==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-AUG-09 3ISO . COMPND 2 MOLECULE: PUTATIVE GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLONORCHIS SINENSIS; . AUTHOR Y.H.HAN,H.A.SEO,G.H.KIM,Y.J.CHUNG . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 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 0.5 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 3 1 0 2 2 2 0 0 0 2 0 0 0 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 149 0, 0.0 3,-0.1 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 90.3 -22.8 3.7 -25.4 2 2 A A - 0 0 29 1,-0.1 26,-0.2 58,-0.1 59,-0.1 -0.491 360.0 -83.7 -56.8 144.7 -24.4 0.6 -24.0 3 3 A P - 0 0 20 0, 0.0 26,-2.5 0, 0.0 2,-0.5 -0.193 46.7-130.4 -52.3 153.3 -27.0 1.9 -21.6 4 4 A V E -aB 29 59A 15 55,-2.9 55,-2.2 24,-0.2 2,-0.6 -0.940 13.2-160.5-112.6 131.9 -25.8 2.9 -18.1 5 5 A L E -aB 30 58A 1 24,-2.9 26,-2.3 -2,-0.5 2,-0.5 -0.927 12.9-160.7-108.4 120.4 -27.4 1.8 -14.9 6 6 A G E +aB 31 57A 0 51,-2.6 51,-2.0 -2,-0.6 2,-0.3 -0.863 30.1 123.6-104.1 126.6 -26.5 4.0 -11.9 7 7 A Y E -a 32 0A 15 24,-2.1 26,-2.7 -2,-0.5 -2,-0.0 -0.982 61.8 -73.2-163.1 169.5 -26.9 2.7 -8.4 8 8 A W E -a 33 0A 62 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.246 57.2-103.7 -60.3 153.0 -25.2 2.0 -5.0 9 9 A K S S+ 0 0 118 24,-2.5 2,-0.3 23,-0.1 -1,-0.1 -0.434 92.6 95.8 -85.2 68.4 -23.0 -1.0 -5.1 10 10 A I S S- 0 0 3 -2,-2.4 193,-0.2 1,-0.2 4,-0.1 -0.866 83.1-114.2-145.5 167.6 -25.5 -3.0 -3.3 11 11 A R S >> S+ 0 0 12 191,-2.5 3,-1.3 -2,-0.3 4,-1.3 0.963 74.4 114.7 -72.6 -73.8 -28.4 -5.4 -4.3 12 12 A G G >4 S- 0 0 7 191,-2.6 3,-0.5 1,-0.2 192,-0.1 -0.021 91.8 -18.7 50.2-140.9 -31.3 -3.3 -3.1 13 13 A L G 34 S+ 0 0 81 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.590 133.9 59.2 -76.3 -18.1 -33.7 -2.0 -5.7 14 14 A A G <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.1 3,-0.5 0.631 79.2 84.6 -88.1 -15.0 -31.4 -2.5 -8.7 15 15 A Q H S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.859 109.6 53.4 -70.4 -29.3 -34.0 -7.2 -10.4 17 17 A I H > S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.928 110.5 44.6 -67.4 -47.0 -32.9 -4.8 -13.1 18 18 A R H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.941 113.2 52.0 -62.8 -44.2 -29.4 -6.4 -13.5 19 19 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.929 110.2 49.5 -56.2 -46.8 -31.0 -9.9 -13.4 20 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.930 111.3 47.0 -57.3 -51.8 -33.4 -8.9 -16.1 21 21 A L H X>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 4,-1.4 0.897 113.4 49.3 -57.9 -42.5 -30.8 -7.5 -18.4 22 22 A E H <5S+ 0 0 23 -4,-2.7 -2,-0.2 -5,-0.2 3,-0.2 0.939 112.3 49.0 -64.7 -45.6 -28.5 -10.5 -17.9 23 23 A Y H <5S+ 0 0 65 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.925 112.9 44.0 -59.2 -49.5 -31.4 -12.8 -18.7 24 24 A V H <5S- 0 0 35 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.689 111.2-121.1 -74.0 -14.9 -32.6 -11.0 -21.9 25 25 A G T <5 + 0 0 51 -4,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.827 55.9 155.9 88.0 31.5 -28.9 -10.8 -23.0 26 26 A D < - 0 0 62 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.751 43.3-117.5 -94.3 140.5 -28.8 -6.9 -23.3 27 27 A S + 0 0 90 -2,-0.4 2,-0.3 -5,-0.0 -1,-0.0 -0.498 44.7 155.9 -71.8 139.7 -25.5 -5.0 -23.0 28 28 A Y - 0 0 24 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.2 -0.980 30.7-145.1-153.3 164.9 -25.3 -2.5 -20.2 29 29 A E E -a 4 0A 116 -26,-2.5 -24,-2.9 -2,-0.3 2,-0.5 -0.928 18.7-139.1-125.7 150.4 -22.7 -0.7 -18.0 30 30 A E E -a 5 0A 43 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.940 5.9-155.2-113.6 137.9 -23.1 0.1 -14.4 31 31 A H E -a 6 0A 104 -26,-2.3 -24,-2.1 -2,-0.5 2,-0.6 -0.930 29.1-162.5-100.0 104.3 -22.0 3.3 -12.7 32 32 A S E -a 7 0A 48 -2,-0.8 2,-0.7 -26,-0.2 -24,-0.2 -0.790 15.3-152.7 -97.7 128.5 -21.6 2.0 -9.2 33 33 A Y E -a 8 0A 9 -26,-2.7 -24,-2.5 -2,-0.6 5,-0.0 -0.818 21.5-149.6 -95.6 118.9 -21.5 4.2 -6.1 34 34 A G > - 0 0 15 -2,-0.7 3,-2.1 -26,-0.2 -24,-0.1 -0.073 34.2 -87.8 -80.9 179.1 -19.5 2.5 -3.3 35 35 A R T 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.786 129.6 43.7 -61.2 -28.1 -19.9 2.8 0.4 36 36 A C T 3 S+ 0 0 123 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.132 92.0 86.9-101.5 17.8 -17.6 5.9 0.5 37 37 A D <> + 0 0 42 -3,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.183 46.3 117.5-107.3 18.2 -19.1 7.5 -2.6 38 38 A G H > S+ 0 0 35 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.876 81.0 43.0 -48.2 -47.0 -21.9 9.4 -0.8 39 39 A E H > S+ 0 0 116 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.844 107.7 59.9 -79.2 -27.0 -20.6 12.8 -1.8 40 40 A K H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 107.8 45.8 -65.1 -37.2 -19.8 11.7 -5.3 41 41 A W H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 3,-0.3 0.967 109.4 53.6 -70.8 -47.3 -23.5 10.9 -5.8 42 42 A Q H < S+ 0 0 104 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.876 111.2 49.8 -49.2 -37.9 -24.6 14.3 -4.2 43 43 A N H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 117.0 37.0 -67.9 -40.4 -22.3 15.9 -6.8 44 44 A D H >< S+ 0 0 52 -4,-1.8 3,-2.5 -3,-0.3 -2,-0.2 0.724 92.4 91.5 -83.0 -24.7 -23.7 14.0 -9.8 45 45 A K T 3< S+ 0 0 56 -4,-2.7 3,-0.4 1,-0.3 5,-0.3 0.795 97.3 31.5 -47.4 -49.4 -27.3 14.0 -8.8 46 46 A H T 3 S+ 0 0 138 -4,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.397 112.7 66.6 -92.3 2.9 -28.3 17.2 -10.5 47 47 A N S < S+ 0 0 128 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 -0.052 79.0 76.4-106.1 28.3 -25.8 16.8 -13.4 48 48 A L S S- 0 0 31 -3,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.239 102.9-109.6-126.2 8.1 -27.1 13.9 -15.3 49 49 A G + 0 0 62 1,-0.2 2,-0.3 -3,-0.2 15,-0.1 0.628 63.0 158.8 76.0 13.2 -30.0 15.4 -17.1 50 50 A L - 0 0 17 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.550 36.3-153.8 -76.5 130.4 -32.5 13.4 -14.8 51 51 A E S S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 304,-0.1 0.833 95.9 20.6 -69.5 -33.8 -36.0 14.9 -14.6 52 52 A L S S- 0 0 3 2,-0.1 -1,-0.3 303,-0.0 15,-0.1 -0.680 95.6-142.1-133.7 74.7 -36.6 13.4 -11.1 53 53 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 13,-0.1 -0.055 44.0 120.3 -51.6 139.2 -33.1 12.7 -9.8 54 54 A N - 0 0 58 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.968 55.2 -64.9-175.9 170.3 -32.8 9.5 -7.8 55 55 A L S S+ 0 0 14 -2,-0.3 2,-0.2 1,-0.1 13,-0.1 -0.999 104.5 43.5-122.0 136.8 -31.1 6.2 -7.6 56 56 A P S S+ 0 0 2 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.404 77.7 173.2 -74.4 162.7 -31.3 4.0 -9.4 57 57 A Y E -BC 6 66A 3 -51,-2.0 -51,-2.6 9,-0.2 2,-0.4 -0.896 17.2-157.4-128.8 163.3 -31.1 5.9 -12.7 58 58 A Y E -BC 5 65A 12 7,-2.2 7,-2.1 -2,-0.3 2,-0.4 -0.997 10.4-175.2-137.9 132.4 -30.8 4.5 -16.3 59 59 A K E +BC 4 64A 57 -55,-2.2 -55,-2.9 -2,-0.4 2,-0.4 -0.995 11.5 169.2-135.1 132.8 -29.4 6.6 -19.2 60 60 A D E > - C 0 63A 60 3,-3.3 3,-2.4 -2,-0.4 2,-0.3 -0.883 68.9 -51.4-140.4 100.9 -29.3 5.6 -22.9 61 61 A G T 3 S- 0 0 46 -2,-0.4 -59,-0.0 1,-0.3 -1,-0.0 -0.512 122.1 -21.5 72.2-129.3 -28.3 8.4 -25.2 62 62 A N T 3 S+ 0 0 179 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.310 120.3 98.3 -95.4 5.3 -30.5 11.3 -24.5 63 63 A F E < +C 60 0A 26 -3,-2.4 -3,-3.3 2,-0.0 2,-0.3 -0.825 49.9 169.3 -94.3 135.4 -33.1 9.1 -22.9 64 64 A S E -C 59 0A 10 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.971 10.0-179.6-144.2 153.7 -33.0 8.8 -19.0 65 65 A L E -C 58 0A 0 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.3 -0.985 9.7-166.3-140.7 155.0 -35.2 7.5 -16.3 66 66 A T E +C 57 0A 0 -2,-0.3 -9,-0.2 -9,-0.2 250,-0.1 -0.781 51.7 79.0-125.7-179.4 -35.4 7.1 -12.6 67 67 A Q S > S- 0 0 21 -11,-0.7 4,-2.4 -2,-0.3 3,-0.3 0.720 71.1-125.0 84.1 107.7 -37.7 4.9 -10.4 68 68 A S H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.833 110.5 49.9 -47.2 -43.4 -36.6 1.2 -10.2 69 69 A L H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 108.9 51.0 -70.6 -34.8 -40.0 0.0 -11.4 70 70 A A H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.892 112.5 47.2 -70.1 -33.4 -40.1 2.4 -14.4 71 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.951 113.6 47.4 -71.2 -48.6 -36.6 1.2 -15.4 72 72 A L H X S+ 0 0 4 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.954 114.2 48.2 -52.8 -44.5 -37.6 -2.4 -15.0 73 73 A R H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.841 107.0 55.1 -70.8 -31.7 -40.7 -1.7 -17.0 74 74 A Y H X S+ 0 0 22 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.929 112.8 42.2 -65.4 -51.4 -38.9 0.1 -19.8 75 75 A I H X S+ 0 0 4 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.947 117.0 48.9 -58.5 -45.5 -36.6 -3.0 -20.3 76 76 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.9 -5,-0.3 3,-0.6 0.903 108.2 53.1 -59.6 -40.7 -39.6 -5.4 -20.0 77 77 A D H ><5S+ 0 0 12 -4,-2.5 3,-2.6 1,-0.3 -1,-0.2 0.943 104.9 55.0 -63.2 -47.3 -41.7 -3.3 -22.4 78 78 A K H 3<5S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.733 112.5 45.5 -60.8 -19.6 -38.8 -3.5 -25.1 79 79 A H T <<5S- 0 0 58 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.147 118.7-112.2-109.7 21.5 -39.1 -7.3 -24.6 80 80 A N T < 5S+ 0 0 128 -3,-2.6 3,-0.3 1,-0.1 -3,-0.2 0.841 78.1 128.4 56.2 37.5 -42.9 -7.5 -24.7 81 81 A M < + 0 0 24 -5,-2.9 -4,-0.2 -8,-0.2 69,-0.1 0.243 49.0 77.2-106.8 9.3 -43.3 -8.5 -21.1 82 82 A I S S- 0 0 7 -6,-0.3 10,-0.2 1,-0.3 11,-0.2 0.372 101.5 -99.7-105.8 9.0 -45.8 -5.8 -19.9 83 83 A G - 0 0 7 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.0 -0.157 16.1-119.9 102.3 166.0 -48.9 -7.3 -21.4 84 84 A N S S+ 0 0 115 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.444 85.2 43.3-133.7 -1.6 -51.0 -6.7 -24.5 85 85 A T S > S- 0 0 69 1,-0.1 4,-3.5 0, 0.0 5,-0.3 -0.901 87.3-104.7-134.3 165.3 -54.6 -5.7 -23.4 86 86 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.930 121.8 49.0 -57.0 -40.7 -55.8 -3.3 -20.6 87 87 A V H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.932 114.8 44.0 -68.6 -41.8 -56.8 -6.2 -18.4 88 88 A E H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 112.8 51.4 -65.9 -43.9 -53.4 -8.0 -18.9 89 89 A R H X S+ 0 0 50 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.886 111.8 48.2 -57.8 -41.0 -51.4 -4.8 -18.4 90 90 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.882 107.9 53.7 -73.2 -34.7 -53.2 -4.1 -15.2 91 91 A K H X S+ 0 0 56 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.916 109.7 48.1 -62.0 -43.2 -52.7 -7.6 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102 A L H X S+ 0 0 8 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.932 115.2 38.7 -64.5 -43.5 -42.9 -7.9 -0.4 103 103 A R H >X S+ 0 0 20 -4,-2.3 4,-1.6 1,-0.2 3,-0.7 0.891 114.3 54.7 -74.1 -36.5 -39.4 -6.4 -0.9 104 104 A A H 3X S+ 0 0 24 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.737 94.9 69.2 -68.6 -24.4 -40.2 -3.1 1.0 105 105 A G H 3X S+ 0 0 9 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.899 104.6 42.4 -66.2 -36.0 -41.4 -5.1 4.1 106 106 A V H XX S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.7 3,-1.1 0.928 113.9 50.6 -65.7 -53.3 -37.9 -6.1 4.7 107 107 A S H 3X S+ 0 0 32 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.865 102.2 61.4 -56.4 -36.0 -36.4 -2.7 3.9 108 108 A R H 3< S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.775 117.1 29.2 -72.7 -21.2 -38.8 -0.9 6.3 109 109 A I H X< S+ 0 0 18 -3,-1.1 3,-0.9 -4,-0.6 -1,-0.2 0.703 105.4 76.7-100.4 -17.6 -37.5 -2.9 9.3 110 110 A A H 3< S+ 0 0 0 -4,-2.2 99,-2.1 1,-0.2 100,-2.0 0.626 92.3 50.0 -70.0 -24.4 -33.9 -3.5 8.2 111 111 A Y T 3< S+ 0 0 99 -4,-0.8 -1,-0.2 97,-0.3 2,-0.2 0.604 89.3 97.4 -90.6 -14.2 -32.5 0.0 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