==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-OCT-08 3ETS . COMPND 2 MOLECULE: ARYLSULFATE SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.MALOJCIC,R.L.OWEN,J.P.GRIMSHAW,R.GLOCKSHUBER . 1126 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 363 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 24 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 2 0.2 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 . 133 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 0 0 2 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 . 5 2 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 . 8 6 8 4 20 7 4 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 8 6 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 2 A G 0 0 93 0, 0.0 2,-0.5 0, 0.0 725,-0.0 0.000 360.0 360.0 360.0 -83.8 25.3 39.4 40.8 2 3 A F - 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.985 360.0-136.1-109.7 123.7 23.1 36.9 39.2 3 4 A K - 0 0 197 -2,-0.5 2,-0.1 1,-0.1 713,-0.0 -0.385 16.5-110.8 -77.4 154.1 24.4 35.6 35.9 4 5 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.322 52.2 -72.2 -68.8 160.2 22.5 35.1 32.7 5 6 A A - 0 0 60 1,-0.1 8,-0.3 -2,-0.1 3,-0.1 -0.318 58.4-124.4 -49.1 134.9 21.7 31.7 31.3 6 7 A P - 0 0 100 0, 0.0 8,-0.3 0, 0.0 -1,-0.1 -0.418 40.2 -71.8 -79.1 163.0 25.0 30.3 29.9 7 8 A P - 0 0 76 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.270 37.7-152.7 -56.6 139.0 25.3 29.1 26.3 8 9 A A S S- 0 0 60 4,-1.9 5,-0.1 -3,-0.1 4,-0.1 0.932 71.2 -30.0 -81.1 -49.9 23.5 25.8 25.7 9 10 A G S S- 0 0 39 3,-0.6 84,-0.1 84,-0.0 4,-0.0 0.158 114.1 -27.6-128.5-109.7 25.6 24.6 22.8 10 11 A Q S S+ 0 0 86 2,-0.0 2,-0.1 -2,-0.0 83,-0.0 0.443 127.5 40.4-100.0 -6.1 27.6 26.4 20.2 11 12 A L S S- 0 0 2 1,-0.4 19,-0.2 22,-0.0 20,-0.1 0.022 105.5 -60.0-108.2-132.8 25.4 29.6 20.1 12 13 A G - 0 0 2 17,-2.7 -4,-1.9 1,-0.3 -3,-0.6 -0.122 69.7 -53.3-101.0-164.5 23.9 31.3 23.1 13 14 A A - 0 0 10 -6,-0.3 16,-3.2 -8,-0.3 2,-0.6 -0.195 49.0-124.1 -61.7 162.5 21.4 30.4 25.9 14 15 A V E -A 28 0A 35 -8,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.963 28.9-162.4-116.9 108.3 18.0 28.9 25.0 15 16 A I E -A 27 0A 55 12,-3.0 12,-2.6 -2,-0.6 2,-0.5 -0.784 11.3-136.7 -97.4 133.7 15.3 31.0 26.5 16 17 A V E S-A 26 0A 57 -2,-0.4 10,-0.3 10,-0.2 8,-0.1 -0.773 82.6 -7.5 -91.8 128.6 11.7 29.7 26.9 17 18 A D S > S- 0 0 32 8,-2.1 3,-0.8 -2,-0.5 -1,-0.2 0.967 74.5-172.2 56.8 61.0 8.9 32.2 26.0 18 19 A P T 3 S+ 0 0 35 0, 0.0 -2,-0.1 0, 0.0 216,-0.1 0.887 82.0 39.8 -58.1 -45.0 11.3 35.1 25.5 19 20 A Y T 3 S- 0 0 56 214,-0.5 217,-0.1 3,-0.1 -2,-0.1 0.599 109.0-123.8 -79.0 -11.9 8.5 37.7 25.1 20 21 A G S < S+ 0 0 34 -3,-0.8 214,-0.1 2,-0.2 -3,-0.0 0.600 90.9 85.6 85.4 8.0 6.4 36.1 27.9 21 22 A N S S+ 0 0 33 212,-0.4 169,-2.4 1,-0.2 172,-0.2 0.451 82.8 52.3-116.5 -3.8 3.2 35.5 25.8 22 23 A A > - 0 0 0 211,-0.3 3,-1.1 167,-0.2 -5,-0.3 -0.750 56.2-179.8-142.0 83.8 3.9 32.1 24.2 23 24 A P T 3 S+ 0 0 22 0, 0.0 77,-0.5 0, 0.0 166,-0.1 0.487 80.0 61.1 -67.4 -10.3 5.0 29.4 26.7 24 25 A L T 3 S+ 0 0 0 164,-0.4 48,-1.5 75,-0.1 47,-0.6 -0.030 96.1 78.0-105.5 26.3 5.4 26.7 24.0 25 26 A T E < - B 0 70A 0 -3,-1.1 -8,-2.1 45,-0.2 2,-0.3 -0.863 55.8-176.1-126.1 164.7 8.1 28.7 22.2 26 27 A A E -AB 16 69A 0 43,-2.2 43,-3.5 -2,-0.3 2,-0.4 -0.958 14.3-138.3-150.2 172.2 11.8 29.3 22.8 27 28 A L E -AB 15 68A 0 -12,-2.6 -12,-3.0 -2,-0.3 2,-0.8 -0.999 7.8-143.7-141.3 132.2 14.7 31.2 21.5 28 29 A V E -AB 14 67A 0 39,-2.5 39,-2.4 -2,-0.4 -14,-0.2 -0.883 31.9-127.8 -92.4 109.2 18.3 30.3 20.9 29 30 A D E - B 0 66A 21 -16,-3.2 -17,-2.7 -2,-0.8 37,-0.3 -0.282 6.6-144.1 -56.9 137.6 20.3 33.4 21.7 30 31 A L > - 0 0 20 35,-2.1 3,-1.6 -19,-0.2 36,-0.2 0.837 15.6-158.3 -73.2 -33.4 22.7 34.3 18.9 31 32 A D T 3 - 0 0 18 34,-0.4 3,-0.1 1,-0.3 35,-0.1 0.916 69.3 -57.5 49.2 47.9 25.4 35.5 21.3 32 33 A S T 3 S+ 0 0 39 1,-0.2 -1,-0.3 33,-0.1 2,-0.2 0.607 98.3 145.7 64.5 10.7 27.0 37.7 18.5 33 34 A H < - 0 0 41 -3,-1.6 2,-0.8 1,-0.0 -1,-0.2 -0.568 47.0-135.9 -74.2 141.7 27.5 34.6 16.2 34 35 A V + 0 0 125 -2,-0.2 53,-0.3 -3,-0.1 2,-0.3 -0.862 39.4 163.6-104.2 107.7 27.1 35.4 12.5 35 36 A I + 0 0 9 -2,-0.8 2,-0.3 51,-0.1 51,-0.2 -0.779 18.0 173.5-129.7 161.6 25.0 32.6 10.9 36 37 A S E +C 85 0B 46 49,-1.8 49,-2.9 -2,-0.3 21,-0.1 -0.902 58.4 50.4-151.7 178.5 23.0 31.7 7.9 37 38 A D E S- 0 0 122 -2,-0.3 2,-0.2 47,-0.2 -1,-0.1 0.877 75.0-176.5 54.4 38.9 21.1 28.8 6.2 38 39 A V E + D 0 56B 6 18,-0.6 18,-1.8 46,-0.1 2,-0.4 -0.477 11.9 176.6 -80.5 138.3 19.3 28.2 9.5 39 40 A K E -CD 83 55B 90 44,-2.4 44,-2.9 16,-0.2 2,-0.4 -0.987 11.1-159.3-141.3 130.6 16.9 25.3 9.9 40 41 A V E -CD 82 54B 0 14,-2.9 14,-2.3 -2,-0.4 2,-0.4 -0.893 5.8-173.7-111.1 145.0 14.9 24.2 13.0 41 42 A T E -CD 81 53B 8 40,-2.2 40,-3.0 -2,-0.4 2,-0.6 -0.972 7.6-166.5-137.6 117.2 13.4 20.8 13.7 42 43 A V E -CD 80 52B 0 10,-3.3 10,-2.7 -2,-0.4 38,-0.2 -0.928 28.0-133.1 -99.9 119.8 11.2 20.1 16.7 43 44 A H - 0 0 49 36,-2.4 36,-0.3 -2,-0.6 7,-0.1 -0.429 21.9-101.2 -79.4 148.3 10.9 16.3 17.0 44 45 A G - 0 0 21 5,-0.4 2,-0.6 -2,-0.1 7,-0.1 -0.200 34.4-111.0 -60.7 151.8 7.5 14.5 17.5 45 46 A K S S- 0 0 74 5,-0.2 4,-0.3 3,-0.1 3,-0.2 -0.828 73.3 -35.0 -90.3 119.7 6.6 13.2 21.0 46 47 A G S > S- 0 0 49 -2,-0.6 3,-0.6 1,-0.2 -2,-0.1 -0.107 106.1 -25.8 70.0-160.0 6.6 9.5 21.0 47 48 A E T 3 S+ 0 0 193 1,-0.2 -1,-0.2 0, 0.0 -3,-0.1 0.906 139.0 22.0 -60.0 -59.2 5.6 6.9 18.4 48 49 A K T 3 S+ 0 0 112 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.294 89.5 143.5 -98.1 12.8 3.1 8.8 16.2 49 50 A G < - 0 0 24 -3,-0.6 2,-0.5 -4,-0.3 -5,-0.4 -0.227 51.7-121.1 -60.4 134.8 4.3 12.3 17.1 50 51 A V - 0 0 12 -7,-0.1 2,-0.2 -5,-0.1 -5,-0.2 -0.671 21.5-141.4 -79.2 120.0 4.3 15.0 14.4 51 52 A E - 0 0 107 -2,-0.5 2,-0.4 -7,-0.1 -8,-0.2 -0.550 11.1-148.6 -74.4 146.1 7.7 16.6 13.7 52 53 A I E +D 42 0B 6 -10,-2.7 -10,-3.3 -2,-0.2 2,-0.3 -0.992 21.6 173.4-123.0 124.0 7.7 20.4 13.0 53 54 A S E +D 41 0B 41 -2,-0.4 -12,-0.2 -12,-0.2 506,-0.1 -0.978 5.0 151.5-135.3 145.4 10.4 21.8 10.7 54 55 A Y E -D 40 0B 3 -14,-2.3 -14,-2.9 -2,-0.3 2,-0.2 -0.975 37.5-113.8-164.9 152.4 11.1 25.2 9.1 55 56 A P E -D 39 0B 71 0, 0.0 2,-0.5 0, 0.0 507,-0.3 -0.559 29.1-139.7 -81.7 157.7 13.8 27.5 7.8 56 57 A V E -D 38 0B 10 -18,-1.8 -18,-0.6 -2,-0.2 507,-0.2 -0.976 14.0-139.5-127.3 119.6 14.5 30.8 9.6 57 58 A G > - 0 0 21 505,-2.8 4,-2.3 -2,-0.5 3,-0.2 -0.143 22.8-111.0 -73.3 165.1 15.2 34.1 7.7 58 59 A Q H > S+ 0 0 82 505,-0.3 4,-2.9 1,-0.2 5,-0.2 0.903 115.8 58.4 -63.2 -40.9 17.7 36.8 8.3 59 60 A E H > S+ 0 0 44 504,-0.5 4,-2.3 2,-0.2 800,-0.4 0.890 109.2 46.0 -52.8 -41.3 15.1 39.3 9.3 60 61 A S H > S+ 0 0 1 2,-0.2 4,-3.0 502,-0.2 5,-0.4 0.951 110.6 51.8 -69.7 -46.9 13.9 36.9 12.0 61 62 A L H X>S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 5,-1.2 0.920 115.3 43.3 -51.3 -48.8 17.4 36.3 13.3 62 63 A K H <5S+ 0 0 54 -4,-2.9 748,-0.3 3,-0.2 -1,-0.2 0.873 114.5 48.9 -67.6 -37.9 18.0 40.0 13.5 63 64 A T H <5S+ 0 0 0 -4,-2.3 746,-0.6 796,-0.3 747,-0.4 0.911 122.5 32.0 -70.8 -42.3 14.6 40.8 15.1 64 65 A Y H <5S- 0 0 6 -4,-3.0 -1,-0.2 2,-0.3 -2,-0.2 0.561 97.4-133.0 -89.2 -13.7 14.8 38.1 17.8 65 66 A D T <5S+ 0 0 15 -4,-1.2 -35,-2.1 -5,-0.4 -34,-0.4 0.899 83.1 39.3 56.6 41.7 18.6 38.3 18.1 66 67 A G E - 0 0 5 1,-0.1 3,-0.5 3,-0.0 5,-0.2 -0.729 33.6-102.8 -97.6 157.2 4.8 20.4 23.6 74 75 A Q T 3 S+ 0 0 63 111,-0.4 27,-0.2 -2,-0.3 3,-0.1 -0.421 94.1 5.5 -79.7 151.3 3.8 21.5 27.1 75 76 A K T 3 S+ 0 0 149 25,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.883 107.9 118.5 50.3 46.6 5.2 20.1 30.3 76 77 A F S < S- 0 0 71 -3,-0.5 23,-1.6 24,-0.2 2,-1.2 -0.961 76.2-117.4-147.1 153.9 7.7 18.2 28.3 77 78 A A E - E 0 98B 36 -2,-0.3 21,-0.3 21,-0.2 -3,-0.1 -0.720 45.1-161.1 -91.1 84.0 11.4 17.6 27.5 78 79 A N E - E 0 97B 0 19,-1.9 19,-2.1 -2,-1.2 2,-0.5 -0.355 9.8-140.4 -72.0 145.8 11.3 18.6 23.9 79 80 A K E - E 0 96B 117 -36,-0.3 -36,-2.4 17,-0.2 2,-0.4 -0.952 26.2-178.6-109.1 125.4 14.1 17.5 21.6 80 81 A V E -CE 42 95B 1 15,-3.2 15,-3.3 -2,-0.5 2,-0.5 -0.979 15.8-157.9-131.9 137.7 15.1 20.2 19.1 81 82 A T E -CE 41 94B 11 -40,-3.0 -40,-2.2 -2,-0.4 2,-0.5 -0.962 6.7-169.7-117.4 131.0 17.7 20.3 16.4 82 83 A V E -CE 40 93B 0 11,-2.7 11,-2.4 -2,-0.5 2,-0.4 -0.968 4.6-173.4-118.9 125.6 19.1 23.5 15.0 83 84 A E E +CE 39 92B 79 -44,-2.9 -44,-2.4 -2,-0.5 2,-0.3 -0.936 14.6 150.5-117.0 140.5 21.3 23.5 11.9 84 85 A W E - E 0 91B 5 7,-2.1 7,-2.7 -2,-0.4 2,-0.4 -0.939 40.0-112.1-152.1 176.2 23.2 26.5 10.4 85 86 A K E +CE 36 90B 38 -49,-2.9 -49,-1.8 -2,-0.3 2,-0.3 -0.960 32.5 172.1-115.8 134.5 26.2 27.7 8.4 86 87 A E E > S- E 0 89B 24 3,-2.4 3,-1.5 -2,-0.4 -51,-0.1 -0.913 70.3 -9.2-149.9 119.7 28.9 29.7 10.1 87 88 A N T 3 S- 0 0 157 -53,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.877 126.0 -62.8 59.3 38.5 32.3 30.7 8.5 88 89 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.337 114.1 120.6 68.9 -9.3 31.3 28.4 5.7 89 90 A K E < -E 86 0B 115 -3,-1.5 -3,-2.4 1,-0.0 2,-0.4 -0.588 67.5-118.3 -82.8 145.7 31.4 25.4 8.1 90 91 A V E -E 85 0B 118 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.729 36.8-171.5 -85.4 133.0 28.2 23.3 8.6 91 92 A M E +E 84 0B 26 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.3 -0.930 12.1 180.0-131.7 149.3 27.0 23.3 12.2 92 93 A K E -E 83 0B 112 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.990 4.3-173.6-151.7 138.5 24.4 21.5 14.3 93 94 A D E -E 82 0B 16 -11,-2.4 -11,-2.7 -2,-0.3 2,-0.5 -0.983 11.5-154.2-131.5 146.0 23.1 21.5 17.8 94 95 A D E -E 81 0B 99 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.995 20.4-171.4-116.6 124.2 20.6 19.3 19.6 95 96 A Y E -E 80 0B 16 -15,-3.3 -15,-3.2 -2,-0.5 2,-0.7 -0.916 23.7-144.8-119.7 143.4 18.8 20.8 22.5 96 97 A V E -E 79 0B 92 -2,-0.4 2,-0.8 -17,-0.2 -17,-0.2 -0.927 25.3-169.5-102.6 108.7 16.6 19.5 25.1 97 98 A V E -E 78 0B 6 -19,-2.1 -19,-1.9 -2,-0.7 2,-0.2 -0.851 5.8-156.1-108.9 99.2 14.1 22.2 25.8 98 99 A H E -E 77 0B 125 -2,-0.8 2,-0.2 -21,-0.3 -21,-0.2 -0.557 12.8-165.1 -71.0 138.4 11.8 21.8 28.8 99 100 A T - 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