==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-AUG-06 2I81 . COMPND 2 MOLECULE: 2-CYS PEROXIREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX SAI-1; . AUTHOR J.D.ARTZ,W.QIU,A.DONG,J.LEW,H.REN,Y.ZHAO,I.KOZIERADSKI, . 909 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 17.5 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 . 15 1.7 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 . 63 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 2 5 5 0 5 2 2 3 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 5 0 5 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 . 8 8 2 1 11 5 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 . 5 0 0 0 0 0 1 0 0 0 0 0 0 0 2 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 2 A P 0 0 168 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.2 -44.9 28.9 -34.2 2 3 A T - 0 0 82 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.698 360.0-150.7-103.5 150.7 -43.4 25.4 -33.8 3 4 A Y > + 0 0 22 -2,-0.3 3,-2.1 3,-0.1 132,-0.6 0.413 62.5 117.1 -93.4 -1.2 -39.8 24.2 -34.0 4 5 A V B 3 S+a 135 0A 57 1,-0.3 132,-0.2 130,-0.1 -2,-0.1 -0.567 87.7 14.9 -70.8 126.4 -40.9 20.7 -35.2 5 6 A G T 3 S+ 0 0 53 130,-3.2 -1,-0.3 1,-0.4 2,-0.2 0.523 124.9 83.1 81.0 8.2 -39.4 20.3 -38.7 6 7 A K S < S- 0 0 117 -3,-2.1 129,-2.6 129,-0.3 -1,-0.4 -0.744 94.2 -54.7-133.2 179.4 -37.2 23.2 -37.8 7 8 A E B -H 134 0B 157 127,-0.2 127,-0.2 -2,-0.2 126,-0.1 -0.356 54.2-119.9 -63.8 128.7 -33.9 24.1 -36.0 8 9 A A - 0 0 3 125,-2.6 -1,-0.1 -2,-0.1 2,-0.1 -0.498 35.2-104.8 -66.2 132.2 -33.7 22.9 -32.4 9 10 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 -0.387 41.5-107.2 -61.4 134.7 -33.2 25.8 -29.9 10 11 A F - 0 0 106 -2,-0.1 2,-0.3 -3,-0.1 102,-0.1 -0.286 40.8-178.5 -63.3 143.4 -29.7 26.0 -28.6 11 12 A F - 0 0 5 2,-0.0 16,-1.9 101,-0.0 2,-0.4 -0.993 17.9-172.4-142.5 152.0 -28.9 25.0 -25.0 12 13 A K E +B 26 0A 124 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.966 22.7 169.1-140.6 122.2 -25.9 24.9 -22.8 13 14 A A E -B 25 0A 6 12,-2.7 12,-2.7 -2,-0.4 2,-0.2 -0.986 38.8-111.8-140.5 146.5 -26.2 23.2 -19.4 14 15 A E E -BC 24 103A 79 89,-0.5 89,-2.5 -2,-0.3 2,-0.3 -0.503 48.1-171.6 -64.8 144.1 -24.2 22.0 -16.4 15 16 A A E -BC 23 102A 0 8,-1.5 8,-2.4 87,-0.2 2,-0.6 -0.954 32.4-133.1-144.1 157.1 -24.4 18.2 -16.2 16 17 A V E -BC 22 101A 0 85,-2.1 85,-2.1 -2,-0.3 6,-0.2 -0.974 35.0-147.5-108.8 117.1 -23.6 15.1 -14.2 17 18 A F > - 0 0 56 4,-2.5 3,-2.1 -2,-0.6 82,-0.1 -0.173 31.1 -91.8 -79.2 175.3 -22.0 12.5 -16.5 18 19 A G T 3 S+ 0 0 20 80,-0.4 81,-0.1 1,-0.3 -1,-0.1 0.805 127.4 53.7 -56.3 -34.1 -22.3 8.7 -16.2 19 20 A D T 3 S- 0 0 122 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.371 119.2-111.3 -83.5 4.4 -19.2 8.5 -14.0 20 21 A N S < S+ 0 0 34 -3,-2.1 2,-0.1 1,-0.3 -2,-0.1 0.457 74.0 134.4 78.3 4.6 -20.8 11.1 -11.6 21 22 A S - 0 0 50 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.488 56.7-112.3 -80.0 155.2 -18.3 13.9 -12.5 22 23 A F E +B 16 0A 79 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.2 -0.640 51.4 129.5 -89.7 146.2 -19.5 17.4 -13.2 23 24 A G E -B 15 0A 25 -8,-2.4 -8,-1.5 -2,-0.3 2,-0.3 -0.735 46.8 -89.9-160.8-149.1 -19.3 19.1 -16.6 24 25 A E E -B 14 0A 110 -10,-0.3 2,-0.4 -2,-0.2 -10,-0.2 -0.992 24.0-167.2-150.6 137.8 -21.1 21.0 -19.3 25 26 A V E -B 13 0A 2 -12,-2.7 -12,-2.7 -2,-0.3 2,-0.3 -0.997 6.1-177.6-131.4 134.2 -23.1 19.9 -22.4 26 27 A N E > -B 12 0A 33 -2,-0.4 3,-0.8 -14,-0.2 4,-0.4 -0.974 34.6-123.6-130.7 151.4 -24.2 22.0 -25.3 27 28 A L G >> S+ 0 0 14 -16,-1.9 3,-1.8 -2,-0.3 4,-0.9 0.856 106.1 64.6 -55.9 -39.9 -26.3 21.2 -28.4 28 29 A T G >4 S+ 0 0 78 -17,-0.3 3,-0.7 1,-0.3 -1,-0.2 0.847 89.4 64.8 -55.7 -40.6 -23.5 22.4 -30.8 29 30 A Q G <4 S+ 0 0 84 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.693 106.9 44.9 -60.1 -17.3 -21.0 19.7 -29.8 30 31 A F G X> S+ 0 0 13 -3,-1.8 3,-2.7 -4,-0.4 4,-2.2 0.693 81.2 114.5 -98.1 -24.3 -23.4 17.1 -31.2 31 32 A I T << S+ 0 0 87 -4,-0.9 101,-0.2 -3,-0.7 100,-0.1 -0.265 92.0 6.4 -54.6 124.7 -24.3 18.7 -34.5 32 33 A G T 34 S+ 0 0 58 99,-2.7 -1,-0.3 2,-0.1 99,-0.1 0.371 126.7 66.8 84.1 -3.9 -23.0 16.6 -37.4 33 34 A K T <4 S- 0 0 152 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.767 105.8 -13.3-114.1 -46.3 -21.8 13.8 -35.0 34 35 A K < - 0 0 41 -4,-2.2 -1,-0.4 96,-0.1 34,-0.2 -0.996 63.3 -94.1-159.4 161.6 -25.0 12.2 -33.5 35 36 A Y E -d 68 0A 21 32,-2.0 34,-3.9 -2,-0.3 2,-0.5 -0.410 36.9-141.1 -72.3 149.7 -28.7 12.4 -32.9 36 37 A V E -dE 69 129A 2 93,-2.8 93,-3.2 32,-0.2 2,-0.8 -0.970 13.6-167.6-120.8 124.3 -30.0 13.9 -29.6 37 38 A L E -dE 70 128A 0 32,-3.1 34,-2.6 -2,-0.5 2,-0.6 -0.878 14.8-171.5-105.0 95.6 -32.9 12.6 -27.5 38 39 A L E -dE 71 127A 0 89,-2.4 89,-2.2 -2,-0.8 2,-0.5 -0.799 5.5-173.4 -85.9 118.3 -33.5 15.4 -25.0 39 40 A Y E -dE 72 126A 0 32,-3.0 34,-2.3 -2,-0.6 2,-0.3 -0.969 7.9-155.8-118.9 130.7 -36.0 14.2 -22.4 40 41 A F E +dE 73 125A 0 85,-2.2 85,-0.7 -2,-0.5 34,-0.2 -0.760 12.6 176.7-100.0 145.9 -37.5 16.4 -19.8 41 42 A Y - 0 0 0 32,-2.0 81,-0.4 -2,-0.3 34,-0.3 -0.984 31.0-124.2-141.2 149.6 -39.0 15.3 -16.4 42 43 A P S S- 0 0 5 0, 0.0 33,-0.7 0, 0.0 2,-0.3 0.914 73.6 -0.4 -59.3 -53.2 -40.4 17.6 -13.7 43 44 A L > - 0 0 17 31,-0.1 3,-0.7 32,-0.1 6,-0.1 -0.995 54.3-120.2-153.3 136.1 -38.5 16.7 -10.5 44 45 A D T 3 S+ 0 0 0 -2,-0.3 228,-0.1 1,-0.2 229,-0.1 -0.431 100.1 27.7 -63.7 151.4 -35.9 14.7 -8.8 45 46 A F T 3 S+ 0 0 31 47,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.755 100.4 112.2 60.8 30.4 -37.0 12.6 -5.9 46 47 A T S < S- 0 0 20 -3,-0.7 -1,-0.2 46,-0.1 -2,-0.1 -0.064 70.3 -96.6-109.7-142.9 -40.5 12.2 -7.3 47 48 A F S > S+ 0 0 146 2,-0.1 4,-0.7 -2,-0.1 -2,-0.1 0.910 101.2 26.3-116.0 -66.9 -42.6 9.4 -8.8 48 49 A V H > S+ 0 0 30 95,-0.2 4,-1.6 1,-0.2 3,-0.3 0.864 111.1 72.3 -70.2 -36.7 -42.9 8.7 -12.5 49 50 A C H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.863 94.6 46.0 -49.8 -54.5 -39.5 10.3 -13.2 50 51 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.886 110.5 54.5 -62.2 -37.4 -37.2 7.6 -11.7 51 52 A S H X S+ 0 0 71 -4,-0.7 4,-1.6 -3,-0.3 -2,-0.2 0.834 112.3 44.6 -62.2 -34.4 -39.1 4.8 -13.4 52 53 A E H X S+ 0 0 11 -4,-1.6 4,-2.4 -3,-0.4 5,-0.2 0.917 112.7 49.5 -74.3 -46.7 -38.5 6.6 -16.8 53 54 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.896 115.0 44.8 -59.9 -43.1 -34.9 7.4 -16.2 54 55 A I H X S+ 0 0 40 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.893 112.1 52.1 -68.9 -41.2 -34.1 3.8 -15.2 55 56 A A H X S+ 0 0 41 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.872 112.2 45.7 -62.2 -39.3 -36.2 2.4 -18.1 56 57 A L H < S+ 0 0 4 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.840 111.0 52.5 -72.8 -34.9 -34.2 4.6 -20.6 57 58 A D H >< S+ 0 0 29 -4,-1.7 3,-1.3 1,-0.2 4,-0.2 0.836 104.5 55.9 -70.7 -34.6 -30.9 3.7 -19.0 58 59 A K H 3< S+ 0 0 170 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.820 110.0 46.6 -62.3 -32.6 -31.6 -0.0 -19.3 59 60 A A T >X S+ 0 0 24 -4,-0.9 4,-1.2 1,-0.2 3,-0.9 0.181 78.4 116.6 -95.2 16.2 -32.2 0.5 -23.1 60 61 A L H <> S+ 0 0 11 -3,-1.3 4,-1.9 1,-0.3 3,-0.4 0.836 71.4 54.7 -54.6 -40.2 -29.0 2.6 -23.4 61 62 A D H 3> S+ 0 0 118 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.817 102.0 57.4 -67.1 -31.8 -27.3 0.1 -25.8 62 63 A A H <> S+ 0 0 24 -3,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.819 109.5 46.9 -64.2 -31.7 -30.3 0.3 -28.1 63 64 A F H <>S+ 0 0 0 -4,-1.2 5,-2.6 -3,-0.4 -2,-0.2 0.830 108.3 53.6 -77.2 -36.2 -29.6 4.0 -28.3 64 65 A H H ><5S+ 0 0 94 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.884 105.4 55.2 -64.2 -40.2 -25.9 3.6 -28.9 65 66 A E H 3<5S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.8 47.7 -56.7 -37.9 -26.7 1.3 -31.8 66 67 A R T 3<5S- 0 0 45 -4,-0.8 -1,-0.3 -5,-0.1 -31,-0.2 0.286 114.3-117.6 -91.5 10.2 -28.8 4.1 -33.3 67 68 A N T < 5 + 0 0 63 -3,-1.4 -32,-2.0 1,-0.2 2,-0.4 0.870 65.5 144.5 53.3 42.5 -26.0 6.7 -32.8 68 69 A V E < -d 35 0A 1 -5,-2.6 2,-0.5 -34,-0.2 -32,-0.2 -0.930 46.5-138.8-113.7 135.8 -28.2 8.7 -30.5 69 70 A E E -d 36 0A 42 -34,-3.9 -32,-3.1 -2,-0.4 2,-0.6 -0.807 18.1-144.2 -89.4 127.0 -27.1 10.7 -27.4 70 71 A L E +d 37 0A 3 -2,-0.5 30,-0.7 -34,-0.2 2,-0.5 -0.830 21.9 178.5 -97.8 118.1 -29.5 10.3 -24.5 71 72 A L E -df 38 100A 0 -34,-2.6 -32,-3.0 -2,-0.6 2,-0.3 -0.964 13.2-159.2-128.1 116.2 -29.9 13.5 -22.3 72 73 A G E -df 39 101A 0 28,-2.1 30,-3.9 -2,-0.5 2,-0.4 -0.689 14.5-168.4 -88.3 145.4 -32.2 13.8 -19.3 73 74 A C E +df 40 102A 0 -34,-2.3 -32,-2.0 -2,-0.3 2,-0.3 -0.986 15.4 154.7-143.0 128.8 -33.2 17.3 -18.2 74 75 A S E - f 0 103A 0 28,-1.3 30,-3.2 -2,-0.4 -31,-0.1 -0.929 51.4-110.1-139.8 169.3 -34.9 18.8 -15.2 75 76 A V S S+ 0 0 5 -33,-0.7 -32,-0.1 -34,-0.3 32,-0.1 0.690 85.4 107.5 -70.1 -20.2 -35.1 22.1 -13.3 76 77 A D S S- 0 0 5 -34,-0.2 28,-0.3 1,-0.1 -2,-0.3 -0.138 77.1-103.8 -59.0 153.7 -33.1 20.5 -10.4 77 78 A S > - 0 0 2 26,-0.1 4,-1.5 27,-0.1 3,-0.3 -0.290 27.7-110.1 -72.6 163.2 -29.5 21.4 -9.8 78 79 A K H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.766 120.2 57.7 -65.0 -27.5 -26.6 19.1 -10.7 79 80 A Y H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.837 104.1 51.4 -71.1 -34.5 -26.0 18.5 -6.9 80 81 A T H > S+ 0 0 0 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.848 109.2 51.9 -68.6 -35.5 -29.6 17.3 -6.6 81 82 A H H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.941 108.7 48.5 -63.1 -50.5 -28.9 14.9 -9.5 82 83 A L H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.875 111.3 50.8 -59.4 -40.7 -25.8 13.4 -8.0 83 84 A A H < S+ 0 0 14 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.832 108.5 51.9 -65.0 -35.4 -27.6 12.9 -4.7 84 85 A W H < S+ 0 0 0 -4,-1.5 10,-1.8 1,-0.2 11,-0.9 0.809 108.9 51.0 -71.6 -31.3 -30.4 11.1 -6.5 85 86 A K H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.775 107.8 52.2 -73.9 -28.7 -27.9 8.9 -8.2 86 87 A K S < S+ 0 0 118 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.438 92.3 93.5 -87.5 0.4 -26.3 8.1 -4.8 87 88 A T S S- 0 0 26 -3,-0.4 8,-1.4 -4,-0.2 7,-0.1 -0.846 82.3-122.2 -93.3 122.2 -29.8 7.1 -3.5 88 89 A P > > - 0 0 68 0, 0.0 5,-2.0 0, 0.0 3,-1.6 -0.265 19.8-116.0 -60.1 150.8 -30.6 3.4 -3.8 89 90 A L G > 5S+ 0 0 105 1,-0.3 3,-1.9 3,-0.2 -2,-0.0 0.836 113.8 61.0 -58.1 -38.8 -33.6 2.3 -5.8 90 91 A A G 3 5S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.615 105.4 50.0 -66.4 -13.1 -35.4 0.8 -2.8 91 92 A K G < 5S- 0 0 152 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.108 132.6 -88.6-111.3 18.6 -35.3 4.3 -1.2 92 93 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 1,-0.2 -47,-0.2 0.632 86.0 134.7 86.4 16.7 -36.8 6.1 -4.3 93 94 A G < - 0 0 3 -5,-2.0 -1,-0.2 1,-0.1 -8,-0.2 -0.400 59.6-134.2 -94.6 171.0 -33.4 6.7 -6.0 94 95 A I - 0 0 4 -10,-1.8 -9,-0.2 1,-0.2 -5,-0.1 0.558 41.0-149.1 -99.1 -11.9 -32.3 6.3 -9.6 95 96 A G - 0 0 14 -8,-1.4 2,-1.9 -11,-0.9 -1,-0.2 -0.180 51.9 -27.2 69.6-166.5 -29.0 4.6 -8.8 96 97 A N S S- 0 0 107 -10,-0.1 -1,-0.2 2,-0.0 -11,-0.1 -0.437 73.7-174.0 -86.8 68.3 -25.8 4.8 -10.8 97 98 A I - 0 0 4 -2,-1.9 -43,-0.1 1,-0.1 -2,-0.1 -0.232 21.7-139.7 -62.5 150.4 -27.3 5.5 -14.3 98 99 A K S S+ 0 0 146 -79,-0.1 -80,-0.4 2,-0.1 2,-0.2 0.681 71.3 78.6 -89.5 -21.9 -25.0 5.6 -17.3 99 100 A H S S- 0 0 6 -82,-0.1 2,-0.1 -81,-0.1 -28,-0.1 -0.489 86.1 -89.8 -94.7 164.6 -26.3 8.6 -19.3 100 101 A T E - 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