==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-07 3BD9 . COMPND 2 MOLECULE: HEPARAN SULFATE GLUCOSAMINE 3-O-SULFOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.XU,A.F.MOON,D.SONG,J.LIU,L.C.PEDERSEN . 258 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 4 1 0 2 1 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 85 A S 0 0 116 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.9 0.5 33.8 86.7 2 86 A H + 0 0 90 61,-0.2 2,-0.3 62,-0.1 61,-0.2 -0.915 360.0 142.8-121.3 103.1 -2.1 33.4 83.9 3 87 A M E -A 62 0A 104 59,-2.5 59,-2.6 -2,-0.6 2,-0.7 -0.932 56.4-102.2-140.6 164.4 -1.1 35.3 80.7 4 88 A Q E -A 61 0A 34 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.761 47.5-169.9 -85.2 115.5 -1.1 35.2 77.0 5 89 A Q - 0 0 32 -2,-0.7 3,-0.1 55,-0.7 58,-0.0 -0.822 25.8-108.9-111.2 150.1 2.5 34.2 76.0 6 90 A L - 0 0 55 -2,-0.3 62,-0.4 1,-0.1 50,-0.1 -0.436 51.6 -91.6 -69.2 148.5 4.2 34.2 72.6 7 91 A P - 0 0 1 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 -0.310 28.7-163.4 -62.8 143.8 4.7 30.7 71.3 8 92 A K S S+ 0 0 95 60,-1.9 85,-1.9 1,-0.3 2,-0.3 0.403 80.6 36.4-105.4 -1.5 8.1 29.0 72.2 9 93 A A E -bc 69 93B 0 59,-1.2 61,-1.6 83,-0.2 2,-0.4 -0.979 68.7-166.4-150.2 135.4 7.7 26.4 69.5 10 94 A I E -bc 70 94B 0 83,-2.2 85,-2.8 -2,-0.3 2,-1.1 -0.990 19.7-142.7-130.7 132.0 6.1 26.7 66.0 11 95 A I E +bc 71 95B 0 59,-2.9 61,-2.7 -2,-0.4 64,-0.2 -0.808 26.4 177.2 -88.6 100.7 5.1 23.9 63.6 12 96 A I E - 0 0 0 83,-1.6 64,-1.8 -2,-1.1 2,-0.3 0.562 38.7-162.5 -86.8 -7.5 6.2 25.7 60.4 13 97 A G E - c 0 96B 0 82,-0.8 84,-2.6 1,-0.2 -1,-0.2 -0.960 50.7-109.3 168.1-177.3 5.3 22.8 58.1 14 98 A V > - 0 0 1 82,-0.3 3,-2.7 -2,-0.3 5,-0.4 0.481 44.3-136.0-107.9 144.9 4.9 20.9 56.1 15 99 A R T 3 S+ 0 0 84 58,-0.5 93,-0.1 1,-0.3 -1,-0.0 -0.213 95.1 12.9 -50.1 130.6 1.3 21.1 54.7 16 100 A K T 3 S+ 0 0 57 91,-0.1 -1,-0.3 92,-0.1 91,-0.1 0.466 99.0 104.2 78.0 4.1 -0.2 17.6 54.4 17 101 A G S < S- 0 0 1 -3,-2.7 -2,-0.2 80,-0.2 81,-0.1 0.569 108.2 -87.3 -89.1 -8.9 2.7 16.1 56.5 18 102 A G S > S+ 0 0 25 -4,-0.3 4,-2.3 79,-0.1 5,-0.2 0.725 73.7 151.7 108.2 35.2 0.4 15.8 59.5 19 103 A T H > S+ 0 0 12 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.890 74.8 47.4 -62.7 -43.7 0.6 19.2 61.1 20 104 A R H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.948 113.3 48.6 -63.3 -48.3 -2.9 19.2 62.7 21 105 A A H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 111.3 50.5 -57.7 -45.2 -2.4 15.7 64.0 22 106 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.927 111.6 47.6 -60.8 -45.2 1.0 16.6 65.5 23 107 A L H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.931 112.1 49.1 -62.2 -46.7 -0.4 19.6 67.2 24 108 A E H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.9 47.7 -60.9 -40.2 -3.4 17.8 68.7 25 109 A M H >< S+ 0 0 7 -4,-2.3 3,-1.7 -5,-0.2 4,-0.3 0.890 108.6 52.0 -70.6 -40.1 -1.2 15.0 70.0 26 110 A L H >< S+ 0 0 4 -4,-2.3 3,-1.8 1,-0.3 6,-0.2 0.815 99.0 67.8 -64.7 -27.6 1.3 17.3 71.6 27 111 A N T 3< S+ 0 0 50 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.574 81.6 75.9 -68.9 -7.5 -1.7 18.9 73.3 28 112 A L T < S+ 0 0 23 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.779 76.6 92.6 -71.7 -26.0 -2.0 15.7 75.2 29 113 A H S X S- 0 0 4 -3,-1.8 3,-1.9 -4,-0.3 166,-0.0 -0.537 81.0-135.3 -72.1 126.8 0.9 16.9 77.3 30 114 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.714 103.3 51.9 -54.5 -23.9 -0.2 18.8 80.4 31 115 A A T 3 S+ 0 0 19 35,-0.1 36,-2.3 2,-0.0 2,-0.4 0.535 93.3 89.8 -93.2 -6.3 2.4 21.5 79.8 32 116 A V E < -d 67 0B 8 -3,-1.9 2,-0.4 -6,-0.2 36,-0.2 -0.737 50.2-176.0 -95.5 139.3 1.5 22.2 76.2 33 117 A V E -d 68 0B 23 34,-1.9 36,-2.1 -2,-0.4 2,-0.4 -0.995 16.8-144.2-131.8 123.3 -1.2 24.8 75.2 34 118 A K E -d 69 0B 51 -2,-0.4 2,-0.3 34,-0.2 36,-0.2 -0.728 15.5-120.7 -95.9 139.2 -2.1 25.1 71.5 35 119 A A - 0 0 1 34,-2.1 2,-0.3 -2,-0.4 36,-0.2 -0.573 39.4-110.1 -71.6 131.1 -3.0 28.3 69.7 36 120 A S S S- 0 0 76 -2,-0.3 -1,-0.1 22,-0.3 34,-0.0 -0.493 72.8 -28.5 -69.8 124.9 -6.5 28.0 68.3 37 121 A Q S S- 0 0 70 -2,-0.3 2,-0.5 2,-0.0 34,-0.3 0.186 97.1 -54.4 57.9 176.3 -6.6 27.8 64.5 38 122 A E - 0 0 71 1,-0.1 34,-0.1 32,-0.1 -2,-0.0 -0.762 44.1-168.9 -88.8 130.0 -4.0 29.4 62.2 39 123 A I - 0 0 26 -2,-0.5 -1,-0.1 32,-0.2 33,-0.1 0.703 20.1-145.9 -91.5 -22.6 -3.5 33.1 62.8 40 124 A H + 0 0 68 1,-0.0 7,-0.2 7,-0.0 8,-0.1 0.986 42.9 147.9 52.1 71.6 -1.4 33.8 59.7 41 125 A F > + 0 0 0 6,-0.1 3,-0.7 2,-0.1 7,-0.2 0.874 65.7 34.3-100.3 -54.3 0.8 36.4 61.3 42 126 A F T 3 S+ 0 0 0 1,-0.2 42,-0.1 5,-0.1 38,-0.1 0.697 118.1 52.3 -77.4 -21.3 4.3 36.3 59.6 43 127 A D T 3 S+ 0 0 29 1,-0.1 2,-0.4 37,-0.1 -1,-0.2 0.288 101.2 68.8 -98.0 8.9 3.0 35.3 56.2 44 128 A N <> - 0 0 60 -3,-0.7 4,-3.2 1,-0.1 5,-0.3 -0.931 61.6-160.8-133.5 110.2 0.5 38.2 55.9 45 129 A D H > S+ 0 0 101 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.853 92.8 56.8 -55.8 -39.6 1.7 41.8 55.6 46 130 A E H > S+ 0 0 70 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.962 116.5 34.3 -57.7 -53.0 -1.7 43.2 56.8 47 131 A N H >4 S+ 0 0 28 1,-0.2 3,-1.1 -7,-0.2 4,-0.3 0.867 113.3 58.5 -71.3 -37.8 -1.6 41.3 60.1 48 132 A Y H >< S+ 0 0 50 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.764 99.6 62.0 -63.7 -22.9 2.2 41.5 60.5 49 133 A G H 3< S+ 0 0 64 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.784 87.9 69.8 -73.2 -26.9 1.8 45.3 60.4 50 134 A K T << S- 0 0 119 -3,-1.1 4,-0.4 -4,-0.5 -1,-0.2 0.616 106.8-123.6 -66.9 -11.5 -0.4 45.2 63.6 51 135 A G X> - 0 0 23 -3,-0.9 4,-1.4 -4,-0.3 3,-0.6 0.040 25.3 -67.4 90.9 161.6 2.7 44.3 65.6 52 136 A I H 3> S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.813 125.2 61.0 -58.0 -34.1 3.9 41.5 67.9 53 137 A E H 3> S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 100.6 52.0 -64.5 -38.7 1.4 42.5 70.6 54 138 A W H <4 S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.923 112.7 47.8 -61.4 -41.5 -1.6 41.9 68.4 55 139 A Y H >< S+ 0 0 0 -4,-1.4 3,-1.8 1,-0.2 4,-0.2 0.934 109.2 52.5 -61.5 -50.4 -0.1 38.4 67.8 56 140 A R H >< S+ 0 0 57 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.892 106.5 52.9 -53.9 -46.1 0.5 37.9 71.5 57 141 A K T 3< S+ 0 0 127 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.382 98.9 64.3 -76.2 5.2 -3.1 38.7 72.4 58 142 A K T < S+ 0 0 45 -3,-1.8 -1,-0.3 -5,-0.1 -22,-0.3 0.399 88.4 93.1-102.3 -2.7 -4.4 36.1 69.8 59 143 A M S < S- 0 0 3 -3,-1.7 -24,-0.1 -4,-0.2 -53,-0.1 -0.521 84.3-107.0 -87.4 156.5 -2.7 33.4 72.0 60 144 A P - 0 0 40 0, 0.0 -55,-0.7 0, 0.0 2,-0.3 -0.358 41.2 -93.4 -78.9 165.1 -4.6 31.5 74.7 61 145 A F E +A 4 0A 115 -57,-0.2 2,-0.3 -59,-0.1 -57,-0.2 -0.609 55.2 164.2 -80.0 139.2 -3.9 32.2 78.4 62 146 A S E -A 3 0A 0 -59,-2.6 -59,-2.5 -2,-0.3 6,-0.0 -0.945 34.8 -99.0-149.6 168.9 -1.3 29.9 80.0 63 147 A Y > - 0 0 111 -2,-0.3 3,-2.6 -61,-0.2 -61,-0.2 -0.590 39.7-104.3 -93.6 154.5 0.9 29.5 83.0 64 148 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -62,-0.1 0.795 119.1 52.7 -41.9 -43.9 4.6 30.4 83.3 65 149 A Q T 3 S+ 0 0 90 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 0.280 95.0 94.1 -82.8 11.2 5.7 26.8 83.1 66 150 A Q < - 0 0 38 -3,-2.6 2,-0.5 -34,-0.0 -34,-0.2 -0.757 64.6-141.5-106.8 153.6 3.7 26.1 79.9 67 151 A I E - d 0 32B 15 -36,-2.3 -34,-1.9 -2,-0.3 2,-0.4 -0.951 12.0-146.1-114.4 128.0 4.8 26.2 76.3 68 152 A T E - d 0 33B 1 -2,-0.5 -60,-1.9 -62,-0.4 -59,-1.2 -0.753 13.9-161.7 -92.9 136.8 2.5 27.6 73.7 69 153 A I E -bd 9 34B 0 -36,-2.1 -34,-2.1 -2,-0.4 2,-0.3 -0.977 2.5-161.7-124.9 127.5 2.7 26.0 70.2 70 154 A E E -b 10 0B 0 -61,-1.6 -59,-2.9 -2,-0.5 2,-0.5 -0.794 7.3-149.0-105.3 151.6 1.4 27.6 67.0 71 155 A K E +b 11 0B 18 -2,-0.3 -59,-0.2 -34,-0.3 -32,-0.2 -0.977 28.2 154.1-122.5 117.4 0.7 25.6 63.8 72 156 A S > - 0 0 0 -61,-2.7 3,-1.6 -2,-0.5 4,-0.4 -0.642 15.4-178.4-147.5 85.6 1.2 27.4 60.5 73 157 A P G > S+ 0 0 8 0, 0.0 3,-1.0 0, 0.0 -58,-0.5 0.773 81.0 63.6 -50.9 -38.0 2.0 25.2 57.5 74 158 A A G >> S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.736 85.9 75.3 -64.7 -22.7 2.2 28.1 55.0 75 159 A Y G <4 S+ 0 0 0 -3,-1.6 -1,-0.2 1,-0.2 6,-0.2 0.853 83.7 66.2 -57.3 -37.5 5.2 29.4 56.9 76 160 A F G <4 S+ 0 0 0 -64,-1.8 -1,-0.2 -3,-1.0 -2,-0.2 0.851 113.4 28.0 -53.7 -41.4 7.5 26.7 55.5 77 161 A I T <4 S+ 0 0 57 -3,-0.7 2,-0.6 -4,-0.4 -1,-0.2 0.698 91.3 103.4 -97.3 -24.1 7.2 28.1 51.9 78 162 A T >< - 0 0 39 -4,-1.8 3,-1.1 1,-0.1 -36,-0.0 -0.514 66.0-143.0 -68.7 114.0 6.6 31.8 52.3 79 163 A E T 3 S+ 0 0 78 -2,-0.6 4,-0.3 1,-0.2 -1,-0.1 0.645 91.2 46.6 -49.9 -28.5 9.9 33.6 51.6 80 164 A E T 3> S+ 0 0 56 1,-0.1 4,-1.4 2,-0.1 3,-0.3 0.698 87.9 84.7 -93.7 -19.5 9.7 36.3 54.2 81 165 A V H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 5,-0.3 0.866 80.6 60.7 -51.0 -49.1 8.6 34.4 57.3 82 166 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.911 107.0 44.1 -47.3 -54.8 12.1 33.2 58.5 83 167 A E H > S+ 0 0 97 -3,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.874 114.0 50.9 -62.2 -37.5 13.5 36.7 59.0 84 168 A R H X S+ 0 0 33 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.932 113.2 43.4 -67.9 -44.2 10.4 37.9 60.7 85 169 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 111.9 55.7 -67.1 -38.6 10.2 35.1 63.1 86 170 A Y H < S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.918 107.4 49.2 -58.2 -45.0 14.0 35.4 63.7 87 171 A K H < S+ 0 0 165 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.945 111.0 49.4 -60.3 -49.9 13.6 39.0 64.7 88 172 A M H < S- 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 138.4 -9.0 -57.3 -44.1 10.7 38.3 67.1 89 173 A N >< - 0 0 55 -4,-2.5 3,-1.6 -5,-0.1 -1,-0.2 -0.669 56.2-171.3-161.3 97.6 12.7 35.4 68.8 90 174 A S T 3 S+ 0 0 49 -3,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.595 89.8 54.2 -68.2 -12.1 16.0 34.1 67.5 91 175 A S T 3 S+ 0 0 83 -5,-0.1 -1,-0.3 70,-0.1 -5,-0.1 0.267 79.1 132.5-104.1 9.4 16.0 31.2 70.0 92 176 A I < - 0 0 1 -3,-1.6 2,-0.4 -7,-0.2 -83,-0.2 -0.233 56.9-121.3 -61.5 149.5 12.5 29.9 69.1 93 177 A K E -c 9 0B 50 -85,-1.9 -83,-2.2 96,-0.0 2,-0.4 -0.768 24.3-154.0 -95.7 139.2 12.1 26.2 68.5 94 178 A L E -ce 10 166B 0 71,-3.1 73,-1.7 -2,-0.4 2,-0.4 -0.947 5.3-161.1-120.0 132.7 10.9 25.0 65.1 95 179 A L E -ce 11 167B 0 -85,-2.8 -83,-1.6 -2,-0.4 -82,-0.8 -0.918 5.8-173.7-112.5 132.0 9.0 21.8 64.3 96 180 A I E -ce 13 168B 0 71,-2.5 73,-3.1 -2,-0.4 2,-0.5 -0.990 4.3-165.7-125.4 124.4 8.8 20.3 60.8 97 181 A I E + e 0 169B 0 -84,-2.6 2,-0.3 -2,-0.4 -80,-0.2 -0.947 17.3 169.3-113.7 127.3 6.6 17.3 60.0 98 182 A V E - e 0 170B 0 71,-2.0 73,-3.2 -2,-0.5 74,-0.6 -0.930 14.9-172.3-134.2 156.1 7.1 15.5 56.8 99 183 A R - 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