==== 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 3ETT . COMPND 2 MOLECULE: ARYLSULFATE SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.MALOJCIC,R.L.OWEN,J.P.GRIMSHAW,R.GLOCKSHUBER . 1129 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 362 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 1 0.1 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 . 128 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 10.0 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 0 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 . 2 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 . 7 7 9 3 20 6 6 2 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 . 7 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,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.8 24.8 39.7 40.4 2 3 A F - 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.997 360.0-130.9-119.4 131.4 23.1 36.7 38.7 3 4 A K - 0 0 200 -2,-0.4 2,-0.1 1,-0.1 715,-0.0 -0.454 24.0-104.1 -81.0 155.4 24.6 35.7 35.5 4 5 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.374 53.0 -76.3 -68.0 153.5 22.6 35.1 32.3 5 6 A A - 0 0 60 1,-0.1 8,-0.3 -2,-0.1 3,-0.1 -0.224 58.3-121.0 -42.0 133.8 21.8 31.6 31.2 6 7 A P - 0 0 99 0, 0.0 8,-0.3 0, 0.0 -1,-0.1 -0.358 39.4 -71.5 -82.6 169.1 25.0 30.2 29.6 7 8 A P - 0 0 76 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.287 35.8-150.4 -64.9 143.9 25.2 29.0 26.1 8 9 A A S S- 0 0 57 4,-2.2 5,-0.1 -3,-0.1 4,-0.1 0.932 71.2 -33.2 -81.8 -50.9 23.5 25.7 25.4 9 10 A G S S- 0 0 40 3,-0.6 84,-0.1 84,-0.1 86,-0.0 0.088 114.2 -23.0-133.0-107.5 25.7 24.5 22.6 10 11 A Q S S+ 0 0 93 -2,-0.0 2,-0.1 -3,-0.0 83,-0.0 0.350 127.8 37.8-102.2 1.9 27.6 26.3 19.9 11 12 A L S S- 0 0 2 1,-0.4 19,-0.2 22,-0.0 20,-0.1 -0.116 105.9 -61.9-118.8-139.0 25.4 29.5 19.9 12 13 A G S S- 0 0 1 17,-2.8 -4,-2.2 1,-0.3 -3,-0.6 -0.041 71.4 -47.1 -98.3-159.6 23.9 31.2 23.0 13 14 A A - 0 0 9 -6,-0.3 16,-3.0 -8,-0.3 2,-0.6 -0.192 49.4-123.7 -62.2 157.5 21.4 30.3 25.7 14 15 A V E -A 28 0A 36 -8,-0.3 2,-0.5 14,-0.2 14,-0.3 -0.965 30.5-162.4-108.5 107.1 18.1 28.6 24.8 15 16 A I E -A 27 0A 57 12,-3.5 12,-2.5 -2,-0.6 2,-0.5 -0.812 11.1-137.4 -98.8 128.3 15.3 30.8 26.3 16 17 A V E S-A 26 0A 57 -2,-0.5 10,-0.3 1,-0.3 8,-0.1 -0.724 81.8 -9.9 -88.2 131.0 11.8 29.5 26.7 17 18 A D S S- 0 0 35 8,-2.3 3,-0.5 -2,-0.5 -1,-0.3 0.954 73.1-172.1 54.5 61.1 9.0 32.0 25.8 18 19 A P S S+ 0 0 36 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.879 80.9 41.7 -55.7 -43.0 11.3 35.0 25.3 19 20 A Y S S- 0 0 54 214,-0.6 217,-0.1 3,-0.1 -2,-0.1 0.619 106.4-124.0 -84.2 -14.9 8.4 37.5 24.9 20 21 A G S S+ 0 0 34 -3,-0.5 214,-0.1 2,-0.2 215,-0.0 0.501 91.7 84.4 92.8 2.1 6.3 36.0 27.6 21 22 A N S S+ 0 0 34 212,-0.4 169,-2.6 1,-0.2 172,-0.2 0.487 82.4 51.4-117.2 -1.2 3.2 35.4 25.5 22 23 A A > - 0 0 0 211,-0.3 3,-1.2 167,-0.2 -5,-0.2 -0.780 56.4-176.9-140.3 82.2 3.9 32.0 23.8 23 24 A P T 3 S+ 0 0 22 0, 0.0 77,-0.4 0, 0.0 166,-0.1 0.600 80.5 59.3 -64.2 -9.8 4.9 29.3 26.4 24 25 A L T 3 S+ 0 0 0 164,-0.4 48,-1.6 75,-0.1 47,-0.6 -0.122 95.8 81.4-107.8 32.3 5.5 26.5 23.7 25 26 A T E < - B 0 70A 0 -3,-1.2 -8,-2.3 45,-0.2 2,-0.3 -0.880 54.6-176.5-131.3 160.5 8.2 28.6 21.9 26 27 A A E -AB 16 69A 0 43,-2.0 43,-3.4 -2,-0.3 2,-0.4 -0.958 14.7-137.9-149.1 171.6 11.8 29.1 22.6 27 28 A L E -AB 15 68A 0 -12,-2.5 -12,-3.5 -2,-0.3 2,-0.9 -0.996 7.0-145.2-143.1 122.8 14.7 31.1 21.3 28 29 A V E -AB 14 67A 0 39,-2.9 39,-2.4 -2,-0.4 -14,-0.2 -0.852 31.9-129.4 -84.3 109.5 18.3 30.2 20.7 29 30 A D E - B 0 66A 22 -16,-3.0 -17,-2.8 -2,-0.9 37,-0.3 -0.323 4.4-141.5 -63.7 138.6 20.3 33.4 21.4 30 31 A L > - 0 0 18 35,-2.1 3,-2.1 -19,-0.2 36,-0.2 0.794 17.0-160.2 -74.8 -25.9 22.7 34.3 18.7 31 32 A D T 3 S- 0 0 20 34,-0.4 35,-0.1 1,-0.3 806,-0.1 0.894 70.7 -56.1 40.8 45.0 25.4 35.4 21.2 32 33 A S T 3 S+ 0 0 40 1,-0.2 -1,-0.3 33,-0.1 2,-0.2 0.509 98.0 144.9 73.0 7.8 27.1 37.5 18.4 33 34 A H < - 0 0 39 -3,-2.1 2,-0.7 1,-0.1 -1,-0.2 -0.519 46.8-136.1 -77.0 146.7 27.5 34.5 16.0 34 35 A V + 0 0 123 -2,-0.2 53,-0.4 2,-0.0 2,-0.3 -0.887 39.6 162.8-106.8 110.7 27.1 35.2 12.3 35 36 A I + 0 0 10 -2,-0.7 2,-0.3 51,-0.1 51,-0.2 -0.805 17.8 176.6-130.5 165.1 25.0 32.5 10.7 36 37 A S E +C 85 0B 50 49,-1.7 49,-2.4 -2,-0.3 21,-0.0 -0.882 58.0 47.1-154.7-177.1 23.0 31.6 7.7 37 38 A D E S- 0 0 145 -2,-0.3 2,-0.2 47,-0.2 -1,-0.2 0.904 75.3-173.1 34.2 61.9 21.0 28.9 6.0 38 39 A V E + D 0 56B 5 18,-0.7 18,-1.5 46,-0.1 2,-0.3 -0.583 13.2 178.8 -87.9 139.9 19.2 28.2 9.3 39 40 A K E -CD 83 55B 93 44,-2.3 44,-2.8 -2,-0.2 2,-0.4 -0.986 9.9-160.7-140.9 131.4 16.8 25.2 9.8 40 41 A V E -CD 82 54B 0 14,-2.9 14,-2.2 -2,-0.3 2,-0.4 -0.916 5.3-173.8-113.4 140.9 14.9 24.1 12.9 41 42 A T E -CD 81 53B 9 40,-2.1 40,-2.5 -2,-0.4 2,-0.6 -0.975 8.2-165.8-131.5 116.2 13.3 20.7 13.6 42 43 A V E -CD 80 52B 0 10,-3.1 10,-2.6 -2,-0.4 2,-0.2 -0.928 29.8-130.8 -96.4 122.2 11.2 19.9 16.6 43 44 A H - 0 0 43 36,-2.4 36,-0.4 -2,-0.6 7,-0.1 -0.517 22.1-100.4 -78.4 140.5 11.0 16.1 16.8 44 45 A G - 0 0 23 5,-0.4 2,-0.6 -2,-0.2 7,-0.1 -0.122 33.9-118.2 -48.9 148.3 7.7 14.2 17.2 45 46 A K S S- 0 0 75 5,-0.2 4,-0.3 3,-0.1 3,-0.2 -0.866 73.4 -21.3 -94.5 119.9 6.8 13.0 20.7 46 47 A G S > S- 0 0 45 -2,-0.6 3,-1.1 1,-0.2 -2,-0.0 -0.059 106.5 -41.1 75.8 177.8 6.5 9.2 20.8 47 48 A E T 3 S+ 0 0 193 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.847 140.8 28.4 -40.6 -56.8 5.9 6.7 18.0 48 49 A K T 3 S+ 0 0 102 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.314 88.3 139.0 -98.9 8.6 3.3 8.7 16.0 49 50 A G < - 0 0 24 -3,-1.1 2,-0.4 -4,-0.3 -5,-0.4 -0.208 53.6-119.3 -57.4 140.3 4.4 12.3 17.1 50 51 A V - 0 0 13 -7,-0.1 2,-0.3 -5,-0.1 -5,-0.2 -0.697 20.3-137.8 -85.4 127.3 4.4 14.9 14.3 51 52 A E - 0 0 108 -2,-0.4 2,-0.5 -7,-0.1 -8,-0.2 -0.644 10.9-154.5 -77.6 142.3 7.7 16.6 13.4 52 53 A I E +D 42 0B 6 -10,-2.6 -10,-3.1 -2,-0.3 2,-0.4 -0.987 21.1 169.4-118.9 126.0 7.7 20.4 12.8 53 54 A S E +D 41 0B 37 -2,-0.5 -12,-0.2 -12,-0.2 508,-0.1 -0.996 2.5 151.9-138.8 142.5 10.5 21.6 10.6 54 55 A Y E -D 40 0B 4 -14,-2.2 -14,-2.9 -2,-0.4 2,-0.2 -0.977 38.3-111.0-163.6 154.2 11.1 25.0 8.9 55 56 A P E -D 39 0B 72 0, 0.0 2,-0.5 0, 0.0 509,-0.3 -0.571 26.4-140.4 -81.5 158.4 13.7 27.4 7.6 56 57 A V E -D 38 0B 9 -18,-1.5 -18,-0.7 -2,-0.2 509,-0.2 -0.978 15.9-141.5-124.9 114.5 14.5 30.8 9.4 57 58 A G > - 0 0 21 507,-2.6 4,-2.0 -2,-0.5 3,-0.5 -0.169 24.0-108.2 -68.4 162.8 15.2 33.9 7.3 58 59 A Q H > S+ 0 0 84 507,-0.3 4,-2.9 1,-0.2 5,-0.3 0.902 116.6 58.1 -60.6 -43.7 17.7 36.6 8.0 59 60 A E H > S+ 0 0 41 506,-0.5 4,-2.5 1,-0.2 802,-0.4 0.859 108.4 48.1 -50.3 -40.8 15.1 39.2 9.0 60 61 A S H > S+ 0 0 2 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.909 109.6 50.3 -70.3 -44.7 14.0 36.8 11.7 61 62 A L H X>S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 5,-1.2 0.936 115.8 44.1 -57.7 -47.5 17.5 36.1 13.0 62 63 A K H <5S+ 0 0 47 -4,-2.9 750,-0.3 2,-0.2 -2,-0.2 0.918 114.3 48.9 -62.7 -43.2 18.1 39.9 13.2 63 64 A T H <5S+ 0 0 1 -4,-2.5 748,-0.6 798,-0.3 749,-0.4 0.933 123.6 30.6 -66.3 -46.8 14.7 40.7 14.7 64 65 A Y H <5S- 0 0 7 -4,-2.9 -1,-0.2 2,-0.3 -2,-0.2 0.633 96.1-135.4 -84.9 -13.1 14.9 38.0 17.5 65 66 A D T <5S+ 0 0 15 -4,-1.6 -35,-2.1 -5,-0.3 -34,-0.4 0.914 82.4 43.4 52.1 46.4 18.7 38.2 17.7 66 67 A G E - 0 0 5 1,-0.1 3,-0.7 113,-0.0 5,-0.2 -0.760 31.9-106.2-100.3 151.1 4.8 20.3 23.4 74 75 A Q T 3 S+ 0 0 64 111,-0.4 27,-0.2 -2,-0.3 3,-0.1 -0.394 95.8 5.9 -69.7 150.3 3.7 21.4 26.8 75 76 A K T 3 S+ 0 0 147 25,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.849 107.3 121.8 52.1 43.7 5.2 20.0 30.0 76 77 A F S < S- 0 0 66 -3,-0.7 23,-1.5 24,-0.2 2,-1.3 -0.940 74.5-120.6-143.9 150.8 7.8 18.0 27.9 77 78 A A E - E 0 98B 37 -2,-0.3 21,-0.3 21,-0.2 -3,-0.1 -0.721 47.4-158.3 -89.5 79.9 11.5 17.5 27.4 78 79 A N E - E 0 97B 0 19,-2.0 19,-2.4 -2,-1.3 2,-0.6 -0.311 9.5-138.7 -64.1 145.1 11.3 18.6 23.7 79 80 A K E - E 0 96B 123 -36,-0.4 -36,-2.4 17,-0.2 2,-0.4 -0.946 27.6-179.6-109.3 117.5 14.1 17.4 21.4 80 81 A V E -CE 42 95B 1 15,-2.9 15,-3.3 -2,-0.6 2,-0.5 -0.968 15.0-161.9-124.9 137.0 15.1 20.2 19.0 81 82 A T E -CE 41 94B 8 -40,-2.5 -40,-2.1 -2,-0.4 2,-0.5 -0.973 5.9-168.9-117.6 128.8 17.7 20.2 16.3 82 83 A V E -CE 40 93B 0 11,-2.4 11,-2.0 -2,-0.5 2,-0.4 -0.957 4.4-172.8-118.0 125.9 19.1 23.4 14.8 83 84 A E E +CE 39 92B 70 -44,-2.8 -44,-2.3 -2,-0.5 2,-0.3 -0.935 15.2 147.4-119.2 144.1 21.3 23.5 11.7 84 85 A W E - E 0 91B 6 7,-1.9 7,-2.8 -2,-0.4 2,-0.4 -0.941 41.0-110.3-156.8 173.0 23.1 26.4 10.2 85 86 A K E +CE 36 90B 55 -49,-2.4 -49,-1.7 -2,-0.3 2,-0.3 -0.951 33.8 170.6-112.9 138.2 26.2 27.6 8.2 86 87 A E E > - E 0 89B 25 3,-2.3 3,-1.7 -2,-0.4 -51,-0.1 -0.923 68.1 -5.3-151.9 126.5 28.9 29.6 9.9 87 88 A N T 3 S- 0 0 155 -53,-0.4 3,-0.1 -2,-0.3 -52,-0.1 0.873 127.9 -60.5 57.2 37.8 32.3 30.5 8.5 88 89 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.214 115.2 117.5 77.4 -16.5 31.6 28.4 5.5 89 90 A K E < -E 86 0B 122 -3,-1.7 -3,-2.3 1,-0.0 2,-0.3 -0.585 68.3-119.4 -88.8 143.2 31.2 25.3 7.8 90 91 A V E -E 85 0B 121 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.640 38.7-171.4 -79.2 136.5 28.0 23.2 8.3 91 92 A M E +E 84 0B 29 -7,-2.8 -7,-1.9 -2,-0.3 2,-0.3 -0.916 13.1 179.9-135.6 154.1 26.9 23.2 11.9 92 93 A K E -E 83 0B 107 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.975 5.7-174.0-159.8 140.0 24.4 21.5 14.1 93 94 A D E -E 82 0B 14 -11,-2.0 -11,-2.4 -2,-0.3 2,-0.4 -0.974 11.9-152.8-132.2 147.6 23.1 21.4 17.7 94 95 A D E -E 81 0B 93 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.988 20.2-173.6-118.8 130.1 20.7 19.2 19.5 95 96 A Y E -E 80 0B 16 -15,-3.3 -15,-2.9 -2,-0.4 2,-0.6 -0.940 25.4-140.3-123.4 147.0 18.9 20.7 22.5 96 97 A V E -E 79 0B 97 -2,-0.4 2,-0.8 -17,-0.2 -17,-0.2 -0.948 25.7-166.5-102.0 118.1 16.6 19.4 25.0 97 98 A V E -E 78 0B 5 -19,-2.4 -19,-2.0 -2,-0.6 2,-0.3 -0.856 3.1-159.6-115.8 96.3 14.0 22.1 25.6 98 99 A H E -E 77 0B 126 -2,-0.8 2,-0.3 -21,-0.3 -21,-0.2 -0.603 12.3-168.3 -71.1 135.0 11.8 21.7 28.6 99 100 A T - 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