==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-00 1F2E . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR T.NISHIO,T.WATANABE,A.PATEL,Y.WANG,P.C.K.LAU,P.GROCHULSKI,Y. . 804 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 49 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 2 1 0 0 0 9 8 6 0 0 2 2 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 4 8 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 4 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 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 35 0, 0.0 25,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.1 36.0 18.1 7.2 2 2 A K E -aB 26 56A 79 54,-2.0 54,-2.6 23,-0.2 2,-0.6 -0.961 360.0-163.4-122.9 130.5 35.2 15.9 10.2 3 3 A L E -aB 27 55A 0 23,-2.8 25,-2.5 -2,-0.4 2,-0.5 -0.939 13.1-148.5-110.6 122.1 34.9 12.1 10.2 4 4 A F E +aB 28 54A 3 50,-3.1 50,-0.8 -2,-0.6 2,-0.3 -0.791 31.9 163.1 -91.4 126.7 33.1 10.6 13.2 5 5 A I E -a 29 0A 4 23,-1.9 25,-2.4 -2,-0.5 5,-0.0 -0.853 36.6-146.6-138.2 172.7 34.5 7.1 14.0 6 6 A S > - 0 0 23 -2,-0.3 3,-2.5 23,-0.2 5,-0.3 -0.953 49.3 -90.1-144.3 120.0 34.7 4.4 16.6 7 7 A P T 3 S- 0 0 50 0, 0.0 3,-0.1 0, 0.0 188,-0.1 0.095 104.9 -4.6 -32.9 123.5 37.9 2.2 16.7 8 8 A G T 3 S+ 0 0 37 1,-0.2 155,-0.1 2,-0.1 187,-0.0 0.363 104.2 124.1 70.8 -6.3 37.8 -0.9 14.5 9 9 A A S X S- 0 0 27 -3,-2.5 3,-2.4 1,-0.1 4,-0.2 -0.090 86.3 -82.8 -77.2-178.9 34.2 -0.3 13.5 10 10 A C T > S+ 0 0 20 1,-0.3 3,-1.3 42,-0.2 -1,-0.1 0.703 123.2 75.7 -57.3 -19.6 32.8 0.0 10.0 11 11 A S T 3> S+ 0 0 0 -5,-0.3 4,-1.5 1,-0.3 -1,-0.3 0.558 72.6 82.0 -71.5 -5.4 33.9 3.7 10.2 12 12 A L H <> S+ 0 0 26 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.822 82.8 63.7 -68.1 -27.8 37.5 2.5 9.7 13 13 A A H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.2 -1,-0.2 0.972 104.8 40.6 -61.0 -57.4 36.7 2.4 5.9 14 14 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.877 113.4 58.2 -59.5 -35.2 36.1 6.1 5.4 15 15 A H H X S+ 0 0 3 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.949 108.6 42.5 -59.2 -50.3 39.0 6.8 7.7 16 16 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.917 112.4 56.5 -62.4 -41.5 41.4 4.9 5.5 17 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.873 103.9 51.5 -58.0 -42.7 39.8 6.5 2.4 18 18 A L H X>S+ 0 0 2 -4,-2.5 5,-1.4 1,-0.2 4,-0.6 0.875 111.5 48.0 -64.7 -36.0 40.5 10.0 3.7 19 19 A R H ><5S+ 0 0 86 -4,-1.5 3,-0.6 -5,-0.2 -2,-0.2 0.888 108.0 55.4 -72.2 -35.6 44.1 9.1 4.3 20 20 A E H 3<5S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 109.9 45.7 -62.3 -39.8 44.4 7.5 0.8 21 21 A T H 3<5S- 0 0 11 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.603 106.7-129.2 -79.7 -11.0 43.2 10.8 -0.8 22 22 A G T <<5 + 0 0 59 -4,-0.6 -3,-0.2 -3,-0.6 -2,-0.1 0.713 50.5 160.8 70.5 21.6 45.6 12.8 1.3 23 23 A A < - 0 0 35 -5,-1.4 2,-0.6 1,-0.1 -1,-0.2 -0.316 45.2-114.5 -74.6 156.0 42.8 15.2 2.4 24 24 A D + 0 0 155 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.828 59.6 131.1 -92.6 124.3 43.0 17.4 5.5 25 25 A F - 0 0 50 -2,-0.6 2,-0.4 2,-0.0 -23,-0.2 -0.928 47.9-122.8-157.2 176.2 40.4 16.2 8.0 26 26 A E E -a 2 0A 101 -25,-1.9 -23,-2.8 -2,-0.3 2,-0.6 -0.998 14.6-140.5-135.1 137.7 40.0 15.4 11.6 27 27 A A E -a 3 0A 26 -2,-0.4 2,-0.7 -25,-0.2 -23,-0.2 -0.882 14.0-158.8 -98.4 119.6 38.7 12.1 13.0 28 28 A V E -a 4 0A 7 -25,-2.5 -23,-1.9 -2,-0.6 2,-0.1 -0.894 14.3-140.3-100.4 111.7 36.4 12.7 16.0 29 29 A K E -a 5 0A 32 -2,-0.7 9,-2.4 -25,-0.2 2,-0.4 -0.459 16.7-151.9 -70.8 142.2 36.3 9.5 18.1 30 30 A V E -D 37 0B 4 -25,-2.4 2,-1.2 7,-0.2 7,-0.2 -0.952 15.6-138.2-121.2 136.4 32.8 8.7 19.5 31 31 A D E >>> -D 36 0B 44 5,-3.0 5,-1.4 -2,-0.4 4,-1.1 -0.798 21.5-172.0 -89.3 98.2 31.9 6.8 22.7 32 32 A L T 345S+ 0 0 63 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.772 77.1 69.1 -64.7 -25.0 29.0 4.8 21.2 33 33 A A T 345S+ 0 0 93 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.849 122.1 13.6 -62.2 -33.6 28.1 3.5 24.7 34 34 A V T <45S- 0 0 74 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.260 101.9-119.1-126.3 9.8 27.0 7.0 25.7 35 35 A R T <5 + 0 0 95 -4,-1.1 8,-1.5 1,-0.2 9,-0.6 0.904 65.3 137.7 51.1 51.3 26.8 8.8 22.3 36 36 A K E < -DE 31 42B 106 -5,-1.4 -5,-3.0 6,-0.2 6,-0.2 -0.991 45.7-138.1-129.2 134.1 29.4 11.5 23.2 37 37 A T E > -D 30 0B 0 4,-2.3 3,-3.4 -2,-0.4 -7,-0.2 -0.566 29.7-110.8 -88.7 154.1 32.1 12.8 20.9 38 38 A E T 3 S+ 0 0 53 -9,-2.4 -8,-0.1 1,-0.3 -1,-0.1 0.399 120.5 64.3 -63.4 7.5 35.7 13.4 22.1 39 39 A A T 3 S- 0 0 47 -10,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.349 118.7-110.8-108.9 -0.9 34.7 17.0 21.5 40 40 A G S < S+ 0 0 43 -3,-3.4 -2,-0.1 681,-0.3 3,-0.1 -0.133 74.4 130.2 98.7 -37.4 32.0 16.9 24.2 41 41 A E - 0 0 85 1,-0.1 -4,-2.3 -5,-0.1 2,-0.9 0.024 69.3-107.8 -50.7 154.5 29.0 17.1 21.9 42 42 A D B >> -E 36 0B 75 -6,-0.2 3,-2.9 1,-0.2 4,-0.6 -0.790 28.4-146.2 -86.1 107.5 26.0 14.8 22.1 43 43 A F H >> S+ 0 0 0 -8,-1.5 4,-2.8 -2,-0.9 3,-0.6 0.709 92.3 73.7 -50.2 -24.4 26.7 12.7 19.0 44 44 A L H 34 S+ 0 0 59 -9,-0.6 -1,-0.3 1,-0.3 6,-0.1 0.687 93.1 56.7 -65.1 -15.8 22.9 12.3 18.4 45 45 A T H <4 S+ 0 0 108 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.794 109.1 43.8 -82.7 -31.5 23.0 15.9 17.3 46 46 A V H << S+ 0 0 19 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.1 0.917 138.4 7.7 -77.3 -46.0 25.6 15.2 14.6 47 47 A N >< - 0 0 13 -4,-2.8 3,-2.6 1,-0.1 -1,-0.3 -0.883 68.7-153.0-140.0 104.1 23.8 12.0 13.5 48 48 A P T 3 S+ 0 0 111 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.715 95.1 59.5 -48.4 -27.9 20.3 11.3 15.0 49 49 A S T 3 S- 0 0 61 2,-0.1 -5,-0.1 1,-0.0 3,-0.1 0.668 104.7-130.3 -77.2 -15.1 20.7 7.5 14.6 50 50 A G < + 0 0 5 -3,-2.6 2,-0.3 1,-0.3 -15,-0.1 0.650 62.4 131.1 76.3 15.7 23.7 7.6 16.8 51 51 A K - 0 0 100 -4,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.757 47.6-109.0-107.4 149.9 25.8 5.6 14.3 52 52 A V S S+ 0 0 14 -2,-0.3 -42,-0.2 -3,-0.1 2,-0.1 -0.768 79.7 62.8-107.7 158.3 29.2 6.1 12.8 53 53 A P + 0 0 7 0, 0.0 12,-0.6 0, 0.0 2,-0.3 0.586 61.8 156.3 -79.5 164.9 30.6 6.8 10.3 54 54 A A E -BC 4 64A 0 -50,-0.8 -50,-3.1 10,-0.2 2,-0.5 -0.965 23.8-156.1-150.0 139.1 29.3 10.3 9.8 55 55 A L E -BC 3 63A 0 8,-2.9 8,-3.5 -2,-0.3 2,-0.7 -0.957 5.7-155.6-127.4 116.0 31.1 13.0 7.7 56 56 A T E -BC 2 62A 28 -54,-2.6 -54,-2.0 -2,-0.5 6,-0.3 -0.816 27.7-139.4 -89.4 119.7 30.6 16.7 8.2 57 57 A L > - 0 0 10 4,-3.3 3,-1.9 -2,-0.7 -1,-0.0 -0.273 19.0-114.4 -76.8 161.0 31.5 18.3 4.8 58 58 A D T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.655 117.8 62.7 -69.6 -12.0 33.5 21.5 4.3 59 59 A S T 3 S- 0 0 64 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.366 122.8-103.8 -92.2 3.2 30.2 22.9 2.9 60 60 A G S < S+ 0 0 58 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.010 81.3 112.4 105.4 -29.6 28.5 22.4 6.2 61 61 A E - 0 0 81 -5,-0.1 -4,-3.3 1,-0.0 2,-0.5 -0.312 59.8-128.1 -79.4 162.0 26.3 19.3 5.8 62 62 A T E -C 56 0A 57 -6,-0.3 2,-0.4 -2,-0.1 -6,-0.3 -0.949 21.9-157.8-114.3 121.2 26.7 16.0 7.6 63 63 A L E -C 55 0A 11 -8,-3.5 -8,-2.9 -2,-0.5 2,-0.3 -0.777 9.3-172.0-101.0 139.9 26.7 12.9 5.4 64 64 A T E +C 54 0A 33 -2,-0.4 4,-0.2 -10,-0.2 -10,-0.2 -0.842 42.8 60.8-126.1 165.9 25.8 9.4 6.6 65 65 A E S > S- 0 0 30 -12,-0.6 4,-2.5 -2,-0.3 3,-0.5 0.719 73.0-115.3 83.8 115.1 26.0 5.8 5.1 66 66 A N H > S+ 0 0 7 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.825 110.4 55.1 -46.7 -47.0 29.4 4.4 4.1 67 67 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.949 114.2 41.4 -56.5 -46.4 28.7 4.1 0.3 68 68 A A H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.944 118.5 45.5 -64.6 -49.5 27.8 7.8 0.1 69 69 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.928 114.4 48.6 -59.9 -47.7 30.6 8.9 2.4 70 70 A L H X S+ 0 0 0 -4,-3.6 4,-2.2 -5,-0.2 -1,-0.2 0.914 112.7 47.5 -60.4 -44.6 33.1 6.7 0.6 71 71 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.925 112.2 50.3 -63.5 -43.6 32.1 7.9 -2.8 72 72 A Y H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.920 108.6 52.1 -59.8 -45.9 32.2 11.5 -1.7 73 73 A I H < S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.929 112.1 45.9 -58.2 -45.5 35.7 11.0 -0.2 74 74 A A H >< S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 8,-0.3 0.915 109.1 54.8 -64.4 -43.5 37.0 9.6 -3.5 75 75 A D H 3< S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.775 94.3 69.2 -62.3 -29.2 35.4 12.3 -5.7 76 76 A Q T 3< S+ 0 0 99 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.755 109.2 35.3 -63.0 -24.9 37.0 15.1 -3.8 77 77 A N X> + 0 0 53 -3,-1.3 3,-1.8 -4,-0.5 4,-0.6 -0.715 62.6 173.9-132.1 85.9 40.4 14.0 -5.2 78 78 A P T 34 S+ 0 0 111 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.739 78.2 69.0 -62.4 -20.3 40.1 12.8 -8.8 79 79 A A T 34 S+ 0 0 95 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.698 94.8 56.4 -71.0 -17.9 43.9 12.5 -9.0 80 80 A S T <4 S- 0 0 40 -3,-1.8 -1,-0.2 -6,-0.3 -5,-0.1 0.730 92.3-150.6 -84.3 -24.7 43.7 9.6 -6.5 81 81 A G < + 0 0 47 -4,-0.6 -2,-0.1 -3,-0.5 -6,-0.1 0.861 41.7 147.7 57.1 43.1 41.4 7.6 -8.7 82 82 A L S S+ 0 0 6 -5,-0.4 71,-2.4 -8,-0.3 72,-0.3 0.406 70.6 23.7 -88.0 3.0 39.7 5.7 -5.8 83 83 A A S S- 0 0 17 69,-0.2 -1,-0.1 -9,-0.2 8,-0.1 -0.952 94.6 -95.7-161.2 142.6 36.4 5.6 -7.7 84 84 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.194 52.0 -91.6 -61.0 160.6 35.5 5.7 -11.4 85 85 A A > - 0 0 73 1,-0.1 3,-1.7 2,-0.1 6,-0.3 -0.365 47.0 -90.9 -73.3 151.3 34.5 9.1 -12.9 86 86 A E T 3 S+ 0 0 51 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.253 111.9 34.8 -57.4 146.4 30.9 10.2 -13.1 87 87 A G T 3 S+ 0 0 50 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.216 90.8 115.7 92.4 -16.8 29.2 9.3 -16.3 88 88 A S X> - 0 0 39 -3,-1.7 3,-1.6 1,-0.1 4,-0.6 -0.659 68.7-134.8 -91.3 145.5 31.1 6.0 -16.7 89 89 A L H >> S+ 0 0 51 -2,-0.3 3,-1.4 1,-0.3 4,-1.3 0.882 105.6 68.4 -60.2 -37.0 29.3 2.6 -16.6 90 90 A D H 3> S+ 0 0 50 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.708 88.4 65.4 -56.3 -21.9 32.1 1.5 -14.3 91 91 A R H <> S+ 0 0 14 -3,-1.6 4,-2.4 -6,-0.3 -1,-0.3 0.866 100.0 49.4 -70.8 -35.3 30.7 3.9 -11.6 92 92 A Y H S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 5,-1.5 0.938 113.4 49.4 -65.7 -46.2 26.2 -5.2 -1.7 101 101 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 3,-0.2 6,-0.2 0.887 118.1 39.3 -59.7 -43.4 28.9 -4.7 1.0 102 102 A G H <5S+ 0 0 5 -4,-2.4 5,-0.2 -5,-0.2 -2,-0.2 0.880 125.1 34.4 -78.1 -37.7 26.7 -2.4 3.0 103 103 A S H <5S+ 0 0 6 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.790 133.0 17.4 -89.0 -31.0 23.3 -4.1 2.7 104 104 A E T X5S+ 0 0 29 -4,-2.8 4,-1.5 -5,-0.3 -3,-0.2 0.833 127.2 35.6-105.8 -64.5 24.3 -7.8 2.6 105 105 A F H >>>X S+ 0 0 66 -4,-0.8 3,-1.7 1,-0.3 4,-1.3 0.799 85.1 51.8 -30.9 -59.2 25.2 -7.6 13.1 111 111 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 6,-0.2 0.812 108.2 53.6 -53.3 -32.3 23.8 -10.6 15.1 112 112 A L H <4 S+ 0 0 23 -3,-2.3 -2,-0.2 -4,-0.2 -3,-0.1 0.675 111.4 44.7 -76.6 -19.6 27.4 -11.6 16.0 113 113 A F H << S+ 0 0 87 -3,-1.7 -1,-0.2 -4,-0.9 -3,-0.1 0.533 95.2 95.2 -99.4 -12.0 28.2 -8.2 17.3 114 114 A A < - 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