==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-12 4GLT . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,W.D.ZENCHECK,B.HILLERICH,R.D.SE . 821 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 40 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 373 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 11 0 0 0 0 4 0 3 3 2 0 0 4 0 0 0 0 4 0 0 0 0 0 0 3 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 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 ANTIPARALLEL 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 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 -5 A N 0 0 182 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-138.9 -25.2 -37.6 21.3 2 -4 A L > - 0 0 124 0, 0.0 3,-0.6 0, 0.0 2,-0.2 -0.986 360.0-141.1-136.9 135.1 -28.9 -37.9 20.7 3 -3 A Y T 3 S+ 0 0 207 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.507 88.9 25.0 -80.9 156.1 -31.3 -40.0 18.6 4 -2 A F T 3 S+ 0 0 205 1,-0.2 -1,-0.2 -2,-0.2 2,-0.0 0.720 85.3 174.6 62.2 21.1 -34.3 -38.6 16.8 5 -1 A Q < - 0 0 42 -3,-0.6 -1,-0.2 56,-0.1 2,-0.2 -0.309 21.7-137.9 -57.6 136.2 -32.5 -35.2 16.8 6 0 A S - 0 0 51 -3,-0.1 2,-0.2 1,-0.1 26,-0.1 -0.528 32.0 -83.8 -89.5 164.3 -34.3 -32.5 14.9 7 1 A M - 0 0 22 24,-0.4 26,-2.5 -2,-0.2 2,-0.4 -0.491 48.2-143.4 -62.8 136.2 -32.7 -30.0 12.5 8 2 A K E -aB 33 59A 67 51,-3.0 51,-3.1 24,-0.2 2,-0.6 -0.898 9.9-158.9-109.8 133.8 -31.4 -27.1 14.6 9 3 A L E -aB 34 58A 1 24,-2.4 26,-1.6 -2,-0.4 49,-0.2 -0.866 10.0-150.3-113.9 99.5 -31.5 -23.5 13.4 10 4 A L E +aB 35 57A 3 47,-2.3 47,-1.0 -2,-0.6 2,-0.3 -0.459 35.2 151.2 -64.8 133.5 -29.0 -21.2 15.1 11 5 A Y E -a 36 0A 28 24,-2.1 26,-2.8 -2,-0.2 2,-0.2 -0.986 37.4-136.7-159.6 160.5 -30.3 -17.7 15.2 12 6 A S - 0 0 21 -2,-0.3 26,-0.1 24,-0.2 6,-0.0 -0.701 33.7-109.4-114.1 172.4 -30.3 -14.4 17.1 13 7 A N S S+ 0 0 36 -2,-0.2 194,-0.8 24,-0.2 23,-0.0 0.653 112.9 36.4 -78.2 -16.1 -33.3 -12.2 18.0 14 8 A T S S+ 0 0 23 192,-0.2 -1,-0.2 160,-0.0 160,-0.1 0.621 81.0 116.7-111.8 -16.2 -32.4 -9.3 15.6 15 9 A S > - 0 0 15 1,-0.2 4,-2.3 2,-0.1 3,-0.2 -0.387 43.7-165.7 -65.2 112.7 -31.0 -11.1 12.5 16 10 A P H > S+ 0 0 11 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.758 91.5 54.7 -71.2 -22.8 -33.2 -10.4 9.5 17 11 A Y H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.843 108.9 47.6 -73.5 -37.6 -31.4 -13.2 7.6 18 12 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.904 109.8 54.0 -66.1 -42.1 -32.3 -15.6 10.4 19 13 A R H X S+ 0 0 5 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.879 103.4 54.6 -61.5 -41.5 -35.8 -14.3 10.4 20 14 A K H X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.920 112.1 46.0 -57.5 -43.5 -36.2 -15.0 6.6 21 15 A V H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.931 112.2 48.9 -64.5 -48.1 -35.1 -18.6 7.5 22 16 A R H X S+ 0 0 25 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.930 111.1 51.3 -59.4 -42.4 -37.5 -18.9 10.5 23 17 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.845 109.1 49.2 -64.7 -35.1 -40.4 -17.6 8.4 24 18 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.917 106.7 57.4 -71.1 -39.8 -39.7 -20.1 5.6 25 19 A A H X>S+ 0 0 5 -4,-2.3 5,-2.8 1,-0.2 4,-0.5 0.882 109.5 44.8 -55.0 -43.6 -39.6 -22.9 8.1 26 20 A A H ><5S+ 0 0 45 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.912 111.7 51.7 -69.2 -44.2 -43.1 -22.0 9.4 27 21 A E H 3<5S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.885 111.0 47.3 -62.7 -38.4 -44.5 -21.7 5.9 28 22 A K H 3<5S- 0 0 1 -4,-2.8 54,-0.3 -5,-0.1 -1,-0.3 0.665 110.6-127.0 -73.9 -14.0 -43.2 -25.1 4.9 29 23 A R T <<5 + 0 0 177 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.939 53.2 158.1 65.2 44.3 -44.6 -26.4 8.1 30 24 A I < - 0 0 26 -5,-2.8 2,-0.5 -6,-0.1 -1,-0.2 -0.902 41.8-131.2-103.7 129.4 -41.3 -27.9 9.0 31 25 A D + 0 0 131 -2,-0.5 -24,-0.4 -3,-0.1 2,-0.4 -0.671 36.1 173.3 -78.0 126.7 -40.6 -28.7 12.7 32 26 A V - 0 0 20 -2,-0.5 2,-1.0 -26,-0.1 -24,-0.2 -0.992 38.9-122.0-142.6 129.6 -37.2 -27.2 13.6 33 27 A D E -a 8 0A 69 -26,-2.5 -24,-2.4 -2,-0.4 2,-0.6 -0.569 34.4-153.5 -68.6 102.0 -35.3 -26.9 16.8 34 28 A M E -a 9 0A 67 -2,-1.0 2,-0.7 -26,-0.2 -24,-0.2 -0.716 8.8-163.7 -87.2 117.7 -34.8 -23.2 16.9 35 29 A V E -a 10 0A 38 -26,-1.6 -24,-2.1 -2,-0.6 2,-0.1 -0.840 10.2-147.1-111.6 102.2 -31.7 -22.3 19.0 36 30 A L E -a 11 0A 70 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.421 31.0-173.9 -60.7 135.2 -31.4 -18.6 20.1 37 31 A V - 0 0 12 -26,-2.8 2,-0.5 -2,-0.1 -24,-0.2 -0.891 30.6-140.1-137.4 159.9 -27.7 -17.9 20.1 38 32 A V > - 0 0 21 -2,-0.3 3,-0.7 6,-0.2 6,-0.2 -0.996 18.9-144.7-121.4 125.1 -25.1 -15.3 21.1 39 33 A L T 3 S+ 0 0 88 -2,-0.5 7,-0.3 1,-0.3 -1,-0.1 0.861 95.9 50.6 -61.9 -40.8 -22.3 -14.9 18.6 40 34 A A T 3 S+ 0 0 50 -3,-0.1 -1,-0.3 403,-0.1 404,-0.2 0.805 87.7 114.6 -63.1 -32.4 -19.6 -14.2 21.1 41 35 A D < - 0 0 12 -3,-0.7 5,-0.3 402,-0.1 402,-0.1 -0.049 54.0-154.6 -60.6 139.2 -20.4 -17.1 23.3 42 36 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 401,-0.1 0.814 86.2 66.8 -71.3 -39.0 -18.1 -20.1 23.9 43 37 A E S S+ 0 0 71 1,-0.3 -2,-0.0 399,-0.1 399,-0.0 0.890 113.1 30.9 -60.6 -42.5 -20.7 -22.8 24.9 44 38 A C S S- 0 0 47 -6,-0.2 2,-0.9 3,-0.0 -1,-0.3 -0.938 82.3-165.6-113.8 106.4 -22.2 -22.8 21.4 45 39 A P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.822 8.1-169.0 -99.9 109.8 -19.4 -22.0 19.0 46 40 A V G >> S+ 0 0 8 -2,-0.9 4,-3.8 -7,-0.3 3,-2.9 0.851 80.7 71.1 -62.6 -38.3 -20.8 -21.1 15.7 47 41 A A G 34 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.2 6,-0.0 0.702 89.7 61.6 -55.1 -24.8 -17.4 -21.3 14.1 48 42 A D G <4 S+ 0 0 129 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.651 119.5 26.4 -76.2 -15.8 -17.4 -25.0 14.4 49 43 A H T <4 S+ 0 0 58 -3,-2.9 -2,-0.2 1,-0.3 16,-0.2 0.710 135.8 28.2-115.0 -38.2 -20.5 -25.2 12.2 50 44 A N >< - 0 0 2 -4,-3.8 3,-1.8 1,-0.1 -1,-0.3 -0.944 65.2-161.8-124.5 110.7 -20.1 -22.0 10.1 51 45 A P T 3 S+ 0 0 8 0, 0.0 292,-0.2 0, 0.0 291,-0.2 0.802 92.2 63.3 -60.8 -29.5 -16.5 -21.0 9.7 52 46 A L T 3 S- 0 0 8 290,-0.1 -5,-0.1 2,-0.1 287,-0.1 0.728 106.9-130.1 -63.6 -24.4 -17.6 -17.5 8.7 53 47 A G < + 0 0 21 -3,-1.8 2,-0.4 1,-0.2 -6,-0.2 0.723 59.6 137.5 80.0 25.5 -19.0 -17.2 12.2 54 48 A K - 0 0 93 -8,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.835 45.9-104.3-117.5 141.9 -22.4 -16.0 10.9 55 49 A I S S+ 0 0 19 -2,-0.4 -44,-0.1 2,-0.0 -37,-0.1 -0.709 83.8 56.7 -96.6 152.0 -26.0 -16.8 11.8 56 50 A P + 0 0 5 0, 0.0 2,-0.4 0, 0.0 12,-0.2 0.574 62.8 165.1 -80.1 156.0 -28.3 -18.3 10.7 57 51 A V E -B 10 0A 0 -47,-1.0 -47,-2.3 -2,-0.1 2,-0.7 -0.999 26.3-148.4-128.7 131.2 -26.8 -21.8 10.4 58 52 A L E -BC 9 66A 1 8,-2.7 8,-2.9 -2,-0.4 2,-0.7 -0.898 11.9-163.9 -98.2 112.0 -29.0 -24.9 9.9 59 53 A I E -BC 8 65A 14 -51,-3.1 -51,-3.0 -2,-0.7 6,-0.2 -0.878 11.6-153.9 -94.4 111.9 -27.4 -27.9 11.6 60 54 A L > - 0 0 5 4,-2.6 3,-3.4 -2,-0.7 4,-0.2 -0.367 33.5 -96.2 -82.3 162.5 -28.9 -31.1 10.2 61 55 A P T 3 S+ 0 0 70 0, 0.0 -56,-0.1 0, 0.0 -1,-0.1 0.679 124.2 64.3 -53.8 -21.3 -29.2 -34.5 12.2 62 56 A D T 3 S- 0 0 127 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.675 117.5-115.7 -69.5 -18.8 -26.0 -35.6 10.4 63 57 A G S < S+ 0 0 44 -3,-3.4 2,-0.4 1,-0.4 -1,-0.0 0.569 75.6 134.3 87.0 11.2 -24.3 -32.8 12.2 64 58 A E - 0 0 98 -4,-0.2 -4,-2.6 2,-0.0 2,-0.4 -0.807 45.8-143.1 -96.8 136.6 -23.6 -31.1 8.9 65 59 A S E -C 59 0A 18 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.829 9.2-155.9-112.3 140.2 -24.4 -27.4 8.6 66 60 A L E -C 58 0A 3 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.3 -0.896 22.7-166.2-111.5 133.9 -25.8 -25.3 5.9 67 61 A Y + 0 0 4 -2,-0.4 238,-0.2 -10,-0.2 239,-0.2 -0.911 42.9 49.2-153.7 158.8 -25.3 -21.5 5.6 68 62 A D S >> S- 0 0 44 -2,-0.3 4,-2.4 -12,-0.2 3,-0.6 0.587 74.3-111.3 -88.5-163.3 -25.9 -18.9 4.4 69 63 A S H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.841 115.7 57.4 -58.4 -36.9 -29.5 -18.0 4.5 70 64 A R H 3> S+ 0 0 26 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.885 110.6 42.1 -63.5 -39.7 -29.9 -18.2 0.7 71 65 A V H X> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 3,-1.0 0.947 113.6 53.2 -65.6 -50.3 -28.6 -21.8 0.7 72 66 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.857 106.1 52.9 -55.3 -44.7 -30.7 -22.8 3.8 73 67 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.705 108.1 50.0 -66.0 -25.3 -34.0 -21.5 2.3 74 68 A E H < S+ 0 0 41 -4,-2.3 3,-0.6 1,-0.2 4,-0.2 0.908 112.3 44.6 -50.9 -48.6 -32.9 -26.6 1.1 76 70 A L H >X S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 4,-0.7 0.856 102.8 62.0 -72.8 -36.1 -36.1 -26.2 3.2 77 71 A D H 3< S+ 0 0 21 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 105.5 51.3 -63.0 -17.2 -38.4 -25.3 0.3 78 72 A H T << S+ 0 0 106 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.481 92.4 76.2 -97.1 -9.8 -37.6 -28.8 -1.0 79 73 A R T <4 S+ 0 0 94 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.2 0.842 103.7 20.6 -66.4 -38.9 -38.4 -30.6 2.3 80 74 A T < - 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0 0 13 -5,-3.7 2,-1.3 -6,-0.2 -1,-0.2 -0.863 40.7-138.8-101.7 129.7 -21.8 -18.0 -23.7 235 25 B D + 0 0 113 -2,-0.5 2,-0.3 -5,-0.0 -24,-0.3 -0.602 28.6 179.6 -91.3 82.2 -21.0 -14.8 -25.7 236 26 B V - 0 0 26 -2,-1.3 2,-0.5 -10,-0.1 -24,-0.2 -0.628 33.9-120.0 -83.9 132.9 -21.8 -11.9 -23.3 237 27 B D E -d 212 0B 60 -26,-2.5 -24,-3.4 -2,-0.3 2,-0.4 -0.637 36.5-138.5 -67.0 120.2 -21.2 -8.3 -24.3 238 28 B M E -d 213 0B 83 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.724 17.6-165.5 -95.2 126.9 -18.7 -7.2 -21.7 239 29 B V E -d 214 0B 45 -26,-3.7 -24,-2.0 -2,-0.4 2,-0.2 -0.912 14.4-140.7-118.5 105.7 -19.2 -3.7 -20.1 240 30 B L E -d 215 0B 92 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.462 15.8-169.7 -73.1 132.6 -16.2 -2.4 -18.2 241 31 B V - 0 0 17 -26,-2.6 -24,-0.4 -2,-0.2 2,-0.4 -0.925 9.7-149.0-115.4 141.6 -16.9 -0.5 -15.0 242 32 B V > - 0 0 73 -2,-0.4 3,-2.2 -26,-0.1 -26,-0.0 -0.905 20.8-121.2-118.3 148.1 -14.1 1.4 -13.3 243 33 B L T 3 S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 -27,-0.0 0.764 113.1 50.7 -60.3 -30.6 -13.7 2.1 -9.6 244 34 B A T 3 S+ 0 0 99 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.661 88.1 120.8 -77.8 -15.6 -13.7 5.9 -9.9 245 35 B D < - 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