==== 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 1M9B . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 26 KDA; . 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) . 11655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 70.8 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 . 10 4.6 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 . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 40.3 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+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 1 0 0 1 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 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 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 0 224 0, 0.0 60,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 119.2 52.4 66.3 -13.6 2 2 A S - 0 0 31 1,-0.1 26,-0.2 58,-0.1 27,-0.1 -0.465 360.0 -98.7 -71.8 135.6 53.8 64.8 -10.4 3 3 A P - 0 0 24 0, 0.0 26,-3.0 0, 0.0 2,-0.4 -0.152 35.6-135.2 -51.6 141.4 57.6 64.8 -9.9 4 4 A I E -aB 29 59A 45 55,-3.6 55,-2.7 24,-0.2 2,-0.5 -0.879 15.4-166.8-106.0 135.3 59.3 61.6 -10.7 5 5 A L E -aB 30 58A 1 24,-2.4 26,-1.5 -2,-0.4 2,-0.3 -0.945 11.5-163.6-122.1 108.4 62.0 60.1 -8.4 6 6 A G E +aB 31 57A 0 51,-1.8 51,-1.3 -2,-0.5 2,-0.3 -0.682 26.7 118.4 -96.4 148.2 64.0 57.3 -9.9 7 7 A Y E -a 32 0A 14 24,-2.1 26,-2.0 -2,-0.3 -2,-0.0 -0.958 61.9 -65.1 175.3 170.4 66.2 54.8 -8.1 8 8 A W E -a 33 0A 65 -2,-0.3 2,-1.9 24,-0.2 26,-0.2 -0.305 56.5-104.5 -67.7 159.9 66.9 51.1 -7.3 9 9 A K S S+ 0 0 86 24,-1.7 2,-0.2 23,-0.1 26,-0.1 -0.410 94.1 90.5 -87.5 62.2 64.2 49.5 -5.2 10 10 A I S S- 0 0 5 -2,-1.9 193,-0.2 1,-0.2 4,-0.1 -0.765 87.6-109.9-138.4-179.6 66.4 49.6 -2.1 11 11 A K S >> S+ 0 0 1 191,-2.2 4,-1.5 -2,-0.2 3,-1.2 0.949 71.0 127.3 -81.6 -58.3 66.9 52.2 0.7 12 12 A G T 34 S- 0 0 7 191,-1.8 3,-0.2 190,-0.3 192,-0.1 -0.031 82.6 -22.3 45.8-134.8 70.4 53.3 -0.5 13 13 A L T 34 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.486 134.5 55.4 -87.5 -5.5 71.1 57.0 -1.0 14 14 A V T X> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.1 3,-1.0 0.623 74.4 92.8-104.7 -14.9 67.5 58.1 -1.5 15 15 A Q H 3X S+ 0 0 5 -4,-1.5 4,-2.4 1,-0.3 5,-0.2 0.880 88.2 50.9 -45.4 -49.6 65.7 56.8 1.6 16 16 A P H 3> S+ 0 0 11 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.840 109.9 51.2 -59.1 -34.7 66.1 60.2 3.4 17 17 A T H <> S+ 0 0 2 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.873 106.8 52.3 -71.3 -39.6 64.7 62.0 0.4 18 18 A R H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.983 110.4 49.7 -58.1 -54.3 61.6 59.8 0.3 19 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.829 108.4 51.5 -53.4 -39.7 61.1 60.6 4.0 20 20 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.885 109.7 50.9 -66.4 -38.0 61.4 64.4 3.5 21 21 A L H <>S+ 0 0 2 -4,-2.0 5,-2.7 -3,-0.4 4,-0.5 0.924 111.7 46.8 -63.6 -46.1 58.8 64.2 0.6 22 22 A E H ><5S+ 0 0 26 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.941 111.5 52.2 -61.2 -47.6 56.4 62.3 2.9 23 23 A Y H 3<5S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.907 111.6 44.6 -54.1 -48.1 57.0 64.8 5.7 24 24 A L T 3<5S- 0 0 33 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.515 111.1-125.4 -75.6 -5.9 56.3 67.8 3.5 25 25 A E T < 5 + 0 0 147 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.896 51.9 163.8 60.8 41.3 53.3 65.9 2.2 26 26 A E < - 0 0 81 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.608 36.2-124.6 -88.3 150.5 54.5 66.4 -1.4 27 27 A K + 0 0 142 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.783 42.8 149.2 -97.4 140.6 53.1 64.3 -4.2 28 28 A Y - 0 0 24 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.979 35.4-132.8-164.8 156.9 55.5 62.3 -6.3 29 29 A E E -a 4 0A 95 -26,-3.0 -24,-2.4 -2,-0.3 2,-0.4 -0.818 21.6-136.7-113.4 155.4 55.8 59.1 -8.4 30 30 A E E -a 5 0A 48 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.940 8.8-157.7-120.6 137.8 58.7 56.6 -8.3 31 31 A H E -a 6 0A 78 -26,-1.5 -24,-2.1 -2,-0.4 2,-0.4 -0.891 27.9-171.5-107.0 92.8 60.5 54.8 -11.1 32 32 A L E -a 7 0A 40 -2,-0.8 2,-0.6 -26,-0.2 -24,-0.2 -0.772 14.0-149.3 -94.9 132.1 61.9 51.9 -9.2 33 33 A Y E -a 8 0A 0 -26,-2.0 -24,-1.7 -2,-0.4 5,-0.1 -0.877 16.3-137.8-102.9 118.6 64.4 49.5 -10.8 34 34 A E > - 0 0 76 -2,-0.6 3,-2.2 -26,-0.2 4,-0.2 -0.142 33.8 -94.4 -65.3 166.1 64.2 45.9 -9.6 35 35 A R G > S+ 0 0 120 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.854 127.6 42.8 -49.8 -40.8 67.4 43.9 -8.9 36 36 A D G 3 S+ 0 0 127 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.286 92.3 84.8 -91.9 9.6 67.3 42.4 -12.4 37 37 A E G X> + 0 0 45 -3,-2.2 4,-1.9 1,-0.2 3,-0.8 0.329 47.5 117.4 -94.6 10.1 66.4 45.7 -14.3 38 38 A G H <> S+ 0 0 13 -3,-0.5 4,-1.8 1,-0.3 -1,-0.2 0.833 81.7 46.1 -42.0 -40.4 70.0 46.9 -14.6 39 39 A D H 3> S+ 0 0 92 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.842 104.7 59.4 -73.6 -36.4 69.6 46.7 -18.3 40 40 A K H <4 S+ 0 0 63 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.832 111.3 43.9 -62.0 -30.5 66.2 48.4 -18.3 41 41 A W H >X S+ 0 0 15 -4,-1.9 4,-2.1 2,-0.2 3,-1.6 0.872 107.2 56.5 -81.7 -40.5 68.0 51.4 -16.7 42 42 A R H 3< S+ 0 0 154 -4,-1.8 4,-0.5 1,-0.3 -2,-0.2 0.852 104.1 55.2 -60.8 -33.0 71.1 51.4 -18.9 43 43 A N T 3< S+ 0 0 127 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.527 116.3 37.3 -78.3 -4.0 68.8 51.7 -22.0 44 44 A K T X4 S+ 0 0 71 -3,-1.6 3,-2.7 -5,-0.1 4,-0.5 0.589 88.7 96.5-116.8 -20.8 67.2 54.8 -20.4 45 45 A K T 3< S+ 0 0 65 -4,-2.1 3,-0.5 1,-0.3 5,-0.3 0.811 94.6 31.9 -38.5 -53.4 70.3 56.4 -18.8 46 46 A F T 3 S+ 0 0 144 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.087 110.4 68.6 -99.9 26.4 71.1 58.9 -21.6 47 47 A E S < S+ 0 0 151 -3,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.348 78.6 75.2-121.5 3.4 67.5 59.4 -22.8 48 48 A L S S- 0 0 48 -4,-0.5 -2,-0.1 -3,-0.5 -3,-0.1 0.584 103.2-109.8 -93.9 -11.8 66.0 61.4 -19.8 49 49 A G + 0 0 49 1,-0.3 2,-0.5 -4,-0.1 -3,-0.1 0.712 63.6 153.3 89.9 21.6 67.6 64.8 -20.4 50 50 A L - 0 0 15 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.752 41.0-151.4 -88.7 125.7 69.9 64.6 -17.4 51 51 A E S S+ 0 0 167 -2,-0.5 -1,-0.1 13,-0.3 14,-0.1 0.776 98.5 26.9 -64.6 -27.3 73.1 66.6 -17.7 52 52 A F S S- 0 0 142 2,-0.1 -1,-0.3 -3,-0.0 15,-0.1 -0.636 91.1-146.4-137.8 77.4 74.8 64.1 -15.4 53 53 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.152 42.8 120.7 -48.3 123.2 73.0 60.7 -15.7 54 54 A N - 0 0 74 -9,-0.1 -2,-0.1 2,-0.0 -4,-0.0 -0.977 56.8 -63.2-172.2 171.6 72.9 58.7 -12.5 55 55 A L S S+ 0 0 17 -2,-0.3 13,-0.1 11,-0.1 -48,-0.1 -0.973 105.8 38.7-118.0 129.4 70.7 57.1 -9.8 56 56 A P S S+ 0 0 2 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.496 76.3 171.1 -79.1 168.8 68.9 58.6 -8.1 57 57 A Y E -BC 6 66A 4 -51,-1.3 -51,-1.8 9,-0.2 2,-0.4 -0.922 19.2-152.6-136.6 159.6 67.3 61.3 -10.4 58 58 A Y E -BC 5 65A 16 7,-2.0 7,-2.5 -2,-0.3 2,-0.4 -0.964 13.9-179.8-140.7 120.8 64.5 63.7 -9.9 59 59 A I E +BC 4 64A 30 -55,-2.7 -55,-3.6 -2,-0.4 2,-0.3 -0.973 14.5 141.6-129.5 122.2 62.3 65.1 -12.7 60 60 A D - 0 0 25 3,-2.1 -58,-0.1 -2,-0.4 -2,-0.0 -0.844 67.3 -71.9-142.0 179.9 59.4 67.5 -12.5 61 61 A G S S+ 0 0 76 -60,-0.5 3,-0.1 -2,-0.3 -59,-0.1 0.655 128.2 34.4 -51.5 -17.4 58.0 70.4 -14.4 62 62 A D S S+ 0 0 131 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.838 117.5 18.3-107.4 -46.4 60.9 72.6 -13.4 63 63 A V - 0 0 38 2,-0.0 -3,-2.1 0, 0.0 2,-0.4 -0.809 43.2-151.4-131.2 169.7 64.1 70.7 -13.0 64 64 A K E +C 59 0A 108 -2,-0.3 -13,-0.3 -5,-0.2 2,-0.3 -0.940 37.1 172.3-136.8 107.1 66.0 67.5 -13.9 65 65 A L E -C 58 0A 47 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.3 -0.830 21.4-175.0-124.6 160.5 68.6 66.6 -11.3 66 66 A T E +C 57 0A 15 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.899 50.8 74.9-141.2 166.8 71.0 63.9 -10.2 67 67 A Q S >> S- 0 0 115 -11,-0.8 4,-1.7 -2,-0.3 3,-1.6 0.776 74.2-123.6 85.8 99.9 73.2 63.5 -7.1 68 68 A S H 3> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.745 108.7 52.8 -42.8 -35.9 71.1 62.5 -4.1 69 69 A M H 3> S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.820 106.0 52.3 -75.4 -30.3 72.3 65.5 -2.0 70 70 A A H <> S+ 0 0 46 -3,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.844 112.2 49.1 -71.1 -32.1 71.4 68.0 -4.7 71 71 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.939 110.7 45.2 -73.5 -49.7 67.9 66.5 -4.8 72 72 A I H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.891 114.7 50.5 -62.8 -37.8 67.2 66.4 -1.1 73 73 A R H X S+ 0 0 60 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.853 108.4 53.1 -68.4 -33.0 68.5 70.0 -0.7 74 74 A Y H X S+ 0 0 42 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.950 109.4 46.9 -65.6 -50.3 66.3 71.1 -3.7 75 75 A I H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.850 117.5 44.3 -60.0 -35.2 63.1 69.7 -2.1 76 76 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.1 -5,-0.2 3,-1.7 0.898 111.2 53.4 -75.3 -41.2 64.1 71.4 1.2 77 77 A D H ><5S+ 0 0 88 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.855 99.8 61.4 -61.1 -37.7 65.1 74.6 -0.5 78 78 A K T 3<5S+ 0 0 134 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.482 108.4 45.3 -69.7 -1.4 61.7 74.8 -2.2 79 79 A H T < 5S- 0 0 62 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.070 118.6-110.0-126.2 18.6 60.2 75.0 1.3 80 80 A N T < 5S+ 0 0 138 -3,-1.9 -3,-0.2 1,-0.1 3,-0.2 0.858 79.8 129.3 53.8 43.4 62.7 77.5 2.7 81 81 A M < + 0 0 28 -5,-2.1 -4,-0.2 -8,-0.2 69,-0.2 0.493 41.4 84.4-104.5 -6.0 64.3 74.9 4.9 82 82 A L S S- 0 0 16 -6,-0.2 10,-0.2 1,-0.2 -1,-0.1 0.530 106.2 -74.4 -76.9 -5.8 68.0 75.3 4.0 83 83 A G - 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