==== 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 28-JUL-02 1M99 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 26KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM; . AUTHOR R.M.F.CARDOSO,D.S.DANIELS,C.M.BRUNS,J.A.TAINER . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.1 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 . 2 0.9 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 . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 2 1 1 1 0 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 227 0, 0.0 60,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 166.6 51.6 65.8 -13.3 2 2 A S - 0 0 43 1,-0.1 26,-0.2 58,-0.1 27,-0.1 -0.410 360.0-102.1 -67.3 133.1 52.9 64.1 -10.2 3 3 A P - 0 0 19 0, 0.0 26,-2.9 0, 0.0 2,-0.5 -0.134 32.9-132.1 -52.8 149.4 56.7 64.1 -9.7 4 4 A I E -aB 29 59A 47 55,-3.8 55,-2.9 24,-0.2 2,-0.5 -0.938 17.4-168.2-112.3 123.3 58.5 60.8 -10.6 5 5 A L E -aB 30 58A 1 24,-2.9 26,-2.0 -2,-0.5 2,-0.4 -0.950 12.3-165.8-110.2 120.7 61.1 59.4 -8.2 6 6 A G E +aB 31 57A 0 51,-2.6 51,-1.6 -2,-0.5 2,-0.3 -0.907 25.3 116.7-115.9 138.2 63.1 56.5 -9.7 7 7 A Y E -a 32 0A 15 24,-2.0 26,-2.3 -2,-0.4 5,-0.0 -0.969 63.1 -65.5-174.2 175.5 65.4 54.0 -8.0 8 8 A W E -a 33 0A 63 -2,-0.3 2,-1.9 24,-0.2 26,-0.2 -0.309 58.5-100.7 -70.1 163.8 65.9 50.3 -7.3 9 9 A K S S+ 0 0 87 24,-2.1 2,-0.3 23,-0.1 26,-0.1 -0.478 94.8 93.9 -87.7 66.1 63.2 48.7 -5.1 10 10 A I S S- 0 0 5 -2,-1.9 193,-0.2 1,-0.2 4,-0.1 -0.870 84.0-115.4-142.8 170.3 65.5 48.9 -2.1 11 11 A K S >> S+ 0 0 1 191,-2.5 4,-1.6 -2,-0.3 3,-0.9 0.978 71.4 122.9 -75.3 -60.7 65.9 51.5 0.7 12 12 A G T 34 S- 0 0 7 191,-2.0 3,-0.4 190,-0.3 192,-0.1 0.063 84.4 -17.4 40.6-138.1 69.5 52.5 -0.2 13 13 A L T 34 S+ 0 0 62 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.664 135.2 53.5 -72.4 -19.7 70.2 56.2 -1.0 14 14 A V T X> S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.1 3,-0.7 0.646 77.4 90.3 -94.6 -17.2 66.6 57.2 -1.6 15 15 A Q H 3X S+ 0 0 4 -4,-1.6 4,-2.5 -3,-0.4 5,-0.2 0.879 87.8 51.9 -47.7 -48.8 64.8 56.1 1.6 16 16 A P H 3> S+ 0 0 10 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.896 110.4 50.9 -57.4 -37.1 65.3 59.4 3.5 17 17 A T H <> S+ 0 0 1 -3,-0.7 4,-2.1 -4,-0.3 -2,-0.2 0.895 107.6 51.4 -66.7 -40.8 63.9 61.2 0.4 18 18 A R H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.932 110.5 49.8 -62.6 -42.1 60.8 58.9 0.5 19 19 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.887 109.0 51.2 -64.0 -39.4 60.3 59.7 4.1 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.899 110.2 50.0 -64.1 -40.3 60.6 63.5 3.5 21 21 A L H <>S+ 0 0 1 -4,-2.1 5,-2.6 2,-0.2 4,-0.5 0.902 112.3 46.8 -63.5 -44.1 58.0 63.3 0.7 22 22 A E H ><5S+ 0 0 28 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.929 111.9 50.7 -63.5 -46.9 55.6 61.4 3.0 23 23 A Y H 3<5S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.876 114.1 43.9 -58.0 -41.3 56.1 63.8 5.9 24 24 A L T 3<5S- 0 0 34 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.531 108.8-130.6 -81.2 -7.6 55.5 66.7 3.5 25 25 A E T < 5 + 0 0 145 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.862 46.8 166.2 59.0 37.1 52.5 64.8 2.1 26 26 A E < - 0 0 78 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.618 36.5-122.1 -83.4 143.5 53.7 65.5 -1.4 27 27 A K + 0 0 139 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 -0.652 45.6 151.1 -85.1 141.1 52.2 63.4 -4.2 28 28 A Y - 0 0 12 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.965 36.1-135.3-167.9 152.4 54.6 61.4 -6.3 29 29 A E E -a 4 0A 90 -26,-2.9 -24,-2.9 -2,-0.3 2,-0.4 -0.804 21.5-139.8-110.5 154.0 54.9 58.3 -8.4 30 30 A E E -a 5 0A 46 -2,-0.3 2,-0.9 -26,-0.2 -24,-0.2 -0.956 8.0-153.4-121.3 134.7 57.9 55.9 -8.2 31 31 A H E -a 6 0A 51 -26,-2.0 -24,-2.0 -2,-0.4 2,-0.6 -0.882 28.3-166.8-100.1 97.8 59.6 54.1 -11.0 32 32 A L E -a 7 0A 42 -2,-0.9 2,-0.6 -26,-0.2 -24,-0.2 -0.814 11.3-150.6 -97.1 121.1 60.9 51.0 -9.1 33 33 A Y E -a 8 0A 0 -26,-2.3 -24,-2.1 -2,-0.6 5,-0.1 -0.786 16.5-141.4 -91.4 119.4 63.5 48.8 -10.7 34 34 A E > - 0 0 74 -2,-0.6 3,-2.1 -26,-0.2 -24,-0.1 -0.209 32.2 -95.1 -72.3 167.9 63.3 45.2 -9.5 35 35 A R T 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.753 127.4 42.9 -56.1 -26.8 66.4 43.1 -8.8 36 36 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.144 93.2 82.8-108.2 20.1 66.1 41.7 -12.4 37 37 A E <> + 0 0 53 -3,-2.1 4,-1.9 1,-0.2 5,-0.2 0.069 47.1 119.7-109.8 24.0 65.3 44.9 -14.2 38 38 A G H > S+ 0 0 26 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.884 79.9 48.0 -53.7 -40.3 68.9 46.1 -14.5 39 39 A D H > S+ 0 0 109 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.837 103.7 60.1 -70.3 -33.8 68.5 46.0 -18.3 40 40 A K H 4 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.915 110.2 43.7 -59.3 -40.8 65.2 47.9 -18.1 41 41 A W H >X S+ 0 0 19 -4,-1.9 4,-3.1 1,-0.2 3,-1.6 0.938 109.8 55.0 -69.5 -47.6 67.2 50.7 -16.4 42 42 A R H 3X S+ 0 0 183 -4,-2.3 4,-0.6 1,-0.3 -2,-0.2 0.888 107.4 49.8 -53.3 -43.8 70.2 50.6 -18.9 43 43 A N H 3< S+ 0 0 129 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.574 120.3 37.0 -74.2 -8.0 67.9 51.0 -21.9 44 44 A K H X4 S+ 0 0 61 -3,-1.6 3,-2.4 -4,-0.3 4,-0.4 0.640 92.8 89.9-113.4 -24.6 66.2 54.0 -20.3 45 45 A K H >< S+ 0 0 61 -4,-3.1 3,-0.7 1,-0.3 5,-0.3 0.839 96.8 33.6 -39.7 -56.8 69.2 55.6 -18.5 46 46 A F T 3< S+ 0 0 147 -4,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.300 113.0 65.9 -89.8 12.7 70.4 57.8 -21.3 47 47 A E T < S+ 0 0 150 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.307 77.8 77.7-115.2 7.4 66.8 58.4 -22.5 48 48 A L S < S- 0 0 31 -3,-0.7 -1,-0.1 -4,-0.4 3,-0.1 0.475 103.0-109.6 -96.9 -1.9 65.2 60.4 -19.6 49 49 A G + 0 0 52 1,-0.3 2,-0.3 -3,-0.1 -3,-0.1 0.582 65.6 153.0 86.2 8.7 66.7 63.8 -20.3 50 50 A L - 0 0 16 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.563 40.5-152.2 -75.9 133.3 69.0 63.6 -17.3 51 51 A E S S+ 0 0 162 13,-0.3 -1,-0.1 -2,-0.3 14,-0.1 0.816 97.7 27.9 -73.4 -31.8 72.2 65.6 -17.5 52 52 A F S S- 0 0 148 2,-0.1 -1,-0.3 -3,-0.0 15,-0.1 -0.559 92.8-147.6-130.9 67.9 74.0 63.2 -15.2 53 53 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.025 44.6 116.8 -39.2 123.6 72.2 59.8 -15.7 54 54 A N - 0 0 75 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.964 58.7 -61.3-175.5 175.6 72.1 57.8 -12.4 55 55 A L S S+ 0 0 12 -2,-0.3 13,-0.2 11,-0.1 -48,-0.1 -0.994 104.7 41.5-124.7 132.5 69.9 56.3 -9.7 56 56 A P S S+ 0 0 1 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.474 75.9 172.1 -79.6 165.2 68.1 57.9 -8.0 57 57 A Y E -BC 6 66A 1 -51,-1.6 -51,-2.6 9,-0.2 2,-0.4 -0.939 19.2-153.5-133.7 155.8 66.5 60.4 -10.3 58 58 A Y E -BC 5 65A 11 7,-3.0 7,-3.0 -2,-0.3 2,-0.5 -0.954 12.0-177.8-136.7 115.6 63.7 62.9 -9.8 59 59 A I E +BC 4 64A 28 -55,-2.9 -55,-3.8 -2,-0.4 2,-0.3 -0.956 14.5 150.0-119.4 121.5 61.5 64.2 -12.6 60 60 A D E > - C 0 63A 31 3,-2.4 3,-0.9 -2,-0.5 -58,-0.1 -0.934 62.8 -82.0-141.8 164.1 58.8 66.8 -12.1 61 61 A G T 3 S+ 0 0 72 -60,-0.5 3,-0.1 -2,-0.3 -59,-0.1 0.596 127.4 34.3 -42.5 -16.7 57.2 69.5 -14.3 62 62 A D T 3 S+ 0 0 122 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.677 119.4 23.9-115.1 -24.3 60.0 71.9 -13.4 63 63 A V E < -C 60 0A 37 -3,-0.9 -3,-2.4 2,-0.0 2,-0.4 -0.950 46.2-149.4-145.4 164.5 63.2 69.9 -13.1 64 64 A K E +C 59 0A 96 -2,-0.3 2,-0.3 -5,-0.2 -13,-0.3 -0.958 36.9 175.1-131.6 108.2 65.2 66.7 -14.0 65 65 A L E +C 58 0A 43 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.3 -0.881 21.7 176.9-126.1 154.9 67.5 65.7 -11.2 66 66 A T E +C 57 0A 13 -2,-0.3 -9,-0.2 -9,-0.3 4,-0.1 -0.855 49.0 78.0-137.6 168.7 70.0 62.9 -10.2 67 67 A Q S >> S- 0 0 109 -11,-0.9 4,-2.1 -2,-0.3 3,-1.0 0.760 73.3-124.3 87.6 101.9 72.2 62.7 -7.1 68 68 A S H 3> S+ 0 0 7 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.807 108.4 50.8 -44.1 -39.7 70.3 61.6 -4.0 69 69 A M H 3> S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.834 107.9 49.5 -73.0 -33.6 71.5 64.7 -2.0 70 70 A A H <> S+ 0 0 47 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.864 112.6 52.3 -71.7 -32.1 70.5 67.2 -4.7 71 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.957 111.4 41.6 -68.0 -52.2 67.1 65.5 -4.8 72 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 116.5 50.5 -65.1 -35.7 66.3 65.6 -1.1 73 73 A R H X S+ 0 0 62 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.887 107.9 53.6 -68.8 -36.1 67.7 69.1 -0.8 74 74 A Y H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.962 110.0 46.6 -61.5 -51.1 65.5 70.2 -3.7 75 75 A I H < S+ 0 0 4 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.922 115.6 45.7 -57.9 -44.7 62.4 68.9 -2.1 76 76 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.4 0.907 111.6 52.6 -64.5 -41.6 63.3 70.5 1.2 77 77 A D H ><5S+ 0 0 87 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.856 100.5 61.2 -62.8 -36.4 64.2 73.8 -0.5 78 78 A K T 3<5S+ 0 0 121 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.614 110.9 41.7 -67.3 -8.8 60.8 73.9 -2.3 79 79 A H T < 5S- 0 0 63 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.103 118.6-109.7-122.3 16.4 59.3 74.0 1.2 80 80 A N T < 5S+ 0 0 150 -3,-1.9 -3,-0.2 1,-0.1 3,-0.2 0.860 79.4 128.7 56.5 42.6 61.8 76.5 2.7 81 81 A M < + 0 0 28 -5,-2.5 69,-0.3 -8,-0.2 -4,-0.2 0.355 42.4 84.5-108.2 5.2 63.4 73.8 4.9 82 82 A L S S- 0 0 16 -6,-0.3 10,-0.2 1,-0.2 11,-0.1 0.689 105.6 -70.7 -81.6 -18.7 67.1 74.3 4.0 83 83 A G - 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