==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-OCT-07 2RM6 . COMPND 2 MOLECULE: GLUTATHIONE PEROXIDASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR J.MELCHERS,K.FEHER,M.DIECHTIEROW,L.KRAUTH-SIEGEL,C.MUHLE- . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 9.6 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 1.2 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 . 1 0.6 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 . 24 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 10 A G 0 0 130 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-178.9 -8.7 21.1 2.8 2 11 A M + 0 0 147 1,-0.1 6,-0.0 2,-0.0 0, 0.0 -0.831 360.0 34.8-106.7 141.5 -7.1 18.9 0.1 3 12 A G - 0 0 19 -2,-0.4 3,-0.1 5,-0.1 -1,-0.1 0.727 38.7-174.9 88.7 110.3 -8.0 15.3 -0.7 4 13 A S S S- 0 0 92 1,-0.4 2,-0.3 134,-0.0 134,-0.1 0.725 81.1 -6.4 -98.3 -32.9 -11.4 13.8 -0.6 5 14 A S S > S- 0 0 22 135,-0.1 3,-1.5 130,-0.0 -1,-0.4 -0.885 82.1 -94.3-150.6 170.6 -10.2 10.3 -1.4 6 15 A I G > S+ 0 0 0 133,-3.8 3,-2.1 -2,-0.3 133,-0.1 0.765 115.3 78.3 -63.7 -19.6 -6.9 8.9 -2.4 7 16 A F G 3 S+ 0 0 35 131,-0.3 -1,-0.3 1,-0.3 15,-0.1 0.461 72.8 78.1 -73.5 0.9 -8.2 9.2 -5.9 8 17 A D G < S+ 0 0 87 -3,-1.5 2,-0.6 131,-0.2 -1,-0.3 0.557 89.0 71.6 -80.2 -8.7 -7.3 12.9 -5.8 9 18 A F S < S- 0 0 42 -3,-2.1 -1,-0.1 -4,-0.1 12,-0.1 -0.946 86.0-125.8-121.8 117.3 -3.8 11.7 -6.3 10 19 A E - 0 0 117 -2,-0.6 99,-0.3 11,-0.1 2,-0.3 -0.235 26.3-149.9 -48.9 138.5 -2.4 10.4 -9.5 11 20 A V E -A 19 0A 0 8,-1.0 8,-2.1 -4,-0.1 2,-0.4 -0.742 2.3-141.5-112.8 163.4 -0.8 7.0 -9.1 12 21 A L E -A 18 0A 37 6,-0.3 85,-1.3 -2,-0.3 86,-0.1 -0.977 11.7-131.9-134.9 121.9 2.1 5.6 -11.2 13 22 A D B > -B 96 0B 47 4,-3.2 3,-3.8 -2,-0.4 84,-0.8 0.016 56.5 -68.0 -64.0 177.4 2.5 2.0 -12.4 14 23 A A T 3 S+ 0 0 9 81,-0.8 -1,-0.1 82,-0.3 82,-0.1 0.490 138.7 44.2 -59.6 -4.4 5.8 0.3 -11.9 15 24 A D T 3 S- 0 0 109 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.164 121.9-100.2-119.3 14.8 7.5 2.6 -14.4 16 25 A H S < S+ 0 0 100 -3,-3.8 -2,-0.2 1,-0.3 80,-0.0 0.769 75.4 144.9 73.1 24.2 6.0 5.9 -13.2 17 26 A K - 0 0 100 -4,-0.3 -4,-3.2 1,-0.1 -1,-0.3 -0.854 69.3 -89.3 -85.5 127.8 3.5 5.8 -15.9 18 27 A P E -A 12 0A 91 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.185 49.2-146.0 -50.8 112.4 0.3 7.3 -14.5 19 28 A Y E -A 11 0A 23 -8,-2.1 2,-1.8 -6,-0.1 -8,-1.0 -0.550 17.8-114.1 -81.5 142.6 -1.6 4.4 -13.0 20 29 A N > + 0 0 86 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 -0.573 45.4 164.6 -77.7 82.4 -5.4 4.3 -13.1 21 30 A L G > + 0 0 4 -2,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.924 66.2 67.0 -63.7 -45.2 -6.0 4.4 -9.3 22 31 A V G > S+ 0 0 45 1,-0.3 3,-1.3 -3,-0.2 -1,-0.2 0.404 74.1 87.4 -66.1 1.7 -9.6 5.3 -9.6 23 32 A Q G < S+ 0 0 99 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.530 82.6 63.1 -74.4 -5.3 -10.4 1.8 -11.1 24 33 A H G < S+ 0 0 5 -3,-1.9 2,-0.8 2,-0.1 115,-0.3 0.014 73.5 124.3-104.3 24.1 -10.7 0.9 -7.4 25 34 A K S < S+ 0 0 122 -3,-1.3 113,-0.2 1,-0.2 112,-0.1 -0.783 73.1 27.5 -82.7 110.0 -13.6 3.3 -7.1 26 35 A G S S+ 0 0 39 111,-3.3 111,-0.2 -2,-0.8 -1,-0.2 -0.095 118.2 52.7 129.3 -36.5 -16.4 1.2 -5.8 27 36 A S S S- 0 0 18 110,-0.4 135,-0.1 32,-0.3 34,-0.1 -1.000 93.2-100.4-131.0 133.4 -14.6 -1.5 -3.9 28 37 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 33,-0.3 0.023 34.6-157.9 -42.6 152.3 -11.9 -0.8 -1.2 29 38 A L E -C 135 0C 0 106,-1.4 106,-2.5 31,-0.3 2,-0.7 -0.985 10.7-140.0-137.0 140.8 -8.3 -1.1 -2.2 30 39 A L E -Cd 134 62C 0 31,-3.8 33,-2.0 -2,-0.4 2,-0.6 -0.927 15.7-163.4-106.6 111.1 -5.4 -1.7 0.1 31 40 A I E -Cd 133 63C 0 102,-1.5 102,-0.8 -2,-0.7 2,-0.5 -0.861 9.0-162.5 -94.9 122.9 -2.4 0.3 -0.9 32 41 A Y E -Cd 132 64C 0 31,-3.7 33,-3.5 -2,-0.6 2,-1.2 -0.914 20.7-145.4-110.9 128.0 0.8 -1.0 0.6 33 42 A N E - d 0 65C 0 98,-1.9 2,-0.3 97,-0.7 95,-0.2 -0.755 39.5-168.0 -82.3 94.9 4.0 0.9 1.0 34 43 A V - 0 0 0 -2,-1.2 2,-1.1 31,-0.9 33,-0.4 -0.672 26.1-132.6-102.7 137.1 6.1 -2.2 0.5 35 44 A A - 0 0 2 -2,-0.3 95,-0.2 31,-0.2 94,-0.1 -0.775 20.9-150.3 -88.6 100.6 9.8 -2.6 1.0 36 45 A S + 0 0 7 -2,-1.1 -1,-0.2 31,-0.4 51,-0.1 0.853 42.3 138.6 -28.9 -81.8 11.0 -4.4 -2.1 37 46 A K - 0 0 7 49,-0.1 52,-0.4 1,-0.1 2,-0.3 0.024 57.5 -90.5 56.3-168.5 14.0 -6.4 -0.8 38 47 A C S S- 0 0 83 48,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.922 91.2 -16.3-145.6 116.5 14.7 -9.9 -1.8 39 48 A G S S+ 0 0 90 -2,-0.3 2,-0.7 1,-0.1 -2,-0.1 0.096 108.6 103.1 81.4 -26.0 13.4 -13.0 -0.1 40 49 A Y + 0 0 110 -4,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.828 37.9 141.1-100.1 115.8 12.5 -11.0 3.0 41 50 A T - 0 0 47 -2,-0.7 -3,-0.0 -3,-0.1 -5,-0.0 -0.628 44.2-131.9-127.3-169.6 8.9 -10.2 3.6 42 51 A K - 0 0 98 -2,-0.2 2,-2.3 107,-0.1 107,-0.2 -0.393 61.2 -76.2-148.9 63.9 6.7 -10.0 6.7 43 52 A G S >> S+ 0 0 33 1,-0.2 4,-2.2 104,-0.1 3,-0.5 -0.190 116.8 92.9 76.6 -47.3 3.5 -11.9 6.1 44 53 A G H 3> S+ 0 0 1 -2,-2.3 4,-3.4 1,-0.2 5,-0.2 0.680 75.7 63.2 -53.9 -24.0 2.1 -9.0 4.1 45 54 A Y H 3> S+ 0 0 73 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.978 110.3 34.9 -67.7 -55.5 3.3 -10.5 0.9 46 55 A E H <> S+ 0 0 89 -3,-0.5 4,-2.1 2,-0.2 5,-0.3 0.841 120.2 55.4 -66.3 -31.2 1.2 -13.7 1.0 47 56 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.984 112.7 38.1 -59.7 -60.1 -1.4 -11.4 2.6 48 57 A A H X S+ 0 0 0 -4,-3.4 4,-3.0 2,-0.2 5,-0.3 0.896 114.9 54.8 -61.3 -45.0 -1.5 -8.9 -0.2 49 58 A T H X S+ 0 0 39 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.945 116.7 35.9 -55.2 -52.3 -1.1 -11.5 -2.9 50 59 A T H X S+ 0 0 64 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.856 117.3 53.1 -72.8 -36.1 -4.1 -13.5 -1.8 51 60 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 5,-0.2 0.950 109.6 47.6 -65.9 -50.1 -6.1 -10.5 -0.8 52 61 A Y H X S+ 0 0 19 -4,-3.0 4,-2.7 1,-0.2 3,-0.4 0.951 117.0 41.2 -55.7 -53.5 -5.8 -8.7 -4.0 53 62 A N H < S+ 0 0 75 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.758 115.4 50.4 -73.1 -24.7 -6.7 -11.8 -6.1 54 63 A K H < S+ 0 0 92 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.755 125.4 27.3 -82.5 -22.4 -9.5 -12.9 -3.9 55 64 A Y H >X>S+ 0 0 31 -4,-1.7 5,-2.6 -3,-0.4 4,-2.1 0.529 96.0 81.2-123.7 -5.7 -11.0 -9.4 -3.9 56 65 A K T 3<5S+ 0 0 91 -4,-2.7 -3,-0.2 3,-0.3 -2,-0.1 0.821 83.7 75.2 -64.6 -25.7 -10.0 -7.8 -7.1 57 66 A S T 345S+ 0 0 99 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.869 105.3 32.3 -48.0 -41.8 -12.9 -9.9 -8.2 58 67 A Q T <45S- 0 0 98 -3,-1.1 -2,-0.2 -4,-0.1 -1,-0.2 0.858 136.5 -83.0 -82.7 -37.9 -15.1 -7.2 -6.5 59 68 A G T <5S+ 0 0 19 -4,-2.1 -3,-0.3 1,-0.2 -32,-0.3 0.211 83.3 139.1 149.7 -8.6 -12.7 -4.3 -7.2 60 69 A F < - 0 0 1 -5,-2.6 2,-0.4 -9,-0.1 -31,-0.3 -0.238 27.8-173.4 -63.5 144.9 -10.2 -4.6 -4.4 61 70 A T - 0 0 0 -33,-0.3 -31,-3.8 -37,-0.1 2,-0.6 -0.974 27.1-146.1-133.3 152.3 -6.6 -4.1 -5.1 62 71 A V E -d 30 0C 0 -2,-0.4 2,-0.7 -33,-0.2 -31,-0.2 -0.939 25.0-160.8-106.8 102.1 -3.4 -4.5 -3.3 63 72 A L E -d 31 0C 0 -33,-2.0 -31,-3.7 -2,-0.6 2,-0.7 -0.756 4.7-153.6 -84.3 118.7 -1.4 -1.7 -4.7 64 73 A A E -de 32 95C 0 30,-0.9 32,-3.3 -2,-0.7 34,-0.3 -0.833 13.0-175.1 -97.8 113.1 2.2 -2.4 -3.9 65 74 A F E -d 33 0C 1 -33,-3.5 2,-2.1 -2,-0.7 -31,-0.9 -0.854 17.4-150.8-106.5 96.7 4.4 0.7 -3.8 66 75 A P - 0 0 0 0, 0.0 -31,-0.2 0, 0.0 3,-0.2 -0.400 23.7-125.0 -80.4 75.1 7.9 -0.7 -3.3 67 76 A S - 0 0 0 -2,-2.1 2,-1.6 -33,-0.4 -31,-0.4 0.440 12.2-122.7 -18.2 133.0 9.6 2.1 -1.3 68 77 A N > - 0 0 33 31,-0.7 3,-2.7 1,-0.2 4,-0.3 -0.629 24.9-172.7 -91.1 84.7 12.8 3.5 -2.8 69 78 A Q T 3 S+ 0 0 0 -2,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.593 72.5 88.5 -52.3 -11.0 15.2 2.9 0.1 70 79 A F T 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.714 78.5 63.4 -63.6 -20.5 17.6 4.9 -2.0 71 80 A G S < S- 0 0 42 -3,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.935 101.4-134.9 -68.7 -47.3 16.2 7.9 -0.3 72 81 A G S S+ 0 0 28 -3,-0.4 7,-0.1 -4,-0.3 -3,-0.1 -0.122 89.4 74.0 119.8 -35.6 17.4 6.8 3.1 73 82 A Q + 0 0 27 5,-0.1 30,-0.3 29,-0.0 -4,-0.1 0.587 67.6 142.1 -85.0 -5.3 14.4 7.5 5.3 74 83 A E - 0 0 0 -6,-0.2 28,-0.1 -5,-0.1 26,-0.1 0.167 56.5-128.8 -59.5 150.7 12.5 4.5 3.9 75 84 A P S S+ 0 0 6 0, 0.0 54,-0.3 0, 0.0 -1,-0.1 0.787 105.6 51.6 -71.0 -31.8 10.2 2.4 6.1 76 85 A G S S- 0 0 16 52,-0.3 53,-0.2 -42,-0.1 2,-0.2 0.924 126.7 -81.4 -70.8 -46.1 11.7 -1.0 5.2 77 86 A N - 0 0 62 51,-0.1 -1,-0.1 1,-0.1 -5,-0.0 -0.555 37.4-116.8-177.6-105.6 15.3 0.1 5.8 78 87 A E S S+ 0 0 88 -2,-0.2 3,-0.2 -5,-0.1 -6,-0.1 -0.139 97.0 35.6 176.4 -72.0 17.7 2.2 3.7 79 88 A E S >> S+ 0 0 83 1,-0.2 4,-2.9 2,-0.1 3,-1.2 0.613 95.6 91.0 -82.8 -11.6 20.9 0.5 2.5 80 89 A E H 3> S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 3,-0.2 0.924 91.0 34.7 -56.4 -61.0 19.2 -2.9 2.1 81 90 A I H 34 S+ 0 0 11 1,-0.2 5,-0.4 2,-0.2 -1,-0.3 0.419 119.4 56.1 -77.4 3.7 18.1 -2.8 -1.5 82 91 A K H <4 S+ 0 0 84 -3,-1.2 -2,-0.2 3,-0.1 -1,-0.2 0.781 116.7 29.6-100.9 -39.2 21.2 -0.8 -2.4 83 92 A E H < S+ 0 0 130 -4,-2.9 -2,-0.2 -3,-0.2 2,-0.2 0.844 121.4 55.3 -87.2 -38.5 23.8 -3.3 -1.0 84 93 A F S < S- 0 0 114 -4,-2.6 2,-0.7 -5,-0.4 -47,-0.1 -0.516 97.5 -99.3 -91.3 161.4 21.8 -6.4 -1.6 85 94 A V + 0 0 122 -2,-0.2 2,-0.4 -47,-0.1 -3,-0.1 -0.727 55.1 160.8 -80.1 112.3 20.3 -7.5 -4.9 86 95 A C - 0 0 27 -2,-0.7 -48,-0.2 -5,-0.4 -49,-0.1 -0.961 29.9-147.4-140.8 121.9 16.6 -6.5 -4.8 87 96 A T - 0 0 99 -2,-0.4 2,-3.1 -50,-0.3 3,-0.1 -0.286 51.5 -83.5 -69.4 163.4 14.2 -6.1 -7.6 88 97 A K - 0 0 61 1,-0.1 2,-1.5 -52,-0.1 10,-0.1 -0.207 68.4-102.6 -66.2 50.7 11.5 -3.5 -7.3 89 98 A F - 0 0 14 -2,-3.1 -2,-0.2 -52,-0.4 -1,-0.1 -0.499 56.6-177.6 65.0 -89.1 9.5 -6.1 -5.3 90 99 A K + 0 0 121 -2,-1.5 2,-0.2 6,-0.2 -1,-0.1 0.556 12.1 144.4 65.4 140.5 7.0 -7.1 -8.0 91 100 A A - 0 0 20 2,-0.3 4,-0.2 -27,-0.1 -46,-0.0 -0.790 64.5 -48.4-170.7-151.3 4.2 -9.6 -7.5 92 101 A E S S+ 0 0 125 -2,-0.2 -30,-0.1 2,-0.1 -2,-0.0 0.067 107.6 78.9 -97.0 23.0 0.7 -10.4 -8.4 93 102 A F S S- 0 0 21 -32,-0.1 2,-1.3 -41,-0.0 -2,-0.3 -0.463 101.0 -83.7-111.6-176.6 -0.5 -6.9 -7.6 94 103 A P - 0 0 11 0, 0.0 -30,-0.9 0, 0.0 2,-0.5 -0.762 58.2-174.7 -81.5 78.3 -0.5 -3.5 -9.2 95 104 A I B -e 64 0C 12 -2,-1.3 -81,-0.8 -32,-0.2 -30,-0.2 -0.738 10.3-148.1 -84.3 127.8 3.0 -2.8 -8.0 96 105 A M B -B 13 0B 0 -32,-3.3 2,-0.6 -2,-0.5 -82,-0.3 -0.173 30.9 -82.8 -96.8-175.5 4.0 0.7 -8.8 97 106 A A S S- 0 0 6 -85,-1.3 -32,-0.1 -84,-0.8 -84,-0.1 0.016 75.0 -97.4 -85.0 32.9 7.3 2.4 -9.6 98 107 A K - 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