==== 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 04-MAR-10 3M1G . COMPND 2 MOLECULE: PUTATIVE GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR M.E.CUFF,N.MARSHALL,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR S . 891 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 555 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 41 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 3 0 0 0 4 8 0 3 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 . 6 6 0 3 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 3 0 3 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 26 A N 0 0 151 0, 0.0 2,-0.5 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 48.4 21.4 28.7 9.2 2 27 A Y - 0 0 147 86,-0.0 2,-0.5 2,-0.0 88,-0.1 -0.668 360.0-169.2 -68.1 116.6 24.9 29.8 8.1 3 28 A I + 0 0 47 -2,-0.5 86,-2.8 1,-0.1 87,-0.7 -0.958 17.1 172.3-122.2 114.8 26.2 32.2 10.9 4 29 A D B +A 88 0A 63 -2,-0.5 84,-0.2 84,-0.2 20,-0.1 -0.127 26.6 135.0-121.1 35.2 29.3 34.3 10.2 5 30 A D - 0 0 17 82,-0.8 2,-0.3 19,-0.1 85,-0.3 -0.304 45.4-139.6 -62.5 167.7 29.5 36.6 13.2 6 31 A R E -e 26 0B 76 19,-1.7 21,-3.0 82,-0.1 2,-0.6 -0.962 9.8-133.3-136.7 148.6 33.1 36.8 14.6 7 32 A I E +e 27 0B 3 -2,-0.3 2,-0.3 19,-0.2 94,-0.1 -0.945 41.3 179.9-100.5 120.2 34.7 36.9 18.0 8 33 A V E > -e 28 0B 2 19,-3.1 21,-1.9 -2,-0.6 3,-0.8 -0.851 42.6-127.5-131.2 157.8 37.3 39.6 18.0 9 34 A A T 3 S+ 0 0 57 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.755 102.5 63.4 -70.5 -28.0 39.9 41.4 20.1 10 35 A D T 3 S+ 0 0 109 17,-0.1 -1,-0.2 2,-0.1 16,-0.0 0.266 87.2 76.6 -93.9 16.0 38.6 44.9 19.4 11 36 A V S < S- 0 0 4 -3,-0.8 18,-0.5 16,-0.2 2,-0.1 -0.992 89.4-120.5-114.8 131.0 35.2 44.4 21.1 12 37 A P > - 0 0 12 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.357 29.4 -85.7 -84.1 158.2 35.6 44.6 24.8 13 38 A A T 3 S+ 0 0 7 1,-0.3 3,-0.1 16,-0.1 17,-0.1 -0.171 111.7 20.8 -61.9 136.9 34.8 41.9 27.4 14 39 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 14,-0.1 855,-0.1 0.206 92.5 136.2 92.6 -15.3 31.2 41.8 28.6 15 40 A S < - 0 0 12 -3,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.301 58.3-116.7 -65.9 148.5 29.9 43.7 25.6 16 41 A E - 0 0 66 1,-0.1 -1,-0.1 -3,-0.1 10,-0.1 -0.333 56.4 -74.4 -61.8 159.6 26.8 42.8 23.7 17 42 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.417 53.0-131.7 -62.5 141.4 27.5 41.8 20.0 18 43 A I E -F 26 0B 21 8,-2.9 8,-2.3 -3,-0.1 2,-0.1 -0.876 15.2-120.5-106.6 122.6 28.3 44.9 18.0 19 44 A A E -F 25 0B 71 -2,-0.5 2,-0.3 6,-0.2 6,-0.2 -0.378 27.0-155.7 -65.3 133.3 26.7 45.5 14.6 20 45 A Q > - 0 0 62 4,-2.8 3,-2.2 -2,-0.1 -1,-0.0 -0.763 28.9-109.9-102.7 155.1 29.0 45.8 11.6 21 46 A E T 3 S+ 0 0 209 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.777 115.8 61.3 -52.2 -30.3 28.3 47.5 8.3 22 47 A D T 3 S- 0 0 117 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.365 121.0-103.3 -85.8 9.6 28.1 44.2 6.5 23 48 A G S < S+ 0 0 59 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.248 88.4 108.2 89.2 -8.9 25.2 43.0 8.6 24 49 A T - 0 0 10 -20,-0.1 -4,-2.8 -5,-0.1 2,-0.4 -0.314 62.4-126.6 -88.4 177.9 27.2 40.7 10.8 25 50 A F E - F 0 19B 85 -6,-0.2 -19,-1.7 62,-0.2 2,-0.5 -0.952 7.8-141.6-126.1 148.9 28.0 41.2 14.5 26 51 A H E -eF 6 18B 22 -8,-2.3 -8,-2.9 -2,-0.4 -19,-0.2 -0.945 16.6-163.0-111.5 129.5 31.3 41.1 16.3 27 52 A W E -e 7 0B 4 -21,-3.0 -19,-3.1 -2,-0.5 2,-0.3 -0.681 24.8-101.5-106.2 159.6 31.5 39.6 19.8 28 53 A P E -e 8 0B 0 0, 0.0 2,-0.3 0, 0.0 -19,-0.2 -0.643 25.2-120.6 -88.3 136.8 34.3 40.1 22.4 29 54 A V + 0 0 16 -21,-1.9 2,-0.3 -18,-0.5 -16,-0.1 -0.583 53.0 143.1 -66.8 129.9 37.1 37.6 23.1 30 55 A E > - 0 0 15 -2,-0.3 3,-0.7 30,-0.1 4,-0.4 -0.901 49.3 -99.9-164.4 155.4 36.8 36.6 26.8 31 56 A A T 3 S+ 0 0 39 -2,-0.3 30,-0.2 1,-0.2 29,-0.1 -0.488 97.6 15.4 -77.4 145.9 37.3 33.6 28.9 32 57 A G T 3 S+ 0 0 56 28,-2.3 -1,-0.2 2,-0.2 29,-0.1 0.652 100.3 92.2 75.3 12.9 34.5 31.4 30.2 33 58 A R S < S+ 0 0 35 -3,-0.7 48,-2.1 27,-0.5 49,-0.4 0.751 77.3 50.1-105.9 -32.4 31.8 32.8 27.8 34 59 A Y E -B 80 0A 1 26,-0.4 28,-1.8 -4,-0.4 2,-0.4 -0.789 57.4-154.0-119.1 153.3 31.9 30.5 24.7 35 60 A R E -Bc 79 62A 87 44,-2.7 44,-2.7 -2,-0.3 2,-0.6 -0.977 15.5-137.6-124.1 133.8 31.8 26.8 24.0 36 61 A L E -Bc 78 63A 0 26,-3.4 28,-3.0 -2,-0.4 2,-0.6 -0.824 18.7-159.6 -86.4 121.0 33.3 25.0 20.9 37 62 A V E +Bc 77 64A 21 40,-3.2 40,-1.8 -2,-0.6 2,-0.2 -0.935 28.3 153.9-107.2 116.4 30.7 22.4 19.8 38 63 A A E - c 0 65A 0 26,-3.0 28,-2.6 -2,-0.6 2,-0.4 -0.737 37.1-133.9-133.8 175.3 32.5 19.8 17.7 39 64 A A > - 0 0 2 3,-0.2 3,-0.6 26,-0.2 7,-0.1 -0.989 15.4-137.6-137.3 135.6 32.3 16.1 16.6 40 65 A R T 3 S+ 0 0 15 26,-0.4 191,-0.3 -2,-0.4 195,-0.1 0.851 103.5 50.0 -56.0 -37.2 35.2 13.6 16.6 41 66 A A T 3 S+ 0 0 6 193,-0.1 -1,-0.2 189,-0.1 26,-0.1 0.750 90.5 90.2 -76.3 -24.8 34.2 12.2 13.2 42 67 A C <> - 0 0 4 -3,-0.6 4,-2.0 1,-0.1 -3,-0.2 -0.623 60.5-156.9 -86.2 122.1 33.9 15.5 11.4 43 68 A P H > S+ 0 0 4 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.842 94.0 54.5 -65.4 -34.1 37.0 16.8 9.6 44 69 A W H > S+ 0 0 13 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.929 112.6 44.0 -64.9 -44.0 35.8 20.4 9.6 45 70 A A H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.855 103.7 65.5 -64.3 -37.4 35.3 20.2 13.3 46 71 A H H 3X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.897 94.9 58.7 -56.0 -41.7 38.6 18.4 13.8 47 72 A R H 3X S+ 0 0 6 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.902 106.7 47.6 -50.5 -45.3 40.5 21.6 12.5 48 73 A T H S+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 4,-0.9 0.903 114.0 43.0 -55.7 -44.6 42.3 24.9 20.3 53 78 A R H ><5S+ 0 0 13 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.937 112.4 50.9 -67.4 -48.3 44.7 22.4 21.7 54 79 A L H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 115.5 43.0 -58.2 -40.4 47.8 23.7 19.9 55 80 A L H 3<5S- 0 0 0 -4,-2.5 52,-2.6 -5,-0.2 -1,-0.2 0.591 110.5-117.4 -84.0 -14.0 47.2 27.3 21.1 56 81 A G T <<5 + 0 0 13 -4,-0.9 3,-0.3 -3,-0.7 -3,-0.2 0.885 69.6 135.8 77.3 40.4 46.2 26.4 24.7 57 82 A L >>< + 0 0 0 -5,-2.5 4,-2.0 -6,-0.2 3,-1.5 0.315 38.8 101.1 -96.3 8.6 42.7 27.7 24.5 58 83 A E T 34 S+ 0 0 27 -6,-0.5 -1,-0.2 1,-0.3 5,-0.1 0.782 80.8 48.8 -67.1 -29.9 41.3 24.7 26.3 59 84 A N T 34 S+ 0 0 136 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.430 117.5 40.1 -89.4 0.5 41.0 26.5 29.6 60 85 A V T <4 S+ 0 0 19 -3,-1.5 -28,-2.3 1,-0.3 -27,-0.5 0.636 116.0 43.1-120.6 -20.9 39.2 29.5 28.2 61 86 A I S < S- 0 0 1 -4,-2.0 -1,-0.3 -30,-0.2 -26,-0.2 -0.999 83.2-137.6-123.5 124.7 36.7 28.0 25.6 62 87 A S E -c 35 0A 29 -28,-1.8 -26,-3.4 -2,-0.4 2,-0.4 -0.250 13.7-127.1 -79.5 172.1 34.9 24.9 26.7 63 88 A L E -c 36 0A 23 -28,-0.2 2,-0.4 -5,-0.1 -26,-0.2 -0.985 19.4-175.4-130.9 124.5 34.3 21.8 24.5 64 89 A G E -c 37 0A 14 -28,-3.0 -26,-3.0 -2,-0.4 2,-0.4 -0.985 14.4-151.6-114.6 131.4 31.0 20.0 23.7 65 90 A L E +c 38 0A 79 -2,-0.4 -26,-0.2 -28,-0.2 2,-0.2 -0.909 31.6 141.3-104.9 130.5 31.2 16.8 21.6 66 91 A T - 0 0 84 -28,-2.6 -26,-0.4 -2,-0.4 9,-0.0 -0.592 50.0 -59.8-141.5-164.4 28.1 15.8 19.4 67 92 A G - 0 0 38 -2,-0.2 8,-0.1 -28,-0.1 -28,-0.0 -0.667 54.6 -97.4 -91.0 152.5 27.4 14.3 16.0 68 93 A P + 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.163 32.9 175.6 -64.0 160.0 28.4 15.6 12.5 69 94 A T + 0 0 66 6,-0.3 5,-0.1 -30,-0.1 -2,-0.0 0.586 66.7 65.7-133.8 -30.6 26.2 17.7 10.2 70 95 A H 0 0 77 5,-0.4 4,-0.0 1,-0.0 -28,-0.0 0.673 360.0 360.0 -73.4 -20.7 28.2 18.8 7.1 71 96 A D 0 0 52 67,-0.0 -29,-0.0 0, 0.0 -1,-0.0 -0.372 360.0 360.0 -64.6 360.0 28.6 15.3 5.6 72 ! 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 73 133 A I 0 0 128 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 148.5 22.8 22.8 15.1 74 134 A T - 0 0 30 -73,-0.2 -37,-0.1 -5,-0.1 0, 0.0 -0.461 360.0-105.9 -64.2 135.8 25.6 22.8 12.5 75 135 A V S S+ 0 0 0 -2,-0.2 -5,-0.4 -8,-0.1 -6,-0.3 -0.887 92.5 40.9-116.5 144.4 29.0 21.6 13.7 76 136 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -38,-0.2 0.637 82.2 151.8 -73.8 154.1 31.6 23.0 14.4 77 137 A A E -B 37 0A 0 -40,-1.8 -40,-3.2 -2,-0.1 2,-0.5 -0.990 44.7-132.9-145.8 147.6 30.1 26.0 16.1 78 138 A L E -BD 36 88A 4 10,-2.4 9,-2.4 -2,-0.3 10,-1.5 -0.926 33.5-168.4 -98.3 127.2 31.1 28.5 18.8 79 139 A V E -BD 35 86A 15 -44,-2.7 -44,-2.7 -2,-0.5 2,-0.7 -0.951 27.0-122.3-121.2 135.8 28.1 28.9 21.2 80 140 A E E > -B 34 0A 22 5,-2.7 4,-1.9 -2,-0.4 5,-0.4 -0.717 26.5-148.8 -75.3 113.1 27.5 31.5 23.9 81 141 A E T 4 S+ 0 0 72 -48,-2.1 -1,-0.2 -2,-0.7 -47,-0.1 0.864 88.4 49.4 -54.4 -44.3 27.1 29.2 27.0 82 142 A S T 4 S+ 0 0 106 -49,-0.4 -1,-0.2 1,-0.2 -48,-0.1 0.868 126.7 22.9 -67.7 -37.5 24.6 31.3 28.9 83 143 A S T 4 S- 0 0 53 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.486 92.6-132.3-104.5 -10.5 22.1 32.0 26.1 84 144 A K < + 0 0 160 -4,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.615 52.6 152.9 55.3 16.6 22.9 29.0 23.9 85 145 A K - 0 0 104 -5,-0.4 -5,-2.7 1,-0.1 2,-0.7 -0.540 50.3-120.3 -71.5 141.3 23.0 31.4 20.9 86 146 A V E - D 0 79A 24 -2,-0.2 -7,-0.2 -7,-0.2 3,-0.1 -0.696 27.7-174.4 -80.4 117.9 25.2 30.2 18.0 87 147 A V E - 0 0 0 -9,-2.4 -82,-0.8 -2,-0.7 2,-0.3 0.928 64.5 -13.7 -76.9 -49.9 27.8 32.9 17.6 88 148 A T E +AD 4 78A 3 -10,-1.5 -10,-2.4 -84,-0.2 -1,-0.3 -0.986 36.5 178.4-156.2 145.5 29.4 31.4 14.5 89 149 A N + 0 0 10 -86,-2.8 2,-1.4 -2,-0.3 -85,-0.2 0.041 52.8 119.7-125.2 21.5 29.6 28.2 12.3 90 150 A D >> - 0 0 29 -87,-0.7 4,-1.7 -85,-0.3 3,-0.6 -0.679 46.1-170.1 -87.1 89.6 31.9 29.7 9.8 91 151 A Y H 3> S+ 0 0 33 -2,-1.4 4,-1.4 1,-0.2 5,-0.2 0.808 76.2 57.2 -63.1 -33.0 34.7 27.1 10.3 92 152 A P H 3> S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.928 111.4 43.2 -62.2 -41.2 37.4 28.9 8.2 93 153 A S H <> S+ 0 0 21 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.807 104.4 67.1 -75.3 -21.7 37.2 32.1 10.3 94 154 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.954 107.0 37.4 -60.9 -49.6 37.0 30.1 13.5 95 155 A T H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.893 116.5 51.7 -75.0 -36.0 40.6 28.9 13.2 96 156 A I H X S+ 0 0 26 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.961 113.5 45.8 -61.8 -46.0 41.9 32.1 11.8 97 157 A D H X>S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.2 5,-1.4 0.887 106.0 58.3 -68.0 -36.3 40.3 34.0 14.6 98 158 A F H <5S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.915 113.9 41.8 -53.6 -44.3 41.6 31.5 17.2 99 159 A N H <5S+ 0 0 6 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.894 130.0 21.9 -67.7 -45.3 45.1 32.4 15.9 100 160 A L H <5S+ 0 0 39 -4,-2.4 3,-0.3 -5,-0.1 -3,-0.2 0.826 127.3 39.0-101.5 -36.2 44.8 36.2 15.5 101 161 A E T <5S+ 0 0 42 -4,-2.1 3,-0.3 -5,-0.3 -3,-0.2 0.807 116.4 48.2 -88.2 -28.1 42.0 37.4 17.8 102 162 A W S >>4 + 0 0 113 -3,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.774 68.5 56.7 -48.1 -41.6 46.3 35.8 21.0 104 164 A Q G 34 S+ 0 0 93 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.663 108.5 49.6 -72.0 -10.6 46.3 37.2 24.6 105 165 A F G <4 S+ 0 0 33 -3,-2.5 -1,-0.2 755,-0.1 -2,-0.2 0.427 86.8 111.4-102.6 -4.7 44.7 34.0 25.8 106 166 A H S << S- 0 0 34 -3,-1.0 -50,-0.2 -4,-0.5 -49,-0.1 -0.348 83.3 -91.0 -61.4 153.7 47.1 31.6 24.1 107 167 A R > - 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