==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-05 2C0D . COMPND 2 MOLECULE: THIOREDOXIN PEROXIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR I.W.BOUCHER,J.A.BRANNIGAN,A.J.WILKINSON,A.M.BRZOZOWSKI, . 342 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 17.3 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 . 6 1.8 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 . 42 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 2 0 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 2 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 3 2 2 2 2 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 . 2 0 0 0 0 0 0 0 0 0 0 0 1 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 21 A L > 0 0 70 0, 0.0 3,-1.7 0, 0.0 132,-0.4 0.000 360.0 360.0 360.0 -25.3 16.6 7.6 1.8 2 22 A V T 3 + 0 0 6 1,-0.2 132,-0.2 130,-0.1 3,-0.1 -0.429 360.0 22.5 -64.1 131.5 13.9 6.9 4.5 3 23 A T T 3 S+ 0 0 66 130,-2.8 -1,-0.2 1,-0.4 2,-0.2 0.144 110.2 95.6 93.0 -10.8 10.7 5.2 2.9 4 24 A K S < S- 0 0 44 -3,-1.7 129,-2.8 129,-0.2 -1,-0.4 -0.656 89.2 -87.1-107.5 160.5 12.8 4.0 -0.0 5 25 A K B -A 132 0A 99 127,-0.2 127,-0.3 -2,-0.2 -1,-0.1 -0.415 52.1-106.6 -64.8 140.9 14.5 0.7 -0.6 6 26 A A - 0 0 18 125,-3.0 2,-0.5 1,-0.1 -1,-0.1 -0.400 34.5-102.1 -67.0 145.4 18.0 0.6 0.9 7 27 A Y - 0 0 80 103,-0.1 2,-0.2 100,-0.1 -1,-0.1 -0.615 42.0-135.2 -64.4 118.5 21.0 0.7 -1.5 8 28 A N - 0 0 72 -2,-0.5 2,-0.3 17,-0.1 -1,-0.0 -0.561 28.8-178.9 -79.3 141.9 22.1 -2.9 -1.7 9 29 A F - 0 0 7 -2,-0.2 16,-2.3 2,-0.0 2,-0.4 -0.978 25.1-154.0-138.2 158.7 25.8 -3.5 -1.5 10 30 A T E +B 24 0B 88 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -1.000 37.1 149.8-128.4 122.3 28.2 -6.4 -1.6 11 31 A A E -B 23 0B 12 12,-2.4 12,-2.9 -2,-0.4 2,-0.3 -0.965 48.1 -89.9-148.7 164.8 31.4 -5.8 0.3 12 32 A Q E -BC 22 101B 99 89,-0.5 89,-2.8 -2,-0.3 2,-0.3 -0.605 44.5-174.7 -76.7 143.7 34.2 -7.4 2.3 13 33 A G E -BC 21 100B 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.940 27.0-135.5-135.7 160.0 33.7 -7.7 6.1 14 34 A L E -BC 20 99B 4 85,-2.8 85,-2.4 -2,-0.3 6,-0.2 -0.972 34.8-153.1-113.3 114.1 35.6 -8.8 9.1 15 35 A N > - 0 0 20 4,-2.8 3,-2.2 -2,-0.6 82,-0.1 -0.119 31.9 -88.3 -86.3-175.2 33.4 -10.9 11.3 16 36 A K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 80,-0.2 81,-0.0 0.656 128.8 50.6 -67.9 -16.7 33.2 -11.7 15.0 17 37 A N T 3 S- 0 0 104 2,-0.2 -1,-0.3 79,-0.0 3,-0.1 0.228 120.2-110.8-100.3 13.7 35.6 -14.7 14.5 18 38 A N S < S+ 0 0 59 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.859 71.7 141.0 56.9 39.1 38.0 -12.4 12.6 19 39 A E - 0 0 105 0, 0.0 -4,-2.8 0, 0.0 2,-0.6 -0.882 56.6-120.8-103.9 143.6 37.3 -14.1 9.3 20 40 A I E +B 14 0B 110 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.769 47.0 169.6 -86.8 122.7 37.1 -12.1 6.1 21 41 A I E -B 13 0B 61 -8,-2.6 -8,-2.4 -2,-0.6 2,-0.5 -0.742 39.1 -98.0-131.3 169.0 33.7 -12.7 4.6 22 42 A N E -B 12 0B 116 -2,-0.2 2,-0.6 -10,-0.2 -10,-0.2 -0.847 31.0-159.0 -93.9 130.5 31.2 -11.5 2.0 23 43 A V E +B 11 0B 6 -12,-2.9 -12,-2.4 -2,-0.5 2,-0.6 -0.961 12.2 178.7-114.1 111.2 28.6 -9.1 3.3 24 44 A D E > -B 10 0B 52 -2,-0.6 3,-1.4 -14,-0.2 4,-0.3 -0.960 16.2-159.1-116.7 108.1 25.6 -8.9 1.0 25 45 A L G > S+ 0 0 9 -16,-2.3 3,-1.8 -2,-0.6 4,-0.3 0.867 90.4 60.8 -59.2 -37.7 22.9 -6.6 2.4 26 46 A S G > S+ 0 0 44 -17,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.763 87.5 75.9 -64.7 -19.3 20.2 -8.2 0.3 27 47 A S G < S+ 0 0 68 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.733 89.9 57.3 -62.7 -21.5 20.8 -11.5 2.1 28 48 A F G X> S+ 0 0 35 -3,-1.8 3,-2.6 -4,-0.3 4,-2.4 0.598 76.4 118.3 -85.5 -10.7 19.0 -10.2 5.2 29 49 A I T <4 S+ 0 0 89 -3,-1.5 101,-0.2 -4,-0.3 100,-0.1 -0.340 88.2 8.3 -61.2 133.5 15.8 -9.4 3.4 30 50 A G T 34 S+ 0 0 61 99,-3.7 -1,-0.3 2,-0.1 100,-0.1 0.432 130.2 64.8 75.1 0.5 13.0 -11.5 4.9 31 51 A Q T <4 S- 0 0 72 -3,-2.6 2,-0.3 1,-0.4 -2,-0.2 0.764 104.1 -8.1-118.3 -54.4 15.4 -12.6 7.6 32 52 A K < - 0 0 52 -4,-2.4 -1,-0.4 96,-0.1 34,-0.2 -0.965 58.6-109.5-146.7 156.6 16.6 -9.8 9.9 33 53 A Y E -d 66 0B 12 32,-2.4 34,-3.2 -2,-0.3 2,-0.4 -0.531 38.2-144.4 -73.1 157.0 16.5 -6.0 10.4 34 54 A C E -dE 67 127B 2 93,-2.5 93,-2.8 32,-0.3 2,-0.5 -0.970 12.2-158.2-126.5 146.8 19.9 -4.3 9.9 35 55 A C E -dE 68 126B 0 32,-2.9 34,-3.0 -2,-0.4 2,-0.7 -0.982 12.2-156.9-120.5 115.5 21.5 -1.4 11.6 36 56 A L E -dE 69 125B 0 89,-2.7 89,-1.9 -2,-0.5 2,-0.8 -0.843 7.2-168.9 -96.0 116.1 24.2 0.3 9.5 37 57 A L E -dE 70 124B 0 32,-3.3 34,-2.7 -2,-0.7 2,-0.3 -0.854 4.9-168.9-110.2 95.3 26.6 2.1 11.7 38 58 A F E +d 71 0B 0 85,-2.6 34,-0.2 -2,-0.8 32,-0.0 -0.610 14.6 166.3 -79.7 146.9 28.9 4.4 9.5 39 59 A Y - 0 0 1 32,-2.1 81,-0.5 -2,-0.3 34,-0.3 -0.997 35.1-113.3-156.6 155.2 31.9 6.0 11.2 40 60 A P - 0 0 1 0, 0.0 7,-0.5 0, 0.0 79,-0.1 -0.722 12.6-172.3 -82.9 138.8 35.3 7.8 10.6 41 61 A L + 0 0 33 -2,-0.3 5,-0.2 5,-0.1 31,-0.0 0.351 47.2 130.8-103.2 1.2 38.6 6.1 11.5 42 62 A N >> - 0 0 55 1,-0.1 4,-1.7 3,-0.1 3,-0.9 -0.260 68.3-124.2 -50.7 131.7 40.3 9.4 10.7 43 63 A Y T 34 S+ 0 0 210 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.856 106.7 56.7 -51.9 -42.2 42.6 10.3 13.6 44 64 A T T 34 S+ 0 0 86 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.858 123.3 21.9 -60.1 -35.7 41.0 13.7 14.2 45 65 A F T <4 S+ 0 0 45 -3,-0.9 -1,-0.2 290,-0.0 -2,-0.2 0.393 82.4 136.4-116.0 1.9 37.6 12.2 14.7 46 66 A V < - 0 0 35 -4,-1.7 -5,-0.1 -3,-0.2 289,-0.0 -0.257 28.6-172.8 -61.5 136.4 38.0 8.6 15.7 47 67 A a >> + 0 0 3 -7,-0.5 4,-0.9 1,-0.1 3,-0.6 -0.760 12.9 171.3-133.2 83.9 35.7 7.5 18.6 48 68 A P H 3> S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.850 73.0 68.5 -64.2 -32.4 36.5 4.0 19.8 49 69 A T H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 95.0 54.9 -62.1 -33.8 34.2 4.3 22.9 50 70 A E H <> S+ 0 0 4 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.936 109.8 46.2 -66.0 -41.4 31.0 4.4 20.7 51 71 A I H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.3 -2,-0.2 0.911 111.9 52.3 -62.1 -44.4 31.9 1.1 19.0 52 72 A I H X S+ 0 0 38 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 109.8 49.1 -56.5 -44.2 32.8 -0.4 22.4 53 73 A E H X S+ 0 0 81 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.904 109.6 50.1 -66.9 -39.2 29.4 0.6 23.7 54 74 A F H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.941 110.0 52.0 -63.0 -43.4 27.5 -0.8 20.8 55 75 A N H >< S+ 0 0 24 -4,-2.6 3,-1.8 1,-0.2 4,-0.2 0.877 101.9 59.4 -58.5 -37.8 29.4 -4.1 21.3 56 76 A K H 3< S+ 0 0 109 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.796 109.6 45.8 -62.6 -22.6 28.4 -4.2 25.0 57 77 A H T XX S+ 0 0 54 -3,-1.0 4,-1.5 -4,-0.9 3,-1.3 0.168 74.2 117.0-104.7 17.2 24.8 -4.2 23.8 58 78 A I H <> S+ 0 0 11 -3,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.854 71.1 59.2 -61.6 -33.7 25.2 -6.8 21.1 59 79 A K H 3> S+ 0 0 163 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.3 0.801 103.5 53.7 -61.9 -31.1 22.8 -9.2 23.0 60 80 A D H <> S+ 0 0 63 -3,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.882 108.9 47.3 -66.1 -43.1 20.1 -6.5 22.7 61 81 A F H ><>S+ 0 0 0 -4,-1.5 5,-2.3 -7,-0.2 3,-0.6 0.948 114.4 48.0 -61.1 -47.3 20.6 -6.3 18.9 62 82 A E H ><5S+ 0 0 102 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.920 108.9 53.0 -58.9 -44.5 20.5 -10.1 18.7 63 83 A N H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 110.4 48.2 -62.1 -27.1 17.3 -10.3 20.9 64 84 A K T <<5S- 0 0 38 -4,-1.2 -1,-0.3 -3,-0.6 -31,-0.2 0.357 115.6-115.5 -94.6 4.4 15.6 -7.8 18.5 65 85 A N T < 5 + 0 0 65 -3,-1.8 -32,-2.4 -4,-0.2 2,-0.5 0.896 66.5 145.7 59.7 43.8 16.7 -9.8 15.4 66 86 A V E < -d 33 0B 4 -5,-2.3 2,-0.6 -34,-0.2 -32,-0.3 -0.950 44.6-145.3-113.1 128.1 18.9 -6.9 14.1 67 87 A E E -d 34 0B 41 -34,-3.2 -32,-2.9 -2,-0.5 2,-0.5 -0.843 18.6-149.7 -87.9 119.4 22.2 -7.5 12.3 68 88 A L E -d 35 0B 3 -2,-0.6 30,-0.7 -34,-0.2 2,-0.5 -0.814 15.8-174.9 -90.5 129.2 24.6 -4.7 13.3 69 89 A L E -df 36 98B 1 -34,-3.0 -32,-3.3 -2,-0.5 2,-0.4 -0.975 13.8-153.7-128.2 118.3 27.1 -3.7 10.6 70 90 A G E -df 37 99B 0 28,-2.7 30,-3.9 -2,-0.5 2,-0.4 -0.755 19.1-168.0 -84.7 135.5 29.9 -1.2 11.2 71 91 A I E +df 38 100B 0 -34,-2.7 -32,-2.1 -2,-0.4 2,-0.3 -0.986 17.0 152.1-128.9 126.1 31.0 0.5 8.0 72 92 A S E - f 0 101B 0 28,-1.8 30,-3.3 -2,-0.4 33,-0.1 -0.965 51.7-111.9-140.7 169.8 34.0 2.7 7.3 73 93 A V S S+ 0 0 14 -34,-0.3 28,-0.1 -2,-0.3 32,-0.1 0.511 82.5 106.4 -75.8 -0.1 36.2 3.5 4.2 74 94 A D S S- 0 0 42 26,-0.2 -2,-0.2 1,-0.1 29,-0.2 -0.297 73.6 -95.0 -90.5 162.8 39.2 1.7 5.7 75 95 A S > - 0 0 42 1,-0.1 4,-1.8 26,-0.1 5,-0.2 -0.164 31.4-110.8 -70.3 163.5 40.8 -1.6 4.8 76 96 A V H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 120.8 58.4 -57.1 -35.8 40.2 -5.0 6.5 77 97 A Y H > S+ 0 0 178 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.929 103.3 51.5 -60.9 -47.4 43.7 -4.7 7.9 78 98 A S H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.9 47.9 -55.8 -44.1 42.8 -1.4 9.6 79 99 A H H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.934 112.7 47.4 -66.8 -44.4 39.7 -3.0 11.2 80 100 A L H X S+ 0 0 73 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.918 112.3 50.6 -61.2 -42.8 41.7 -6.0 12.4 81 101 A A H X S+ 0 0 32 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.901 109.8 50.5 -59.1 -39.6 44.4 -3.7 13.8 82 102 A W H < S+ 0 0 12 -4,-2.3 10,-2.0 -5,-0.2 11,-0.8 0.895 110.0 49.9 -67.9 -38.6 41.8 -1.6 15.6 83 103 A K H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.853 114.2 45.2 -65.6 -35.1 40.2 -4.8 17.2 84 104 A N H < S+ 0 0 129 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.650 90.4 102.5 -84.1 -16.5 43.7 -6.0 18.4 85 105 A M S < S- 0 0 67 -4,-1.2 8,-0.6 -3,-0.2 5,-0.1 -0.463 83.7-105.0 -71.2 137.0 44.8 -2.6 19.7 86 106 A P > > - 0 0 58 0, 0.0 5,-2.3 0, 0.0 3,-1.5 -0.307 25.0-121.7 -62.6 149.2 44.6 -2.2 23.5 87 107 A I G > 5S+ 0 0 92 1,-0.3 3,-1.9 3,-0.2 -2,-0.1 0.890 111.6 58.9 -57.5 -40.5 41.6 -0.1 24.7 88 108 A E G 3 5S+ 0 0 159 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.666 106.2 49.8 -69.4 -10.2 44.0 2.3 26.5 89 109 A K G < 5S- 0 0 104 -3,-1.5 -1,-0.3 0, 0.0 -2,-0.2 0.272 134.4 -84.4-107.8 7.6 45.7 3.1 23.2 90 110 A G T < 5S+ 0 0 27 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.516 82.3 141.3 102.3 13.2 42.5 3.7 21.3 91 111 A G < - 0 0 0 -5,-2.3 -1,-0.2 1,-0.1 -8,-0.2 -0.173 47.0-145.6 -79.2 172.6 41.4 0.2 20.3 92 112 A I - 0 0 6 -10,-2.0 -9,-0.2 1,-0.2 -1,-0.1 0.479 36.8-132.8-114.7 -8.4 37.9 -1.4 20.3 93 113 A G - 0 0 19 -11,-0.8 2,-2.0 -8,-0.6 -1,-0.2 -0.131 52.2 -40.2 77.2 179.0 38.7 -4.9 21.3 94 114 A N S S- 0 0 94 -10,-0.1 -1,-0.1 2,-0.1 -10,-0.1 -0.496 73.1-160.9 -83.7 78.3 37.4 -8.1 19.6 95 115 A V - 0 0 0 -2,-2.0 4,-0.1 1,-0.1 -2,-0.1 -0.170 18.4-129.7 -62.4 151.0 33.9 -6.9 18.9 96 116 A E S S+ 0 0 98 -41,-0.1 2,-0.3 2,-0.1 -80,-0.2 -0.164 79.4 69.2-100.1 35.1 31.1 -9.4 18.2 97 117 A F S S- 0 0 8 -82,-0.1 2,-0.2 -83,-0.1 -28,-0.1 -0.969 88.5 -85.3-144.3 164.7 29.7 -7.8 15.1 98 118 A T E - 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