==== 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 10-FEB-09 3G7J . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE GST1-4; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES DIRUS; . AUTHOR J.WONGSANTICHON,R.C.ROBINSON,A.J.KETTERMAN . 433 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.7 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 . 2 0.5 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.0 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 2 2 0 1 0 1 4 4 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 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 51 0, 0.0 26,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.1 20.1 -5.8 13.9 2 2 A D E -aB 27 56A 48 54,-1.6 54,-2.4 24,-0.2 2,-0.5 -0.507 360.0-168.5 -74.4 130.8 20.5 -4.1 10.5 3 3 A F E -aB 28 55A 0 24,-3.0 26,-2.8 -2,-0.3 2,-0.6 -0.873 5.9-161.6-126.6 95.6 18.2 -5.4 7.8 4 4 A Y E +aB 29 54A 36 50,-2.5 50,-1.5 -2,-0.5 2,-0.3 -0.684 41.8 126.6 -78.9 117.6 19.1 -4.3 4.3 5 5 A Y E -a 30 0A 21 24,-2.0 26,-2.2 -2,-0.6 3,-0.1 -0.929 55.5-128.1-159.5 169.5 15.9 -4.8 2.3 6 6 A L > - 0 0 41 -2,-0.3 3,-1.5 24,-0.2 6,-0.2 -0.985 23.4-136.7-132.6 134.7 13.1 -3.7 -0.0 7 7 A P T 3 S+ 0 0 33 0, 0.0 205,-0.1 0, 0.0 6,-0.1 0.847 105.2 58.2 -55.8 -35.7 9.4 -4.2 0.9 8 8 A G T 3 S+ 0 0 8 203,-0.1 2,-0.5 202,-0.1 204,-0.1 0.660 85.1 99.8 -67.5 -17.4 8.7 -5.4 -2.6 9 9 A S <> - 0 0 22 -3,-1.5 4,-2.2 1,-0.1 5,-0.2 -0.618 63.7-152.9 -81.1 119.9 11.2 -8.2 -2.4 10 10 A A H > S+ 0 0 1 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.919 95.8 49.5 -56.1 -52.2 9.7 -11.6 -1.6 11 11 A P H > S+ 0 0 21 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.864 111.0 51.9 -58.8 -34.3 12.9 -13.0 0.2 12 12 A C H > S+ 0 0 0 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.913 108.7 50.3 -63.3 -43.2 13.0 -9.8 2.3 13 13 A R H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.787 104.6 57.5 -67.4 -30.8 9.3 -10.3 3.3 14 14 A A H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.875 108.6 46.5 -65.8 -39.5 9.9 -13.9 4.3 15 15 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.901 109.6 54.8 -66.5 -42.7 12.6 -12.7 6.8 16 16 A Q H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.903 109.3 46.7 -57.0 -45.8 10.2 -9.9 8.0 17 17 A M H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.862 113.1 49.3 -64.3 -38.7 7.5 -12.5 8.8 18 18 A T H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.894 111.2 49.0 -68.1 -42.6 10.0 -14.8 10.6 19 19 A A H <>S+ 0 0 2 -4,-2.7 5,-2.8 1,-0.2 4,-0.4 0.870 110.0 52.0 -64.3 -39.6 11.4 -12.0 12.7 20 20 A A H <5S+ 0 0 48 -4,-2.0 3,-0.4 -5,-0.2 -1,-0.2 0.837 107.8 53.2 -64.7 -34.4 7.9 -10.9 13.6 21 21 A A H <5S+ 0 0 15 -4,-1.4 -2,-0.2 179,-0.2 -1,-0.2 0.885 114.7 39.0 -68.8 -39.6 7.1 -14.5 14.7 22 22 A V T <5S- 0 0 4 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.323 115.6-111.6 -95.0 5.9 10.2 -14.8 17.0 23 23 A G T 5 + 0 0 55 -4,-0.4 2,-0.5 -3,-0.4 -3,-0.2 0.732 62.1 154.6 73.2 24.6 9.8 -11.2 18.3 24 24 A V < - 0 0 19 -5,-2.8 2,-0.6 -6,-0.2 -1,-0.2 -0.748 35.6-145.6 -87.8 126.4 12.9 -9.8 16.7 25 25 A E - 0 0 167 -2,-0.5 2,-0.4 -5,-0.0 -5,-0.0 -0.832 16.4-150.7 -93.7 117.7 12.9 -6.1 15.9 26 26 A L - 0 0 30 -2,-0.6 2,-1.1 -10,-0.1 -24,-0.2 -0.726 14.6-133.7 -93.0 134.5 14.7 -5.3 12.7 27 27 A N E -a 2 0A 80 -26,-3.0 -24,-3.0 -2,-0.4 2,-0.3 -0.776 35.7-141.1 -79.9 100.0 16.5 -2.0 12.0 28 28 A L E -a 3 0A 67 -2,-1.1 2,-0.5 -26,-0.2 -24,-0.2 -0.499 23.1-176.6 -75.1 125.2 15.1 -1.5 8.5 29 29 A K E -a 4 0A 77 -26,-2.8 -24,-2.0 -2,-0.3 2,-0.1 -0.909 21.8-137.3-125.6 101.8 17.6 -0.1 5.9 30 30 A L E -a 5 0A 113 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.370 16.4-163.9 -59.5 125.8 16.1 0.6 2.5 31 31 A T - 0 0 5 -26,-2.2 2,-0.8 -2,-0.1 7,-0.1 -0.866 7.7-151.9-120.1 94.3 18.4 -0.6 -0.2 32 32 A N > - 0 0 72 -2,-0.6 5,-2.2 1,-0.2 6,-0.3 -0.549 10.4-172.4 -70.3 103.3 17.5 0.9 -3.6 33 33 A L T > 5S+ 0 0 56 -2,-0.8 3,-0.5 1,-0.2 -1,-0.2 0.788 82.6 55.6 -70.5 -30.8 18.7 -1.7 -6.1 34 34 A M T 3 5S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.817 107.6 49.4 -70.0 -33.1 18.0 0.6 -9.1 35 35 A A T 3 5S- 0 0 64 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.449 116.7-116.2 -85.4 -2.7 20.1 3.4 -7.7 36 36 A G T X 5 + 0 0 21 -3,-0.5 3,-1.5 -4,-0.3 4,-0.2 0.708 66.6 144.7 76.9 23.2 23.0 0.9 -7.1 37 37 A E G > S- 0 0 118 -3,-0.5 4,-2.5 -4,-0.2 3,-0.7 -0.473 76.6-116.8 -70.6 143.3 28.3 0.8 -2.9 41 41 A P H 3> S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.793 113.2 54.5 -52.9 -36.2 31.7 -0.0 -1.4 42 42 A E H 3> S+ 0 0 148 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.883 112.4 42.6 -66.2 -41.6 30.4 -0.1 2.1 43 43 A F H <> S+ 0 0 9 -3,-0.7 4,-3.9 -6,-0.2 -1,-0.2 0.881 111.0 55.2 -71.6 -41.1 27.7 -2.6 1.3 44 44 A L H < S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.832 103.3 57.1 -60.2 -34.5 30.1 -4.7 -0.8 45 45 A K H < S+ 0 0 182 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.895 116.0 35.7 -61.4 -42.5 32.4 -4.9 2.2 46 46 A L H < S+ 0 0 55 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.940 136.9 17.9 -74.2 -51.0 29.5 -6.5 4.2 47 47 A N >< - 0 0 0 -4,-3.9 3,-1.8 1,-0.1 -1,-0.3 -0.863 57.5-179.1-130.8 96.1 28.0 -8.5 1.3 48 48 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.709 87.6 64.9 -66.9 -19.9 30.3 -9.1 -1.8 49 49 A Q T 3 S- 0 0 24 2,-0.1 -5,-0.1 -5,-0.1 313,-0.1 0.490 99.2-146.1 -77.8 -3.1 27.3 -11.0 -3.3 50 50 A H < + 0 0 36 -3,-1.8 2,-0.3 -7,-0.2 -12,-0.1 0.852 47.4 130.7 38.4 61.8 25.6 -7.6 -3.3 51 51 A C - 0 0 37 2,-0.1 -1,-0.1 -4,-0.0 -2,-0.1 -0.974 49.1 -92.0-142.3 154.1 22.1 -8.9 -2.6 52 52 A I S S+ 0 0 17 -2,-0.3 -40,-0.2 12,-0.1 -47,-0.1 -0.902 90.4 50.4-114.4 145.9 19.1 -8.3 -0.3 53 53 A P + 0 0 4 0, 0.0 12,-0.7 0, 0.0 2,-0.4 0.436 69.1 166.6 -74.8 148.9 18.0 -9.4 2.2 54 54 A T E -BC 4 64A 0 -50,-1.5 -50,-2.5 10,-0.2 2,-0.4 -0.993 17.2-160.1-128.9 125.8 21.2 -8.9 4.2 55 55 A L E -BC 3 63A 1 8,-3.4 8,-2.9 -2,-0.4 2,-0.5 -0.891 6.2-167.7-103.9 133.3 21.2 -9.2 8.0 56 56 A V E -BC 2 62A 16 -54,-2.4 -54,-1.6 -2,-0.4 6,-0.2 -0.977 21.5-151.6-116.9 113.9 24.0 -7.8 10.2 57 57 A D > - 0 0 7 4,-2.6 3,-2.1 -2,-0.5 -55,-0.1 -0.062 34.3 -81.5 -81.6-178.2 23.6 -9.1 13.8 58 58 A E T 3 S+ 0 0 102 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.686 130.0 44.9 -57.8 -23.8 24.6 -7.6 17.2 59 59 A D T 3 S- 0 0 110 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.322 122.8-100.4-101.9 4.2 28.2 -8.8 16.8 60 60 A G < + 0 0 44 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.549 68.7 155.4 85.4 8.4 28.6 -7.6 13.2 61 61 A F - 0 0 37 1,-0.0 -4,-2.6 -5,-0.0 2,-0.4 -0.557 33.6-144.4 -68.4 128.2 28.1 -11.1 11.7 62 62 A V E +C 56 0A 27 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.836 22.6 174.2-105.8 130.1 26.8 -10.7 8.2 63 63 A L E +C 55 0A 0 -8,-2.9 -8,-3.4 -2,-0.4 2,-0.2 -0.998 5.1 173.2-137.5 137.3 24.2 -13.1 6.6 64 64 A W E +C 54 0A 15 -2,-0.4 -10,-0.2 -10,-0.2 4,-0.1 -0.769 42.7 80.8-132.5-173.6 22.3 -13.2 3.4 65 65 A E S >> S- 0 0 32 -12,-0.7 4,-1.8 -2,-0.2 3,-0.7 0.776 72.1-126.4 65.5 109.5 20.0 -15.7 1.6 66 66 A S H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.802 104.8 54.2 -52.0 -39.7 16.6 -15.2 3.2 67 67 A R H 3> S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.821 107.9 48.5 -73.8 -32.6 16.1 -18.9 4.1 68 68 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.840 112.5 50.6 -68.6 -36.9 19.4 -19.2 6.0 69 69 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.924 107.4 53.8 -63.9 -46.1 18.4 -15.9 7.8 70 70 A Q H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.915 111.3 44.6 -51.6 -50.5 15.0 -17.5 8.6 71 71 A I H X S+ 0 0 2 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.923 112.6 51.9 -62.0 -46.0 16.7 -20.5 10.2 72 72 A Y H X>S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 5,-0.8 0.843 107.6 53.2 -59.5 -38.7 19.2 -18.3 12.1 73 73 A L H X5S+ 0 0 0 -4,-2.6 4,-0.7 3,-0.2 -1,-0.2 0.897 115.6 38.9 -63.5 -43.8 16.3 -16.2 13.5 74 74 A V H X5S+ 0 0 3 -4,-1.8 4,-1.1 3,-0.2 -2,-0.2 0.949 117.9 47.3 -72.0 -50.3 14.5 -19.3 14.9 75 75 A E H <5S+ 0 0 43 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.883 130.0 17.9 -60.5 -44.7 17.6 -21.2 16.1 76 76 A K H <5S+ 0 0 64 -4,-2.0 3,-0.3 -5,-0.2 -3,-0.2 0.885 135.7 32.0 -95.9 -49.1 19.3 -18.3 17.9 77 77 A Y H << S+ 0 0 0 -4,-1.1 3,-1.7 -6,-0.2 7,-0.5 0.386 80.5 95.2-111.4 -0.6 13.6 -17.9 18.9 79 79 A A T 3 + 0 0 67 -3,-0.3 3,-0.3 1,-0.3 -2,-0.1 0.569 68.3 74.7 -69.9 -11.0 15.2 -20.2 21.5 80 80 A H T 3 S+ 0 0 141 1,-0.3 2,-0.4 -58,-0.1 -1,-0.3 0.650 99.9 45.8 -73.5 -18.2 13.6 -18.2 24.3 81 81 A D S <> S- 0 0 61 -3,-1.7 4,-2.3 1,-0.1 3,-0.3 -0.820 71.1-175.1-128.7 89.4 10.3 -19.9 23.4 82 82 A A H > S+ 0 0 73 -2,-0.4 4,-1.8 -3,-0.3 -1,-0.1 0.830 83.0 49.9 -54.6 -41.5 11.0 -23.6 23.0 83 83 A D H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 111.0 48.5 -67.9 -40.5 7.4 -24.4 21.8 84 84 A L H > S+ 0 0 26 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.925 110.4 50.4 -65.8 -47.2 7.3 -21.7 19.2 85 85 A A H X S+ 0 0 20 -4,-2.3 4,-2.8 -7,-0.5 -2,-0.2 0.912 109.4 52.7 -56.2 -44.3 10.7 -22.6 17.7 86 86 A E H < S+ 0 0 62 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 110.3 47.3 -60.9 -38.7 9.4 -26.2 17.5 87 87 A R H < S+ 0 0 101 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.918 119.1 39.7 -66.9 -44.2 6.3 -25.1 15.6 88 88 A L H < S+ 0 0 12 -4,-2.6 75,-2.4 1,-0.2 76,-0.3 0.791 137.4 11.9 -74.7 -30.9 8.3 -22.9 13.2 89 89 A Y S < S- 0 0 3 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.542 80.8-150.2-152.7 72.9 11.2 -25.3 12.7 90 90 A P - 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