==== 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 TRANSFERASE 27-FEB-07 2EG3 . COMPND 2 MOLECULE: PROBABLE THIOSULFATE SULFURTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.SAKAI,A.EBIHARA,Y.KITAMURA,A.SHINKAI,S.KURAMITSU,S.YOKOYAM . 457 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 0 0.0 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 . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 4 2 1 1 0 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 2 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 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 103 0, 0.0 2,-0.2 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 133.9 18.3 47.8 35.9 2 2 A N - 0 0 154 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.593 360.0-131.9 -85.1 150.8 16.3 45.7 38.4 3 3 A L - 0 0 73 -2,-0.2 3,-0.1 4,-0.0 2,-0.1 -0.824 15.0-120.0-105.6 143.2 17.8 42.3 39.3 4 4 A P > - 0 0 40 0, 0.0 3,-1.0 0, 0.0 61,-0.0 -0.406 47.0 -84.0 -75.9 158.5 15.9 39.0 39.4 5 5 A E T 3 S+ 0 0 153 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.287 105.7 3.6 -64.9 146.3 15.7 37.2 42.8 6 6 A D T 3 S+ 0 0 127 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.793 87.8 174.8 51.2 35.0 18.5 34.9 43.9 7 7 A A < - 0 0 26 -3,-1.0 2,-0.5 57,-0.1 57,-0.2 -0.359 29.9-134.0 -70.0 149.2 20.6 35.8 40.8 8 8 A V E -a 64 0A 4 55,-2.5 57,-2.4 53,-0.4 2,-0.4 -0.912 25.3-139.9-100.0 133.4 24.1 34.4 40.5 9 9 A L E -a 65 0A 26 -2,-0.5 18,-2.7 55,-0.2 2,-0.4 -0.782 16.4-169.1-100.5 140.3 26.5 37.2 39.4 10 10 A V E -ab 66 27A 0 55,-2.3 57,-2.2 -2,-0.4 2,-0.6 -0.995 9.8-153.0-130.5 124.6 29.2 36.8 36.8 11 11 A D E -ab 67 28A 0 16,-3.2 18,-2.4 -2,-0.4 57,-0.2 -0.863 7.7-171.9 -97.8 115.8 31.8 39.5 36.3 12 12 A T + 0 0 0 55,-2.2 56,-0.1 -2,-0.6 -1,-0.1 0.321 47.9 111.7 -95.8 12.5 33.3 39.4 32.7 13 13 A R S S- 0 0 30 54,-0.3 16,-0.2 1,-0.2 -2,-0.1 -0.331 82.4 -80.7 -78.5 163.1 36.0 42.0 33.2 14 14 A P >> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.241 49.4-104.5 -59.8 155.5 39.7 41.1 33.2 15 15 A R H 3> S+ 0 0 83 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.836 115.5 58.4 -55.0 -40.9 41.0 39.6 36.5 16 16 A P H 3> S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.925 109.3 45.7 -59.1 -38.4 42.9 42.7 37.8 17 17 A A H <> S+ 0 0 35 -3,-0.6 4,-0.5 2,-0.2 -2,-0.2 0.911 112.8 51.4 -67.5 -41.4 39.7 44.8 37.7 18 18 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.938 110.7 48.0 -59.3 -46.2 37.8 41.9 39.3 19 19 A E H 3< S+ 0 0 98 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.3 62.6 -68.3 -23.7 40.4 41.7 42.1 20 20 A A H 3< S- 0 0 69 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.608 132.4 -42.2 -74.7 -12.7 40.3 45.5 42.6 21 21 A G << + 0 0 4 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.3 -0.260 63.2 178.9 147.4 124.5 36.6 45.1 43.6 22 22 A H B -D 102 0B 0 80,-2.4 80,-2.8 -3,-0.2 79,-0.3 -0.871 45.3 -75.7-135.6 167.6 33.6 43.1 42.4 23 23 A L > - 0 0 7 -2,-0.3 3,-2.7 77,-0.3 77,-0.2 -0.390 66.2 -86.9 -66.3 141.0 30.0 42.7 43.5 24 24 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 -0.234 113.2 7.9 -51.6 129.0 29.7 40.5 46.6 25 25 A G T 3 S+ 0 0 25 79,-0.3 -16,-0.2 1,-0.3 2,-0.1 0.318 92.4 145.2 83.8 -8.5 29.4 36.8 45.5 26 26 A A < - 0 0 0 -3,-2.7 2,-0.3 -18,-0.1 -1,-0.3 -0.371 42.2-137.9 -68.2 141.4 30.2 37.5 41.9 27 27 A R E -b 10 0A 42 -18,-2.7 -16,-3.2 -3,-0.1 2,-0.5 -0.673 16.5-122.1 -93.3 150.9 32.2 34.8 40.0 28 28 A H E +b 11 0A 36 -2,-0.3 2,-0.2 -18,-0.2 -16,-0.2 -0.838 42.6 154.7 -94.8 125.9 35.0 35.9 37.6 29 29 A L + 0 0 19 -18,-2.4 2,-0.6 -2,-0.5 49,-0.1 -0.753 10.1 163.6-154.9 106.5 34.5 34.6 34.1 30 30 A D - 0 0 55 -2,-0.2 2,-0.3 48,-0.1 -15,-0.1 -0.885 28.2-158.0-123.1 89.4 36.1 36.4 31.1 31 31 A L - 0 0 40 -2,-0.6 47,-0.1 43,-0.3 2,-0.1 -0.553 6.3-141.8 -78.0 133.9 35.9 33.8 28.3 32 32 A S - 0 0 92 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.389 35.5 -95.3 -80.0 169.1 38.2 33.9 25.3 33 33 A A - 0 0 24 -2,-0.1 162,-0.1 2,-0.0 2,-0.1 -0.767 40.9-149.4 -89.8 111.0 36.7 32.9 21.9 34 34 A P - 0 0 51 0, 0.0 2,-1.1 0, 0.0 -3,-0.0 -0.469 17.4-119.9 -78.8 152.0 37.4 29.2 21.2 35 35 A K - 0 0 121 -2,-0.1 2,-0.3 184,-0.0 181,-0.1 -0.801 43.7-167.0 -89.7 102.8 37.8 28.0 17.6 36 36 A L - 0 0 33 -2,-1.1 2,-0.5 179,-0.2 184,-0.1 -0.669 23.9-160.5 -98.4 148.6 35.0 25.5 17.4 37 37 A R + 0 0 102 -2,-0.3 2,-0.6 6,-0.1 3,-0.2 -0.973 17.3 173.3-123.2 109.4 34.3 22.8 14.9 38 38 A L + 0 0 6 -2,-0.5 87,-0.7 1,-0.1 178,-0.1 -0.804 34.6 112.4-123.9 90.2 30.7 21.7 15.2 39 39 A R + 0 0 72 -2,-0.6 2,-0.2 1,-0.2 -1,-0.1 0.639 66.0 57.3-120.8 -42.4 29.7 19.3 12.5 40 40 A E S >> S- 0 0 97 -3,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.613 82.4-120.1 -94.9 153.2 29.1 16.0 14.2 41 41 A E H 3> S+ 0 0 119 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.902 115.0 59.6 -56.6 -38.7 26.6 15.4 17.0 42 42 A A H 3> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.832 103.0 51.3 -60.5 -32.0 29.5 14.3 19.2 43 43 A E H <> S+ 0 0 46 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.871 109.4 49.2 -72.8 -38.5 31.1 17.7 18.8 44 44 A L H X S+ 0 0 9 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.919 111.7 50.0 -65.7 -42.4 27.9 19.4 19.8 45 45 A K H X S+ 0 0 98 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.823 108.2 53.3 -65.9 -28.3 27.7 17.1 22.8 46 46 A A H X S+ 0 0 67 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.885 108.0 49.2 -72.2 -37.9 31.3 17.9 23.7 47 47 A L H X S+ 0 0 23 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.940 112.9 49.9 -63.1 -45.4 30.6 21.7 23.7 48 48 A E H X S+ 0 0 37 -4,-2.3 4,-2.1 1,-0.2 67,-0.3 0.913 109.9 48.4 -59.9 -45.7 27.6 20.9 25.9 49 49 A G H X S+ 0 0 39 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.870 108.8 54.8 -64.2 -35.5 29.6 18.8 28.4 50 50 A G H X S+ 0 0 44 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.888 107.9 48.9 -65.5 -37.0 32.2 21.5 28.6 51 51 A L H X S+ 0 0 8 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.873 108.5 55.0 -70.4 -35.4 29.5 24.0 29.5 52 52 A T H X S+ 0 0 24 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.946 108.7 46.5 -61.7 -46.4 28.2 21.6 32.2 53 53 A E H X S+ 0 0 95 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 114.5 48.8 -62.7 -38.9 31.6 21.4 33.8 54 54 A L H X S+ 0 0 41 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.940 111.8 47.7 -64.1 -49.4 32.0 25.1 33.7 55 55 A F H <>S+ 0 0 0 -4,-3.1 5,-3.0 1,-0.2 4,-0.4 0.910 114.9 45.1 -59.7 -46.4 28.6 25.8 35.1 56 56 A Q H ><5S+ 0 0 34 -4,-2.6 55,-1.2 -5,-0.2 3,-0.9 0.902 111.0 52.1 -69.0 -39.5 29.1 23.3 38.0 57 57 A T H 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 114.1 43.7 -64.1 -36.3 32.6 24.5 38.9 58 58 A L T 3<5S- 0 0 31 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.458 111.9-121.3 -86.7 -1.9 31.4 28.1 39.1 59 59 A G T < 5 + 0 0 2 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.1 0.881 51.6 170.9 64.9 37.6 28.3 27.1 41.0 60 60 A L < + 0 0 0 -5,-3.0 53,-0.4 -6,-0.2 2,-0.3 -0.466 12.9 155.1 -83.7 157.8 26.0 28.6 38.4 61 61 A R - 0 0 106 -2,-0.1 -53,-0.4 2,-0.1 26,-0.1 -0.898 45.8 -47.9-169.7 150.8 22.2 28.3 38.2 62 62 A S S S+ 0 0 54 -2,-0.3 27,-0.1 -55,-0.1 2,-0.1 -0.439 106.6 50.3 -70.0 147.5 19.5 30.5 36.7 63 63 A P S S+ 0 0 32 0, 0.0 -55,-2.5 0, 0.0 2,-0.4 0.580 70.2 175.8 -90.1 150.7 19.1 33.3 36.8 64 64 A V E -ac 8 89A 1 24,-2.8 26,-1.3 -57,-0.2 2,-0.5 -0.938 13.7-163.6-115.6 136.1 22.5 34.7 36.0 65 65 A V E -ac 9 90A 0 -57,-2.4 -55,-2.3 -2,-0.4 2,-0.4 -0.988 8.9-163.3-119.1 120.8 23.3 38.4 35.6 66 66 A L E -ac 10 91A 0 24,-2.7 26,-2.2 -2,-0.5 2,-0.3 -0.866 10.2-172.0-103.8 141.1 26.6 39.1 33.8 67 67 A Y E +ac 11 92A 0 -57,-2.2 -55,-2.2 -2,-0.4 -54,-0.3 -0.948 16.0 151.7-135.1 155.3 28.1 42.6 34.1 68 68 A D - 0 0 0 24,-1.3 2,-1.4 -2,-0.3 28,-0.2 -0.933 58.9 -74.2-163.9 174.1 31.0 44.5 32.6 69 69 A E S S- 0 0 108 -2,-0.3 25,-0.1 25,-0.1 24,-0.1 -0.680 101.9 -30.9 -86.0 94.1 31.7 48.2 31.9 70 70 A G S S- 0 0 25 23,-2.1 2,-1.8 -2,-1.4 22,-0.1 -0.194 106.2 -42.8 85.9 177.3 29.5 48.8 29.0 71 71 A L S S+ 0 0 64 4,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.594 77.3 179.9 -81.3 84.0 28.4 46.4 26.3 72 72 A T > - 0 0 26 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.402 40.7-121.3 -86.2 161.3 31.8 44.7 25.8 73 73 A S H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 115.4 51.3 -66.3 -40.4 32.7 42.0 23.4 74 74 A R H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -43,-0.3 0.889 107.9 52.0 -65.9 -35.2 33.8 39.8 26.3 75 75 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.968 115.6 41.6 -61.7 -49.7 30.5 40.4 28.2 76 76 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 114.2 50.4 -65.8 -41.9 28.6 39.3 25.1 77 77 A R H X S+ 0 0 37 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.925 116.0 42.8 -60.3 -45.8 30.8 36.4 24.2 78 78 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.918 114.5 49.0 -68.1 -45.4 30.7 35.1 27.8 79 79 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.3 0.859 107.1 58.0 -64.1 -33.1 26.9 35.6 28.2 80 80 A F H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.946 106.7 46.5 -64.6 -46.2 26.4 33.9 24.9 81 81 A F H X S+ 0 0 14 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.909 113.0 49.1 -63.1 -40.2 28.0 30.7 26.1 82 82 A L H <>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 3,-0.2 0.946 116.2 42.2 -64.5 -44.9 26.1 30.7 29.4 83 83 A G H ><5S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.853 108.8 60.0 -68.5 -32.3 22.8 31.2 27.7 84 84 A L H 3<5S+ 0 0 0 -4,-2.5 34,-2.4 -5,-0.3 -1,-0.2 0.851 101.0 56.3 -62.5 -32.2 23.8 28.7 25.0 85 85 A G T 3<5S- 0 0 3 -4,-1.5 31,-2.3 -3,-0.2 -1,-0.3 0.363 128.4 -97.6 -81.7 4.9 24.1 26.2 27.8 86 86 A G T < 5S+ 0 0 32 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.470 78.3 136.5 95.9 0.1 20.5 26.8 28.8 87 87 A L < - 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0 0 70 -2,-0.2 -78,-0.1 -81,-0.1 -1,-0.1 -0.756 22.7-123.4 -91.0 126.9 36.9 35.7 45.5 106 106 A P - 0 0 32 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.278 11.8-155.4 -65.7 154.3 34.1 33.4 46.4 107 107 A K - 0 0 177 -80,-0.1 3,-0.1 -48,-0.0 -49,-0.1 -0.689 23.8-169.9-128.4 73.6 34.7 29.7 46.4 108 108 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 -49,-0.1 -0.189 27.2-105.0 -63.8 158.8 31.1 28.4 45.9 109 109 A E - 0 0 165 1,-0.1 0, 0.0 -50,-0.1 0, 0.0 -0.589 48.7 -91.8 -81.4 148.8 30.3 24.8 46.2 110 110 A R - 0 0 123 -2,-0.2 2,-0.2 -3,-0.1 -53,-0.2 -0.247 39.4-142.5 -57.7 149.4 29.8 23.0 42.9 111 111 A T - 0 0 34 -55,-1.2 -52,-0.1 -56,-0.2 -51,-0.1 -0.553 10.1-132.9-103.5 176.4 26.2 23.0 41.6 112 112 A E + 0 0 181 -2,-0.2 -56,-0.1 -53,-0.1 -51,-0.1 0.129 55.5 138.3-115.6 16.3 24.7 20.0 39.8 113 113 A V - 0 0 42 -53,-0.4 2,-0.4 -58,-0.1 -57,-0.2 -0.253 42.4-146.1 -61.0 149.8 23.2 22.0 37.0 114 114 A V - 0 0 101 -59,-0.1 2,-0.1 -28,-0.1 -65,-0.1 -0.980 11.7-125.1-123.3 132.9 23.5 20.4 33.6 115 115 A A - 0 0 2 -2,-0.4 2,-0.4 -67,-0.3 -29,-0.2 -0.466 22.3-172.0 -74.8 147.6 24.0 22.3 30.4 116 116 A K - 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