.3 179.6-124.6 89.4 3.4 3.0 13.9 73 153 A L S S+ 0 0 53 7,-0.7 -1,-0.1 -2,-0.5 8,-0.1 0.886 93.4 36.8 -46.9 -42.1 5.4 0.0 15.1 74 154 A D S > S- 0 0 52 6,-0.5 3,-2.3 3,-0.5 -1,-0.3 -0.958 84.4-150.5-115.2 109.5 2.7 -1.9 13.2 75 155 A P T 3 S+ 0 0 49 0, 0.0 -47,-0.5 0, 0.0 -46,-0.3 0.595 96.5 39.8 -57.6 -12.8 1.8 0.0 10.1 76 156 A S T 3 S+ 0 0 109 1,-0.2 2,-0.3 -49,-0.1 -3,-0.0 0.234 112.9 55.0-119.9 11.0 -1.7 -1.4 10.2 77 157 A N X - 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