==== 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 23-SEP-08 3ELQ . 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) . 43140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 62.8 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 . 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 . 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 . 122 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 2.9 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 3 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 . 8 6 10 2 19 7 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 . 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 96 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.4 24.8 39.6 40.6 2 3 A F - 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.994 360.0-133.0-114.9 129.0 23.0 36.8 38.9 3 4 A K - 0 0 198 -2,-0.5 714,-0.0 1,-0.1 0, 0.0 -0.412 23.4-101.5 -79.0 155.3 24.5 35.9 35.6 4 5 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.291 55.5 -75.9 -63.7 159.1 22.5 35.3 32.4 5 6 A A - 0 0 62 1,-0.1 8,-0.3 8,-0.0 3,-0.1 -0.318 57.5-120.8 -50.2 136.9 21.7 31.8 31.3 6 7 A P - 0 0 102 0, 0.0 8,-0.3 0, 0.0 -1,-0.1 -0.381 40.4 -72.7 -80.5 166.9 25.0 30.3 29.7 7 8 A P - 0 0 75 0, 0.0 6,-0.3 0, 0.0 5,-0.2 -0.303 34.5-150.5 -64.8 144.4 25.2 29.0 26.2 8 9 A A S S- 0 0 57 4,-2.5 5,-0.1 -3,-0.1 4,-0.1 0.931 71.9 -33.3 -80.7 -50.3 23.4 25.7 25.5 9 10 A G S S- 0 0 42 3,-0.7 84,-0.1 84,-0.1 86,-0.0 0.090 113.5 -22.9-132.0-108.2 25.6 24.5 22.7 10 11 A Q S S+ 0 0 91 -2,-0.0 2,-0.1 -3,-0.0 83,-0.0 0.390 127.4 38.1-101.6 -1.1 27.6 26.4 20.0 11 12 A L S S- 0 0 3 1,-0.4 19,-0.2 22,-0.0 20,-0.1 -0.063 106.4 -62.0-116.1-136.1 25.4 29.6 19.9 12 13 A G S S- 0 0 2 17,-2.7 -4,-2.5 1,-0.3 -3,-0.7 0.033 71.1 -48.9 -98.4-154.3 23.9 31.3 23.0 13 14 A A - 0 0 9 -6,-0.3 16,-3.3 -8,-0.3 2,-0.6 -0.341 47.7-124.4 -71.9 160.9 21.4 30.3 25.7 14 15 A V E -A 28 0A 36 -8,-0.3 2,-0.4 14,-0.2 14,-0.3 -0.956 30.0-163.9-108.8 109.8 18.0 28.7 24.8 15 16 A I E -A 27 0A 56 12,-3.1 12,-2.6 -2,-0.6 2,-0.5 -0.821 12.1-136.4 -99.9 131.2 15.3 30.9 26.4 16 17 A V E S-A 26 0A 56 -2,-0.4 10,-0.3 1,-0.2 8,-0.1 -0.752 82.2 -5.5 -88.8 131.4 11.8 29.6 26.8 17 18 A D S S- 0 0 34 8,-2.5 3,-0.4 -2,-0.5 -1,-0.2 0.975 73.5-170.0 55.0 65.3 9.0 32.0 25.9 18 19 A P S S+ 0 0 33 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.831 82.1 37.0 -58.6 -36.4 11.3 35.0 25.3 19 20 A Y S S- 0 0 55 214,-0.6 217,-0.1 3,-0.1 215,-0.1 0.577 107.2-121.9 -93.6 -12.4 8.4 37.6 25.0 20 21 A G S S+ 0 0 35 -3,-0.4 214,-0.1 2,-0.2 215,-0.1 0.494 92.2 86.8 92.3 5.9 6.3 36.1 27.8 21 22 A N S S+ 0 0 31 212,-0.3 169,-2.9 1,-0.2 172,-0.2 0.466 82.6 50.0-116.1 -6.4 3.2 35.5 25.6 22 23 A A > - 0 0 0 211,-0.3 3,-1.2 167,-0.2 -5,-0.2 -0.811 56.9-177.1-139.0 88.1 3.9 32.1 24.0 23 24 A P T 3 S+ 0 0 21 0, 0.0 77,-0.5 0, 0.0 166,-0.1 0.631 81.1 60.4 -66.8 -14.0 4.9 29.4 26.5 24 25 A L T 3 S+ 0 0 0 164,-0.4 48,-1.5 75,-0.1 47,-0.5 -0.055 94.8 81.5-104.7 29.2 5.5 26.7 23.9 25 26 A T E < - B 0 70A 0 -3,-1.2 -8,-2.5 45,-0.1 2,-0.3 -0.876 54.5-175.2-125.4 163.6 8.2 28.7 22.1 26 27 A A E -AB 16 69A 0 43,-2.0 43,-3.8 -2,-0.3 2,-0.4 -0.957 13.9-139.8-151.0 166.4 11.8 29.2 22.7 27 28 A L E -AB 15 68A 0 -12,-2.6 -12,-3.1 -2,-0.3 2,-0.8 -0.996 7.3-146.0-137.9 126.6 14.7 31.2 21.4 28 29 A V E -AB 14 67A 0 39,-2.7 39,-2.6 -2,-0.4 -14,-0.2 -0.854 33.2-127.9 -88.8 110.2 18.3 30.2 20.8 29 30 A D E - B 0 66A 21 -16,-3.3 -17,-2.7 -2,-0.8 37,-0.3 -0.287 5.6-142.3 -59.6 140.0 20.3 33.4 21.5 30 31 A L > - 0 0 23 35,-2.2 3,-1.9 -19,-0.2 36,-0.2 0.828 16.3-161.3 -76.4 -31.8 22.7 34.4 18.7 31 32 A D T 3 S- 0 0 20 34,-0.4 35,-0.1 1,-0.3 804,-0.1 0.895 70.5 -56.4 47.5 46.6 25.4 35.6 21.1 32 33 A S T 3 S+ 0 0 36 1,-0.2 -1,-0.3 33,-0.1 2,-0.2 0.550 97.4 146.3 66.4 12.6 27.0 37.6 18.3 33 34 A H < - 0 0 39 -3,-1.9 2,-0.7 1,-0.0 -1,-0.2 -0.558 46.1-137.2 -77.1 142.6 27.4 34.6 16.0 34 35 A V + 0 0 122 -2,-0.2 53,-0.4 2,-0.0 2,-0.3 -0.896 39.8 163.0-101.2 108.6 27.1 35.3 12.3 35 36 A I + 0 0 10 -2,-0.7 2,-0.3 51,-0.1 51,-0.2 -0.790 17.7 177.1-127.1 167.3 25.0 32.5 10.8 36 37 A S E +C 85 0B 43 49,-1.8 49,-2.6 -2,-0.3 21,-0.1 -0.912 57.7 47.4-155.2 177.2 23.0 31.6 7.7 37 38 A D E S- 0 0 129 -2,-0.3 2,-0.3 47,-0.2 -1,-0.1 0.909 74.2-173.8 47.1 51.3 21.0 28.8 6.1 38 39 A V E + D 0 56B 7 18,-0.6 18,-1.8 46,-0.1 2,-0.4 -0.600 12.6 176.0 -84.5 132.8 19.1 28.2 9.4 39 40 A K E -CD 83 55B 96 44,-2.4 44,-2.6 -2,-0.3 2,-0.4 -1.000 10.7-160.6-133.1 134.3 16.7 25.3 9.8 40 41 A V E -CD 82 54B 0 14,-3.2 14,-2.3 -2,-0.4 2,-0.4 -0.933 5.1-172.8-116.3 141.9 14.8 24.2 12.9 41 42 A T E -CD 81 53B 8 40,-2.1 40,-2.6 -2,-0.4 2,-0.6 -0.978 8.5-165.1-132.2 118.0 13.3 20.8 13.6 42 43 A V E -CD 80 52B 0 10,-3.6 10,-2.7 -2,-0.4 38,-0.2 -0.932 29.1-132.5 -97.4 118.0 11.1 20.0 16.6 43 44 A H - 0 0 47 36,-2.4 36,-0.3 -2,-0.6 7,-0.1 -0.348 22.4 -99.2 -76.1 148.5 10.9 16.2 16.9 44 45 A G - 0 0 23 5,-0.4 2,-0.6 1,-0.1 7,-0.1 -0.280 32.6-117.2 -62.5 148.9 7.6 14.4 17.4 45 46 A K S S- 0 0 74 5,-0.2 4,-0.4 3,-0.1 3,-0.2 -0.816 74.5 -23.5 -88.7 123.7 6.6 13.2 20.8 46 47 A G S S- 0 0 48 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.231 106.8 -39.8 71.7-157.9 6.3 9.4 20.9 47 48 A E S S+ 0 0 193 1,-0.2 -1,-0.2 3,-0.0 -3,-0.1 0.870 139.0 27.4 -82.4 -42.6 5.7 7.0 18.1 48 49 A K S S+ 0 0 103 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.304 88.7 139.6-101.6 6.8 3.1 8.9 16.0 49 50 A G - 0 0 23 -4,-0.4 2,-0.4 -3,-0.1 -5,-0.4 -0.211 54.5-118.0 -55.8 137.8 4.3 12.4 17.1 50 51 A V - 0 0 11 -7,-0.1 2,-0.3 -5,-0.1 -5,-0.2 -0.623 20.4-136.6 -83.7 130.0 4.3 15.0 14.3 51 52 A E - 0 0 109 -2,-0.4 2,-0.5 -7,-0.1 -8,-0.2 -0.634 12.0-153.0 -80.0 141.7 7.7 16.6 13.5 52 53 A I E +D 42 0B 6 -10,-2.7 -10,-3.6 -2,-0.3 2,-0.3 -0.987 22.3 168.7-118.3 124.9 7.7 20.4 13.0 53 54 A S E +D 41 0B 31 -2,-0.5 -12,-0.2 -12,-0.2 507,-0.1 -0.987 2.5 148.6-138.6 145.5 10.4 21.7 10.7 54 55 A Y E -D 40 0B 1 -14,-2.3 -14,-3.2 -2,-0.3 2,-0.2 -0.975 38.4-109.0-168.9 155.3 11.1 25.1 9.0 55 56 A P E -D 39 0B 53 0, 0.0 2,-0.4 0, 0.0 508,-0.4 -0.547 24.2-145.8 -83.7 159.5 13.7 27.6 7.7 56 57 A V E -D 38 0B 9 -18,-1.8 -18,-0.6 -2,-0.2 508,-0.2 -0.986 14.3-146.4-129.9 117.6 14.4 30.9 9.4 57 58 A G > - 0 0 30 506,-2.6 4,-1.8 -2,-0.4 3,-0.5 -0.199 28.8 -99.2 -80.0 174.0 15.3 34.0 7.3 58 59 A Q H > S+ 0 0 84 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.868 117.0 58.3 -65.6 -40.8 17.7 36.8 8.2 59 60 A E H > S+ 0 0 45 505,-0.4 4,-2.5 1,-0.2 801,-0.5 0.841 108.7 48.0 -56.5 -36.6 15.1 39.4 9.3 60 61 A S H > S+ 0 0 2 504,-1.2 4,-3.1 -3,-0.5 5,-0.3 0.927 110.9 49.6 -70.7 -46.5 13.9 36.9 11.9 61 62 A L H X>S+ 0 0 2 -4,-1.8 4,-1.5 503,-0.3 5,-1.2 0.933 116.7 43.1 -56.0 -47.5 17.4 36.2 13.1 62 63 A K H <5S+ 0 0 52 -4,-3.1 749,-0.3 2,-0.2 -2,-0.2 0.877 115.2 48.3 -66.2 -39.4 18.0 39.9 13.3 63 64 A T H <5S+ 0 0 1 -4,-2.5 747,-0.6 797,-0.3 748,-0.4 0.911 122.6 32.5 -70.7 -43.8 14.6 40.8 14.9 64 65 A Y H <5S- 0 0 7 -4,-3.1 -1,-0.2 2,-0.3 -2,-0.2 0.619 97.1-134.3 -85.9 -16.2 14.8 38.1 17.6 65 66 A D T <5S+ 0 0 11 -4,-1.5 -35,-2.2 -5,-0.3 -34,-0.4 0.905 82.3 37.9 57.5 42.5 18.6 38.2 18.0 66 67 A G E - 0 0 6 1,-0.1 3,-0.5 -2,-0.1 5,-0.2 -0.719 33.5-105.1 -92.9 151.6 4.7 20.4 23.5 74 75 A Q T 3 S+ 0 0 65 111,-0.4 27,-0.2 -2,-0.3 3,-0.1 -0.413 94.4 6.0 -72.9 148.5 3.7 21.5 26.9 75 76 A K T 3 S+ 0 0 146 25,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.877 106.7 117.1 55.3 48.7 5.2 20.1 30.1 76 77 A F S < S- 0 0 67 -3,-0.5 2,-1.5 24,-0.2 23,-1.4 -0.981 76.7-114.4-152.3 150.6 7.8 18.1 28.1 77 78 A A E - E 0 98B 38 -2,-0.3 21,-0.3 21,-0.2 -3,-0.1 -0.684 47.7-158.4 -87.9 80.7 11.4 17.6 27.5 78 79 A N E - E 0 97B 0 19,-1.9 19,-2.4 -2,-1.5 2,-0.6 -0.308 9.1-139.2 -63.7 143.6 11.2 18.6 23.8 79 80 A K E + E 0 96B 120 -36,-0.3 -36,-2.4 17,-0.2 2,-0.4 -0.945 27.9 178.8-107.8 120.8 14.0 17.4 21.5 80 81 A V E -CE 42 95B 1 15,-3.2 15,-3.6 -2,-0.6 2,-0.5 -0.977 16.1-161.4-129.4 135.6 15.0 20.2 19.1 81 82 A T E -CE 41 94B 10 -40,-2.6 -40,-2.1 -2,-0.4 2,-0.5 -0.978 5.6-168.0-119.8 126.2 17.7 20.3 16.4 82 83 A V E -CE 40 93B 0 11,-2.6 11,-2.4 -2,-0.5 2,-0.4 -0.962 5.8-172.2-115.6 126.5 19.1 23.5 15.0 83 84 A E E +CE 39 92B 73 -44,-2.6 -44,-2.4 -2,-0.5 2,-0.3 -0.929 15.2 148.3-117.6 142.0 21.2 23.5 11.8 84 85 A W E - E 0 91B 6 7,-2.0 7,-3.2 -2,-0.4 2,-0.4 -0.943 41.1-111.2-155.6 176.8 23.1 26.4 10.3 85 86 A K E +CE 36 90B 42 -49,-2.6 -49,-1.8 -2,-0.3 2,-0.3 -0.985 34.9 168.1-117.7 133.9 26.1 27.6 8.3 86 87 A E E > - E 0 89B 23 3,-2.2 3,-2.0 -2,-0.4 -51,-0.1 -0.979 67.3 -4.2-148.4 130.7 28.9 29.6 10.0 87 88 A N T 3 S- 0 0 156 -53,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.887 128.5 -59.3 52.7 40.5 32.4 30.5 8.7 88 89 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.373 114.9 114.5 74.7 -3.1 31.7 28.4 5.6 89 90 A K E < S-E 86 0B 111 -3,-2.0 -3,-2.2 1,-0.0 2,-0.4 -0.739 70.5-116.3-105.8 145.5 31.1 25.2 7.7 90 91 A V E -E 85 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.670 40.3-171.8 -78.7 131.2 28.0 23.2 8.3 91 92 A M E +E 84 0B 26 -7,-3.2 -7,-2.0 -2,-0.4 2,-0.3 -0.876 12.7 178.0-129.1 155.3 26.9 23.3 11.9 92 93 A K E -E 83 0B 104 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.970 6.8-173.7-158.2 140.5 24.3 21.5 14.1 93 94 A D E -E 82 0B 17 -11,-2.4 -11,-2.6 -2,-0.3 2,-0.5 -0.985 13.0-150.6-130.4 146.5 23.1 21.5 17.8 94 95 A D E -E 81 0B 97 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.976 21.2-171.4-111.2 130.7 20.6 19.2 19.5 95 96 A Y E -E 80 0B 17 -15,-3.6 -15,-3.2 -2,-0.5 2,-0.6 -0.937 24.7-143.5-120.7 148.7 18.8 20.8 22.4 96 97 A V E -E 79 0B 91 -2,-0.3 2,-0.7 -17,-0.2 -17,-0.2 -0.964 24.6-167.1-101.5 114.7 16.5 19.4 25.1 97 98 A V E -E 78 0B 6 -19,-2.4 -19,-1.9 -2,-0.6 2,-0.3 -0.883 4.1-157.5-112.4 98.5 13.9 22.3 25.6 98 99 A H E -E 77 0B 128 -2,-0.7 2,-0.2 -21,-0.3 -21,-0.2 -0.593 13.6-167.2 -72.6 138.1 11.8 21.8 28.8 99 100 A T - 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