==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-APR-08 3CRT . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM; . AUTHOR M.SAGERMANN,R.CHAPLEAU,E.DELORIMIER,M.LEI . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 0 2 0 1 0 1 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 226 0, 0.0 60,-0.0 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 -30.6 36.1 49.7 24.3 2 2 A S - 0 0 18 57,-0.1 26,-0.1 27,-0.0 59,-0.1 -0.683 360.0-112.5 179.0 124.4 36.0 46.2 22.9 3 3 A P - 0 0 18 0, 0.0 26,-2.4 0, 0.0 2,-0.4 -0.215 30.8-137.7 -61.1 152.9 34.7 44.6 19.6 4 4 A I E -aB 29 59A 25 55,-2.7 55,-2.3 24,-0.2 2,-0.6 -0.956 12.6-165.0-120.7 132.0 31.8 42.2 19.7 5 5 A L E -aB 30 58A 1 24,-2.2 26,-1.9 -2,-0.4 2,-0.4 -0.958 16.4-167.4-114.0 112.2 31.3 38.9 17.9 6 6 A G E +aB 31 57A 0 51,-2.9 51,-1.7 -2,-0.6 2,-0.3 -0.856 24.9 120.9-107.6 138.2 27.7 37.8 17.9 7 7 A Y E -a 32 0A 16 24,-2.6 26,-2.1 -2,-0.4 -2,-0.0 -0.966 63.7 -64.7-172.5 174.5 26.5 34.3 17.0 8 8 A W E -a 33 0A 69 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.358 59.3-101.8 -68.6 156.9 24.6 31.3 18.2 9 9 A K S S+ 0 0 82 24,-2.2 2,-0.3 23,-0.1 26,-0.1 -0.447 94.5 91.8 -81.9 67.1 26.4 29.5 21.0 10 10 A I S S- 0 0 3 -2,-2.4 193,-0.2 1,-0.2 4,-0.1 -0.889 85.1-112.0-146.5 172.1 27.6 26.8 18.6 11 11 A K S >> S+ 0 0 0 191,-2.7 4,-1.3 -2,-0.3 3,-0.9 0.984 73.2 118.9 -73.1 -66.7 30.7 26.3 16.5 12 12 A G G >4 S- 0 0 5 191,-1.7 3,-0.7 190,-0.3 192,-0.1 0.071 85.5 -13.8 40.9-141.3 29.0 26.7 13.1 13 13 A L G 34 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.711 135.9 50.2 -63.5 -25.6 30.1 29.5 10.8 14 14 A V G X> S+ 0 0 0 -3,-0.9 4,-2.0 1,-0.2 3,-0.8 0.590 76.1 93.9 -97.2 -9.6 32.1 31.4 13.3 15 15 A Q H S+ 0 0 12 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.873 108.5 53.1 -62.6 -32.4 37.4 29.6 12.7 17 17 A T H <> S+ 0 0 3 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.924 106.3 51.6 -66.3 -44.1 37.0 33.3 13.5 18 18 A R H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.921 110.7 49.5 -59.3 -41.5 37.1 32.7 17.2 19 19 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.894 109.5 50.5 -64.8 -40.1 40.4 30.7 16.7 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.921 110.3 50.7 -63.6 -43.5 41.9 33.5 14.6 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.4 0.873 111.8 47.2 -61.2 -39.7 41.0 36.0 17.3 22 22 A E H ><5S+ 0 0 32 -4,-2.0 3,-0.6 -5,-0.2 -1,-0.2 0.864 109.7 53.3 -70.9 -36.5 42.6 33.8 20.0 23 23 A Y H 3<5S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 112.2 44.7 -63.2 -42.0 45.7 33.3 17.9 24 24 A L T 3<5S- 0 0 27 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.498 107.6-127.1 -80.3 -5.4 46.1 37.1 17.5 25 25 A E T < 5 + 0 0 150 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.885 49.7 168.2 56.7 39.7 45.5 37.6 21.2 26 26 A E < - 0 0 50 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.642 35.3-122.0 -83.1 139.4 42.8 40.1 20.1 27 27 A K + 0 0 161 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.661 45.9 150.2 -84.5 134.5 40.4 41.3 22.8 28 28 A Y - 0 0 22 -2,-0.4 2,-0.3 -26,-0.1 -24,-0.2 -0.992 35.0-141.6-159.4 158.3 36.7 40.7 22.2 29 29 A E E -a 4 0A 97 -26,-2.4 -24,-2.2 -2,-0.3 2,-0.4 -0.806 24.1-135.5-116.6 161.2 33.4 40.1 23.9 30 30 A E E -a 5 0A 45 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.956 12.0-153.3-127.6 142.1 30.8 37.7 22.6 31 31 A H E -a 6 0A 66 -26,-1.9 -24,-2.6 -2,-0.4 2,-0.7 -0.935 26.7-173.0-106.1 102.3 27.0 37.8 22.2 32 32 A L E -a 7 0A 50 -2,-0.8 2,-0.6 -26,-0.2 -24,-0.2 -0.879 11.1-154.4-105.7 106.2 26.2 34.1 22.4 33 33 A Y E -a 8 0A 10 -26,-2.1 -24,-2.2 -2,-0.7 5,-0.1 -0.691 15.0-141.7 -82.7 118.1 22.5 33.4 21.7 34 34 A E > - 0 0 77 -2,-0.6 3,-1.9 -26,-0.2 -24,-0.1 -0.219 29.7 -97.8 -71.4 168.2 21.4 30.2 23.4 35 35 A R T 3 S+ 0 0 117 1,-0.3 3,-0.3 -26,-0.1 -1,-0.1 0.759 124.4 49.3 -62.2 -25.3 19.1 27.7 21.7 36 36 A D T 3 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.172 94.6 80.2 -99.1 18.9 16.0 29.1 23.5 37 37 A E <> + 0 0 31 -3,-1.9 4,-1.6 1,-0.2 -1,-0.2 -0.089 44.0 120.2-117.1 36.5 16.9 32.7 22.7 38 38 A G H > S+ 0 0 34 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.866 79.7 53.6 -65.0 -34.7 15.6 33.1 19.1 39 39 A D H > S+ 0 0 120 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 103.8 56.0 -65.5 -39.6 13.3 35.8 20.3 40 40 A K H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.889 108.3 48.0 -59.2 -40.5 16.3 37.6 21.9 41 41 A W H >X S+ 0 0 24 -4,-1.6 4,-3.5 1,-0.2 3,-1.4 0.941 108.8 52.6 -66.1 -48.8 18.1 37.6 18.5 42 42 A R H 3< S+ 0 0 145 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.776 106.9 53.8 -59.9 -26.4 15.0 38.9 16.6 43 43 A N H 3< S+ 0 0 109 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.664 119.8 33.0 -82.1 -15.7 14.7 41.8 19.1 44 44 A K H X< S+ 0 0 60 -3,-1.4 3,-2.0 -4,-0.6 4,-0.4 0.687 94.1 90.7-107.8 -28.3 18.3 42.8 18.4 45 45 A K T 3< S+ 0 0 29 -4,-3.5 3,-0.4 1,-0.3 5,-0.3 0.801 99.5 29.1 -36.1 -52.9 18.6 41.8 14.7 46 46 A F T 3 S+ 0 0 134 -4,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.377 111.8 65.8 -97.3 4.9 17.6 45.2 13.4 47 47 A E S < S+ 0 0 111 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.220 79.8 78.6-110.9 16.6 18.8 47.5 16.2 48 48 A L S S- 0 0 16 -3,-0.4 -1,-0.1 -4,-0.4 3,-0.1 0.548 103.2-113.7 -97.8 -10.5 22.5 46.9 15.8 49 49 A G + 0 0 52 1,-0.3 2,-0.3 -3,-0.2 15,-0.1 0.605 63.7 152.0 87.8 11.7 23.0 49.3 12.9 50 50 A C - 0 0 15 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.621 39.2-154.4 -78.9 131.5 23.9 46.4 10.6 51 51 A E S S+ 0 0 169 13,-0.5 -1,-0.1 -2,-0.3 14,-0.1 0.781 96.7 32.5 -76.3 -27.9 23.0 47.0 6.9 52 52 A F S S- 0 0 150 2,-0.1 -1,-0.3 -3,-0.0 15,-0.1 -0.566 93.0-151.7-128.5 68.6 22.7 43.3 6.2 53 53 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.055 39.9 120.6 -41.5 127.8 21.4 41.9 9.6 54 54 A N - 0 0 75 -9,-0.2 -2,-0.1 13,-0.0 -4,-0.0 -0.964 56.8 -65.1-175.8 176.0 22.5 38.4 10.1 55 55 A L S S+ 0 0 12 -2,-0.3 -48,-0.2 2,-0.0 13,-0.1 -0.998 104.8 43.4-126.2 132.0 24.4 36.0 12.4 56 56 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.519 76.7 170.9 -76.1 166.7 27.4 36.2 12.9 57 57 A Y E -B 6 0A 1 -51,-1.7 -51,-2.9 -2,-0.1 2,-0.4 -0.966 19.6-156.3-139.1 152.2 27.9 39.9 13.3 58 58 A Y E -BC 5 65A 0 7,-3.0 7,-2.2 -2,-0.3 2,-0.6 -0.960 4.4-168.3-136.1 115.3 31.0 41.8 14.4 59 59 A I E +BC 4 64A 31 -55,-2.3 -55,-2.7 -2,-0.4 5,-0.2 -0.926 14.9 165.1-108.3 117.3 30.8 45.3 15.8 60 60 A D - 0 0 35 3,-2.2 4,-0.1 -2,-0.6 -1,-0.1 0.403 55.3-113.1-112.5 -0.2 34.1 47.1 16.1 61 61 A G S S+ 0 0 76 2,-0.6 3,-0.1 1,-0.1 -2,-0.1 0.376 120.9 61.4 79.9 -7.8 33.2 50.7 16.7 62 62 A D S S+ 0 0 134 1,-0.4 2,-0.3 0, 0.0 -1,-0.1 0.564 115.6 13.9-117.3 -28.3 34.7 51.0 13.2 63 63 A V - 0 0 39 2,-0.1 -3,-2.2 -13,-0.0 -2,-0.6 -0.991 50.6-145.6-151.7 155.2 32.3 48.7 11.5 64 64 A K E +C 59 0A 93 -2,-0.3 -13,-0.5 -5,-0.2 2,-0.2 -0.764 44.4 174.5-119.3 77.6 28.9 46.9 11.8 65 65 A L E +C 58 0A 41 -7,-2.2 -7,-3.0 -2,-0.5 -15,-0.1 -0.619 19.0 169.0 -94.2 146.4 29.8 43.8 9.8 66 66 A T + 0 0 11 -9,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.786 42.7 90.0-119.7 -60.5 27.8 40.6 9.2 67 67 A Q >> - 0 0 117 1,-0.1 4,-2.2 3,-0.1 3,-0.6 -0.194 68.9-132.6 -49.3 125.6 28.8 37.9 6.7 68 68 A S H 3> S+ 0 0 6 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.840 104.5 48.1 -49.9 -43.6 31.1 35.3 8.4 69 69 A M H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.856 110.7 51.1 -69.6 -33.2 33.7 35.3 5.6 70 70 A A H <> S+ 0 0 40 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.873 111.1 50.7 -69.2 -35.6 33.9 39.1 5.6 71 71 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.951 109.9 46.5 -68.1 -50.4 34.4 39.1 9.4 72 72 A I H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.923 115.5 47.3 -59.3 -42.0 37.2 36.6 9.4 73 73 A R H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.842 108.5 55.6 -67.3 -35.4 39.0 38.5 6.6 74 74 A Y H X S+ 0 0 52 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.948 108.1 47.4 -62.3 -49.0 38.5 41.8 8.3 75 75 A I H X S+ 0 0 1 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.894 116.0 44.4 -60.8 -39.7 40.2 40.6 11.5 76 76 A A H <>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.2 3,-0.5 0.880 111.0 55.3 -70.6 -37.6 43.1 39.2 9.5 77 77 A D H ><5S+ 0 0 83 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.885 101.6 57.2 -62.1 -39.7 43.1 42.4 7.4 78 78 A K H 3<5S+ 0 0 77 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.818 111.7 43.1 -60.1 -30.8 43.5 44.4 10.6 79 79 A H T 3<5S- 0 0 64 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.168 118.4-113.6-102.1 16.1 46.6 42.4 11.3 80 80 A N T < 5S+ 0 0 139 -3,-1.8 -3,-0.2 1,-0.1 3,-0.2 0.822 77.4 127.6 57.8 40.6 47.8 42.6 7.7 81 81 A M < + 0 0 36 -5,-2.7 69,-0.2 -8,-0.2 -4,-0.2 0.394 39.8 90.8-106.1 2.5 47.4 38.8 6.9 82 82 A L S S- 0 0 16 -6,-0.3 2,-0.3 -9,-0.1 10,-0.2 0.748 100.5 -80.1 -71.7 -24.4 45.3 38.9 3.8 83 83 A G - 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0 0 58 -3,-0.7 2,-0.8 -6,-0.5 -5,-0.1 -0.371 57.7-155.5 -62.8 128.8 35.7 26.9 24.1 199 199 A I + 0 0 15 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.907 15.5 177.1-106.3 103.3 32.4 25.8 22.7 200 200 A A + 0 0 44 -2,-0.8 -1,-0.1 1,-0.2 -190,-0.0 0.740 50.3 67.0 -80.0 -23.8 32.8 22.1 22.0 201 201 A W S S+ 0 0 81 1,-0.1 -1,-0.2 -192,-0.1 2,-0.1 -0.978 70.8 37.4-160.6 150.6 29.3 21.3 20.8 202 202 A P - 0 0 2 0, 0.0 -191,-2.7 0, 0.0 -190,-0.3 0.522 48.1-166.4 -82.5 167.6 27.1 21.7 18.8 203 203 A L S S+ 0 0 0 8,-1.5 -191,-1.7 -193,-0.2 2,-0.2 0.841 79.5 10.4 -80.8 -39.3 28.8 21.7 15.3 204 204 A Q S S- 0 0 5 7,-2.0 -193,-0.2 1,-0.3 7,-0.0 -0.513 116.8 -43.7-123.5-169.3 25.6 23.0 13.6 205 205 A G > - 0 0 6 -2,-0.2 3,-2.4 1,-0.1 -1,-0.3 -0.277 60.3-111.7 -58.8 150.6 22.4 24.4 14.9 206 206 A W T 3 S+ 0 0 25 1,-0.3 7,-2.4 6,-0.2 -1,-0.1 0.777 118.2 58.2 -55.2 -27.9 21.0 22.4 17.7 207 207 A Q T 3 S+ 0 0 132 5,-0.2 -1,-0.3 4,-0.1 5,-0.1 0.485 81.3 116.4 -83.0 -3.7 18.1 21.3 15.4 208 208 A A < - 0 0 11 -3,-2.4 4,-0.3 1,-0.1 -98,-0.1 -0.286 66.9-137.5 -65.8 150.6 20.5 19.8 12.8 209 209 A T S S+ 0 0 80 1,-0.2 2,-0.4 -100,-0.1 -1,-0.1 0.844 97.5 44.2 -73.8 -35.7 20.4 16.0 12.1 210 210 A F S S+ 0 0 21 1,-0.2 -1,-0.2 -104,-0.1 3,-0.1 -0.937 129.8 1.2-113.0 132.9 24.2 16.1 12.1 211 211 A G S S+ 0 0 6 -2,-0.4 -7,-2.0 1,-0.2 -8,-1.5 0.653 104.5 116.3 69.5 16.9 26.2 18.0 14.7 212 212 A G + 0 0 14 -4,-0.3 -6,-0.2 -10,-0.2 -1,-0.2 -0.256 32.4 66.5-103.1-167.6 23.1 19.1 16.6 213 213 A G 0 0 28 -7,-2.4 -5,-0.1 -2,-0.1 -9,-0.1 -0.165 360.0 360.0 84.1 177.9 21.6 18.4 20.0 214 214 A D 0 0 159 -12,-0.1 -2,-0.0 -8,-0.0 0, 0.0 -0.358 360.0 360.0 -89.5 360.0 23.1 19.6 23.4