==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-06 2H8A . COMPND 2 MOLECULE: MICROSOMAL GLUTATHIONE S-TRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.HEBERT . 121 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 83.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 6.6 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 1 0 0 0 1 1 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A N > 0 0 51 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -16.5 -55.5 24.5 -20.4 2 10 A E H > + 0 0 49 71,-0.3 4,-1.0 2,-0.2 5,-0.2 0.765 360.0 67.8 -52.4 -22.1 -52.2 23.7 -18.6 3 11 A V H > S+ 0 0 90 2,-0.1 4,-1.0 1,-0.1 3,-0.4 0.937 109.5 22.9 -49.4 -97.3 -52.1 27.3 -19.5 4 12 A L H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.768 120.3 64.2 -44.9 -37.2 -54.8 28.8 -17.2 5 13 A M H X S+ 0 0 7 -4,-3.1 4,-1.3 1,-0.3 -1,-0.2 0.933 95.9 48.6 -66.7 -58.2 -54.6 25.9 -14.7 6 14 A A H X S+ 0 0 20 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.3 0.877 114.5 58.5 -45.3 -34.4 -51.2 26.1 -13.3 7 15 A F H X S+ 0 0 93 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.976 98.8 43.0 -69.3 -74.1 -52.1 29.8 -12.8 8 16 A T H X S+ 0 0 76 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.891 117.7 58.3 -40.1 -50.3 -55.2 30.4 -10.7 9 17 A S H >X S+ 0 0 4 -4,-1.3 3,-2.8 -5,-0.2 4,-0.7 0.917 102.9 44.4 -34.6 -83.1 -53.5 27.7 -8.6 10 18 A Y H >X S+ 0 0 112 -4,-2.2 3,-2.5 1,-0.3 4,-1.0 0.776 103.0 63.9 -49.4 -40.2 -50.2 29.2 -7.8 11 19 A A H >X S+ 0 0 34 -4,-1.7 4,-1.8 1,-0.3 3,-0.5 0.846 101.4 52.8 -56.2 -32.4 -51.5 32.6 -6.9 12 20 A T H S+ 0 0 39 -3,-2.8 4,-1.2 -4,-1.1 5,-0.6 0.759 102.4 62.4 -72.2 -21.2 -53.4 31.1 -4.0 13 21 A I H <<5S+ 0 0 38 -3,-2.5 -1,-0.2 -4,-0.7 -2,-0.2 0.695 112.5 31.6 -83.0 -22.4 -50.1 29.5 -2.9 14 22 A I H <<5S+ 0 0 69 -4,-1.0 6,-0.2 -3,-0.5 5,-0.2 0.629 130.5 41.7 -95.1 -27.4 -48.2 32.7 -2.2 15 23 A L H X>S+ 0 0 92 -4,-1.8 4,-4.7 -5,-0.4 5,-0.5 0.934 119.3 39.1 -76.0 -78.9 -51.5 34.3 -1.2 16 24 A A T <5S+ 0 0 24 -4,-1.2 -3,-0.2 1,-0.2 4,-0.1 0.852 133.2 29.2 -30.6 -73.6 -53.2 31.6 0.8 17 25 A K T >>5S+ 0 0 92 1,-0.3 4,-1.3 2,-0.3 5,-0.3 0.851 107.2 63.0 -81.5 -34.2 -48.3 34.1 2.2 19 27 A M H 3<5S+ 0 0 128 -4,-4.7 -1,-0.3 1,-0.2 4,-0.2 0.563 114.9 45.9 -54.5 -3.3 -51.4 36.4 2.7 20 28 A F H <4< S+ 0 0 47 -4,-1.4 3,-0.9 1,-0.2 -2,-0.1 0.941 111.4 44.7 -54.2 -48.4 -47.6 34.4 7.3 22 30 A S G >< S+ 0 0 80 -4,-1.3 3,-1.8 1,-0.3 -1,-0.2 0.879 108.1 55.1 -69.4 -38.1 -47.5 38.2 7.5 23 31 A S G 3 S+ 0 0 78 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.571 106.5 56.3 -66.0 -9.6 -51.0 38.5 9.1 24 32 A A G < S+ 0 0 9 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.437 83.5 122.8 -96.0 -8.1 -49.4 36.1 11.6 25 33 A T S < S- 0 0 88 -3,-1.8 2,-0.7 1,-0.2 -3,-0.1 -0.232 84.0 -66.1 -61.4 150.4 -46.6 38.7 12.2 26 34 A A + 0 0 64 1,-0.2 2,-2.2 2,-0.0 -1,-0.2 -0.084 45.4 173.8 -51.2 87.1 -46.2 39.8 15.8 27 35 A F - 0 0 170 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.0 -0.310 65.8-117.0 -77.6 58.3 -49.3 41.7 16.9 28 36 A Q - 0 0 119 -2,-2.2 2,-0.1 1,-0.1 -3,-0.0 0.696 20.7-128.3 -22.8 135.0 -47.0 41.2 19.8 29 37 A R - 0 0 77 1,-0.1 2,-1.6 9,-0.0 -1,-0.1 -0.404 50.3 -91.5 -54.9 148.7 -47.6 39.4 23.0 30 38 A L - 0 0 143 -2,-0.1 -1,-0.1 1,-0.0 9,-0.1 -0.659 66.5-142.5 -66.0 93.5 -46.8 41.6 26.0 31 39 A T + 0 0 44 -2,-1.6 3,-0.1 1,-0.2 -1,-0.0 -0.352 58.4 125.9 -75.8 143.3 -43.3 40.2 25.8 32 40 A N > + 0 0 123 -2,-0.1 2,-1.8 3,-0.0 3,-0.9 0.128 58.9 83.7-146.4 -49.3 -41.0 39.3 28.7 33 41 A K T 3 + 0 0 127 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.418 61.1 87.6 -68.1 79.7 -40.0 35.7 27.9 34 42 A V T 3 0 0 114 -2,-1.8 -1,-0.2 -3,-0.1 -3,-0.0 0.376 360.0 360.0-129.7 -35.5 -37.2 35.9 25.4 35 43 A F < 0 0 207 -3,-0.9 -3,-0.0 0, 0.0 0, 0.0 -0.008 360.0 360.0 -64.0 360.0 -34.3 36.1 27.9 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 62 A L > 0 0 199 0, 0.0 4,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -35.9 -52.6 33.2 28.1 38 63 A R H > + 0 0 151 3,-0.1 4,-1.4 2,-0.1 3,-0.5 0.984 360.0 64.7 -69.6 -85.9 -51.1 34.5 24.9 39 64 A T H >> S+ 0 0 27 1,-0.3 4,-3.8 2,-0.2 3,-1.8 0.502 114.9 29.0 -10.9 -88.4 -47.7 33.1 23.9 40 65 A D H 3> S+ 0 0 89 1,-0.3 4,-6.8 2,-0.2 5,-0.3 0.919 125.5 47.6 -42.6 -61.0 -48.6 29.4 23.3 41 66 A E H 3< S+ 0 0 119 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.487 117.5 42.8 -71.2 -2.6 -52.2 30.3 22.2 42 67 A K H XX S+ 0 0 54 -3,-1.8 4,-4.0 -4,-1.4 3,-0.9 0.761 122.7 38.1 -94.7 -50.2 -51.0 33.0 19.9 43 68 A V H 3X>S+ 0 0 50 -4,-3.8 5,-1.4 2,-0.3 4,-0.9 0.945 109.7 63.5 -53.5 -52.1 -48.2 30.9 18.6 44 69 A E H 3<5S+ 0 0 37 -4,-6.8 -1,-0.2 -5,-0.4 -3,-0.2 0.592 114.9 34.3 -53.0 -15.4 -50.6 27.9 18.8 45 70 A R H <>5S+ 0 0 95 -3,-0.9 4,-1.3 -5,-0.3 -2,-0.3 0.762 125.5 40.1 -96.8 -57.5 -52.5 29.9 16.2 46 71 A V H >X5S+ 0 0 33 -4,-4.0 4,-4.6 2,-0.2 3,-0.9 0.948 123.9 32.1 -58.8 -69.7 -49.5 31.4 14.3 47 72 A R H 3X5S+ 0 0 163 -4,-0.9 4,-1.9 1,-0.3 -1,-0.2 0.944 124.0 49.8 -49.8 -50.8 -46.9 28.6 14.1 48 73 A R H 34 S+ 0 0 19 -4,-0.4 4,-0.5 -3,-0.3 -2,-0.2 0.672 107.0 55.9 -99.1 -25.5 -50.4 24.1 7.5 53 78 A D H < S+ 0 0 0 -4,-1.5 -1,-0.2 -36,-0.1 -36,-0.2 0.942 116.1 49.6 -47.0 -54.1 -50.9 26.7 4.8 54 79 A L H >X S+ 0 0 60 -4,-0.6 3,-3.0 -5,-0.3 4,-1.0 0.966 110.7 34.5 -57.3 -89.9 -47.3 25.6 4.1 55 80 A E H 3< S+ 0 0 89 -4,-1.7 5,-0.4 1,-0.3 -1,-0.2 0.849 102.5 73.9 -43.8 -47.1 -46.8 21.8 3.9 56 81 A N T 3< S+ 0 0 10 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.632 113.8 31.4 -43.4 -7.7 -50.2 21.3 2.4 57 82 A I T <>>S+ 0 0 23 -3,-3.0 4,-3.7 3,-0.2 5,-1.1 0.717 98.0 80.8-111.1 -50.3 -48.2 22.8 -0.5 58 83 A V H X5S+ 0 0 89 -4,-1.0 4,-0.5 2,-0.2 5,-0.2 0.751 119.2 12.5 -37.2 -59.4 -44.6 21.6 -0.1 59 84 A P H >>S+ 0 0 70 0, 0.0 4,-2.7 0, 0.0 5,-0.7 0.942 129.3 57.6 -68.1 -70.3 -45.4 18.2 -1.6 60 85 A F H >5S+ 0 0 1 -5,-0.4 4,-0.7 1,-0.3 -2,-0.2 0.668 121.1 26.2 -26.5 -56.3 -48.9 19.1 -3.1 61 86 A L H X5S+ 0 0 30 -4,-3.7 4,-1.3 2,-0.2 5,-0.3 0.873 118.1 57.8 -83.9 -46.2 -47.6 22.0 -5.2 62 87 A G H >X< S+ 0 0 38 -4,-1.3 3,-2.2 -5,-0.2 -1,-0.3 0.851 111.6 53.6-102.4 -59.9 -45.9 16.4 -13.2 68 93 A S T 34 S+ 0 0 24 -4,-0.5 3,-0.3 -5,-0.3 -2,-0.2 0.654 83.4 92.7 -56.6 -18.2 -47.2 19.2 -15.5 69 94 A L T 3< S+ 0 0 142 -4,-2.7 2,-0.4 1,-0.3 -1,-0.3 0.671 93.9 41.6 -47.7 -21.5 -43.5 19.7 -16.3 70 95 A S S < S- 0 0 84 -3,-2.2 -1,-0.3 -5,-0.3 -4,-0.0 -0.836 113.9-131.6-123.9 85.6 -44.5 17.3 -19.0 71 96 A G - 0 0 38 -2,-0.4 -3,-0.1 -3,-0.3 -2,-0.1 -0.241 21.9-132.7 -56.7 109.9 -47.8 19.0 -19.7 72 97 A P - 0 0 37 0, 0.0 -70,-0.1 0, 0.0 -1,-0.1 0.559 28.5 -82.9 -48.2-167.9 -50.8 16.5 -19.9 73 98 A D - 0 0 117 -72,-0.0 -71,-0.3 1,-0.0 -2,-0.0 0.865 50.0-129.6 -62.9-106.2 -53.6 16.1 -22.4 74 99 A L S > S+ 0 0 68 -73,-0.1 4,-1.3 -72,-0.1 5,-0.2 0.178 87.2 73.9 178.5 -30.2 -56.3 18.7 -21.4 75 100 A S T 4 S+ 0 0 100 2,-0.2 4,-0.4 1,-0.2 3,-0.0 0.907 112.8 33.5 -69.6 -42.2 -59.9 17.2 -21.0 76 101 A T T >> S+ 0 0 43 2,-0.1 3,-2.1 1,-0.1 4,-1.5 0.942 111.4 66.7 -62.5 -54.6 -58.8 15.5 -17.7 77 102 A A H 3> S+ 0 0 2 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.658 91.2 58.0 -55.6 -31.0 -56.4 18.3 -16.7 78 103 A L H 3X S+ 0 0 69 -4,-1.3 4,-1.6 3,-0.2 -1,-0.3 0.898 116.9 39.0 -60.7 -40.2 -59.1 21.0 -16.2 79 104 A I H X>>S+ 0 0 100 -3,-2.1 4,-4.8 -4,-0.4 3,-1.1 0.990 114.3 47.2 -68.9 -74.5 -60.6 18.6 -13.7 80 105 A H H 3<5S+ 0 0 44 -4,-1.5 -3,-0.2 1,-0.3 -1,-0.2 0.661 124.3 37.5 -52.3 -18.6 -57.6 17.1 -11.9 81 106 A F H 3X5S+ 0 0 17 -4,-1.3 4,-2.0 -5,-0.3 5,-0.4 0.729 119.1 45.3-100.2 -27.6 -56.2 20.6 -11.6 82 107 A R H X S+ 0 0 60 -4,-2.7 4,-2.6 2,-0.2 3,-1.1 0.955 118.9 33.8 -61.9 -85.9 -58.1 25.8 -1.5 90 115 A Y H 3X S+ 0 0 151 -4,-1.2 4,-2.7 1,-0.3 -2,-0.2 0.842 121.1 55.5 -27.9 -52.1 -61.4 24.9 0.4 91 116 A H H 3X S+ 0 0 1 -4,-3.2 4,-2.9 2,-0.3 -1,-0.3 0.894 105.6 47.3 -54.4 -51.1 -59.2 22.5 2.3 92 117 A T H S- 0 0 66 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.778 102.8 -16.0 -97.2-100.4 -57.9 18.4 14.4 101 126 A Q H > S+ 0 0 161 1,-0.2 4,-1.2 2,-0.1 -6,-0.1 0.881 100.0 75.9 -83.4 -44.5 -59.9 15.9 12.2 102 127 A P H 4 S+ 0 0 76 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.397 109.3 30.9 -65.9 4.3 -62.1 17.5 9.4 103 128 A N H > S+ 0 0 2 -3,-0.4 4,-3.1 2,-0.1 5,-0.4 0.692 97.4 72.9-126.0 -52.0 -59.1 18.3 7.2 104 129 A R H X S+ 0 0 171 -4,-0.7 4,-0.6 1,-0.2 -3,-0.1 0.852 104.1 54.5 -35.1 -41.4 -56.4 15.6 7.6 105 130 A G H >X S+ 0 0 38 -4,-1.2 3,-1.9 2,-0.2 4,-1.3 0.985 110.0 40.6 -53.9 -68.2 -59.0 13.6 5.7 106 131 A L H 3> S+ 0 0 57 1,-0.3 4,-0.8 -4,-0.2 -2,-0.2 0.798 110.6 60.0 -52.3 -34.9 -59.3 16.0 2.7 107 132 A A H 3X S+ 0 0 19 -4,-3.1 4,-0.7 1,-0.2 5,-0.3 0.716 104.2 53.3 -68.1 -17.7 -55.5 16.6 2.8 108 133 A F H S+ 0 0 101 -3,-1.9 4,-1.8 -4,-0.6 5,-0.7 0.950 100.5 53.4 -86.6 -50.7 -55.1 12.8 2.1 109 134 A F H <>S+ 0 0 157 -4,-1.3 5,-0.5 3,-0.2 4,-0.2 0.728 117.4 41.0 -57.1 -21.9 -57.2 12.1 -1.0 110 135 A V H X>S+ 0 0 12 -4,-0.8 5,-0.7 3,-0.2 4,-0.6 0.935 116.1 38.0 -93.1 -81.8 -55.4 14.9 -2.8 111 136 A G H <5S+ 0 0 15 -4,-0.7 -3,-0.1 1,-0.2 -2,-0.1 0.792 126.6 39.6 -37.8 -46.1 -51.7 14.9 -2.1 112 137 A Y T X5S+ 0 0 165 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.907 126.4 36.6 -72.4 -42.7 -51.6 11.0 -2.1 113 138 A G H >>< S+ 0 0 57 -4,-1.0 3,-0.8 2,-0.1 -2,-0.2 0.887 119.4 34.8 -74.9 -70.4 -47.1 9.7 -11.4 120 145 A Y H 3< S+ 0 0 201 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.921 107.6 63.0 -46.6 -70.6 -49.1 6.9 -13.1 121 146 A R T 3< 0 0 104 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.2 0.634 360.0 360.0 -36.8 -38.8 -50.8 8.8 -15.9 122 147 A L < 0 0 125 -3,-0.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.167 360.0 360.0 -77.8 360.0 -47.5 9.6 -17.4