==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-AUG-11 3TKP . COMPND 2 MOLECULE: PEROXIREDOXIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.WANG,L.WANG,X.WANG,F.SUN,C.-C.WANG . 982 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 62 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 9 3 2 5 0 1 4 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 0 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 . 10 9 1 4 3 8 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 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 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 38 A H 0 0 108 0, 0.0 2,-0.1 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 102.3 -14.3 -18.2 -38.2 2 39 A L - 0 0 147 1,-0.1 2,-0.2 2,-0.0 113,-0.1 -0.401 360.0 -88.3 -91.3 158.6 -15.3 -21.9 -38.5 3 40 A S - 0 0 52 1,-0.1 111,-0.2 111,-0.1 110,-0.2 -0.396 28.0-173.1 -65.2 131.4 -18.6 -23.7 -38.6 4 41 A K + 0 0 109 109,-2.4 2,-0.8 108,-0.2 110,-0.2 0.320 49.9 114.4-101.9 3.1 -20.1 -24.7 -35.2 5 42 A A + 0 0 14 108,-0.4 2,-0.4 6,-0.1 6,-0.1 -0.673 39.0 166.3 -83.5 111.9 -23.1 -26.6 -36.7 6 43 A K > - 0 0 126 -2,-0.8 3,-2.0 4,-0.3 131,-0.4 -0.982 37.8-117.7-131.0 128.4 -22.7 -30.3 -35.9 7 44 A I T 3 S+ 0 0 85 -2,-0.4 131,-0.2 1,-0.3 129,-0.0 -0.403 101.6 18.6 -63.7 132.3 -25.3 -33.0 -36.2 8 45 A S T 3 S+ 0 0 83 129,-3.3 -1,-0.3 1,-0.4 130,-0.1 0.437 110.1 92.4 84.1 5.2 -26.1 -34.6 -32.8 9 46 A K S < S- 0 0 113 -3,-2.0 128,-2.4 128,-0.2 -1,-0.4 -0.815 94.5 -74.7-114.8 163.7 -24.7 -31.6 -30.9 10 47 A P B -A 136 0A 92 0, 0.0 -4,-0.3 0, 0.0 126,-0.3 -0.349 56.0-107.8 -56.4 135.3 -26.6 -28.5 -29.7 11 48 A A - 0 0 8 124,-2.7 -6,-0.1 1,-0.1 3,-0.1 -0.412 47.2 -89.2 -61.0 137.2 -27.4 -26.2 -32.6 12 49 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.281 49.3-110.0 -53.5 126.2 -25.2 -23.0 -32.5 13 50 A Y - 0 0 106 -3,-0.1 2,-0.3 16,-0.0 100,-0.1 -0.239 43.0-179.7 -56.0 141.5 -26.9 -20.4 -30.4 14 51 A W + 0 0 4 -3,-0.1 15,-2.7 2,-0.0 16,-0.3 -0.987 12.4 171.0-142.9 154.4 -28.2 -17.4 -32.3 15 52 A E E +B 28 0B 114 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.958 18.7 119.3-156.1 149.5 -30.1 -14.1 -31.6 16 53 A G E -B 27 0B 14 11,-1.8 11,-2.7 -2,-0.3 2,-0.3 -0.971 59.0 -52.4 174.3-175.3 -30.9 -11.0 -33.5 17 54 A T E +B 26 0B 29 87,-0.3 87,-2.4 -2,-0.3 2,-0.3 -0.607 51.1 178.3 -84.2 134.0 -33.6 -8.8 -34.8 18 55 A A E -BC 25 103B 0 7,-2.9 7,-2.6 -2,-0.3 2,-0.7 -0.901 32.9-116.3-128.6 160.3 -36.4 -10.3 -36.9 19 56 A V E +BC 24 102B 3 83,-1.9 83,-1.8 -2,-0.3 2,-0.5 -0.907 36.5 177.9 -95.6 117.6 -39.5 -9.1 -38.6 20 57 A I E > -B 23 0B 48 3,-3.0 3,-2.1 -2,-0.7 79,-0.1 -0.986 69.1 -23.3-124.0 119.6 -42.5 -10.7 -36.9 21 58 A D T 3 S- 0 0 127 -2,-0.5 -1,-0.1 77,-0.5 3,-0.1 0.904 129.0 -46.9 41.3 53.6 -46.0 -9.7 -38.1 22 59 A G T 3 S+ 0 0 40 76,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.353 120.6 97.5 82.4 -4.8 -44.7 -6.4 -39.5 23 60 A E E < S-B 20 0B 121 -3,-2.1 -3,-3.0 60,-0.0 2,-0.7 -0.821 76.7-109.9-120.3 158.2 -42.7 -5.4 -36.4 24 61 A F E +B 19 0B 60 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.752 44.8 169.5 -85.2 115.5 -39.1 -5.6 -35.3 25 62 A K E -B 18 0B 104 -7,-2.6 -7,-2.9 -2,-0.7 2,-0.3 -0.936 37.1-116.0-124.2 148.3 -38.7 -8.2 -32.5 26 63 A E E -B 17 0B 135 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.687 36.6-165.1 -80.6 137.9 -35.6 -9.7 -30.8 27 64 A L E -B 16 0B 10 -11,-2.7 -11,-1.8 -2,-0.3 2,-0.4 -0.992 9.0-168.3-134.2 130.2 -35.5 -13.4 -31.5 28 65 A K E > -B 15 0B 96 -2,-0.4 3,-2.0 -13,-0.2 -13,-0.2 -0.917 30.1-130.3-118.7 143.7 -33.4 -16.1 -29.8 29 66 A L G > S+ 0 0 17 -15,-2.7 3,-1.8 -2,-0.4 -1,-0.1 0.897 109.9 63.6 -53.2 -38.1 -32.8 -19.8 -30.8 30 67 A T G > S+ 0 0 75 -16,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.558 82.2 77.2 -68.3 -10.6 -33.8 -20.7 -27.3 31 68 A D G < S+ 0 0 94 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.523 93.0 54.4 -71.6 -6.8 -37.3 -19.3 -27.8 32 69 A Y G X S+ 0 0 26 -3,-1.8 3,-2.5 -4,-0.2 -1,-0.2 0.373 72.7 128.5-111.3 1.2 -38.0 -22.5 -29.7 33 70 A R T < S+ 0 0 145 -3,-0.9 101,-0.2 1,-0.3 100,-0.1 -0.364 72.1 36.7 -56.5 138.0 -37.0 -25.0 -27.0 34 71 A G T 3 S+ 0 0 45 99,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.058 113.5 73.2 100.8 -20.4 -39.8 -27.5 -26.6 35 72 A K S < S- 0 0 81 -3,-2.5 -1,-0.3 98,-0.2 100,-0.3 -0.872 84.8-111.6-121.0 154.3 -40.5 -27.3 -30.3 36 73 A Y E -d 69 0B 3 32,-2.3 34,-2.7 -2,-0.3 2,-0.4 -0.542 37.3-154.9 -69.6 148.0 -39.0 -28.6 -33.5 37 74 A L E -dE 70 131B 2 94,-3.2 94,-2.8 32,-0.2 2,-0.8 -0.984 18.9-158.0-134.8 126.0 -37.5 -25.8 -35.6 38 75 A V E -dE 71 130B 0 32,-3.8 34,-2.7 -2,-0.4 2,-0.6 -0.919 24.6-177.2 -96.1 109.6 -36.9 -25.6 -39.3 39 76 A F E +dE 72 129B 0 90,-2.6 90,-2.5 -2,-0.8 2,-0.4 -0.948 6.4 174.4-114.5 115.1 -34.3 -22.8 -39.4 40 77 A F E -dE 73 128B 0 32,-2.9 34,-2.1 -2,-0.6 2,-0.3 -0.972 23.3-147.5-135.1 144.0 -33.1 -21.8 -42.9 41 78 A F E -d 74 0B 0 86,-3.5 86,-0.3 -2,-0.4 34,-0.2 -0.773 12.2-168.9 -99.8 144.6 -30.9 -19.3 -44.6 42 79 A Y - 0 0 0 32,-2.3 82,-0.3 -2,-0.3 34,-0.3 -0.978 26.1-121.0-130.1 147.5 -31.6 -17.8 -48.0 43 80 A P S S- 0 0 5 0, 0.0 33,-0.7 0, 0.0 81,-0.5 0.926 75.6 -4.2 -51.2 -67.4 -29.1 -15.6 -50.0 44 81 A L > - 0 0 56 31,-0.1 3,-0.9 79,-0.1 6,-0.2 -0.977 56.1-120.0-149.2 130.9 -30.8 -12.2 -50.7 45 82 A D T 3 S+ 0 0 10 -2,-0.4 3,-0.1 1,-0.2 37,-0.1 -0.255 101.1 27.2 -54.0 150.2 -34.0 -10.2 -50.3 46 83 A F T 3 S+ 0 0 98 47,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.801 101.2 110.2 57.9 34.8 -35.4 -9.0 -53.7 47 84 A T S < S- 0 0 33 -3,-0.9 -1,-0.2 46,-0.1 -2,-0.1 -0.211 70.4 -97.1-116.4-143.3 -33.9 -11.9 -55.6 48 85 A F S > S+ 0 0 171 -2,-0.1 4,-0.8 2,-0.1 -1,-0.1 0.922 100.5 24.7-112.9 -73.2 -35.3 -15.0 -57.4 49 86 A V H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.863 113.0 71.8 -64.6 -33.6 -35.4 -18.5 -55.9 50 87 A C H > S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.875 95.0 45.7 -55.1 -51.5 -35.4 -16.9 -52.4 51 88 A P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.851 110.8 55.6 -64.1 -29.6 -39.0 -15.5 -52.4 52 89 A T H X S+ 0 0 85 -4,-0.8 4,-2.7 -3,-0.4 -2,-0.2 0.898 109.9 46.0 -68.2 -38.4 -40.3 -18.7 -53.8 53 90 A E H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.936 112.7 48.4 -67.3 -47.8 -38.8 -20.7 -50.9 54 91 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.952 117.5 42.4 -57.6 -48.8 -40.0 -18.3 -48.2 55 92 A I H X S+ 0 0 29 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.908 108.5 58.6 -63.6 -45.1 -43.5 -18.3 -49.7 56 93 A A H X S+ 0 0 40 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.935 115.0 37.4 -52.8 -46.6 -43.5 -22.1 -50.2 57 94 A F H >< S+ 0 0 2 -4,-2.4 3,-0.8 2,-0.2 4,-0.3 0.944 115.3 53.4 -70.3 -47.2 -42.9 -22.6 -46.5 58 95 A G H >< S+ 0 0 6 -4,-2.9 3,-1.7 1,-0.3 4,-0.2 0.922 107.7 49.8 -54.7 -49.1 -45.1 -19.7 -45.3 59 96 A D H 3< S+ 0 0 100 -4,-3.2 -1,-0.3 1,-0.3 3,-0.2 0.754 116.7 42.9 -64.6 -21.4 -48.1 -20.9 -47.2 60 97 A R T X< S+ 0 0 68 -3,-0.8 3,-1.2 -4,-0.7 4,-0.5 0.252 78.3 116.9-108.3 16.0 -47.6 -24.4 -45.8 61 98 A L T X> + 0 0 0 -3,-1.7 4,-2.1 1,-0.3 3,-1.7 0.798 67.0 62.2 -54.6 -38.3 -46.9 -23.3 -42.3 62 99 A E H 3> S+ 0 0 98 1,-0.3 4,-2.5 -4,-0.2 -1,-0.3 0.888 95.3 61.9 -56.8 -37.5 -49.9 -25.0 -40.7 63 100 A E H <4 S+ 0 0 86 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.720 110.5 41.4 -60.9 -20.3 -48.6 -28.3 -41.8 64 101 A F H X4>S+ 0 0 0 -3,-1.7 5,-1.7 -4,-0.5 3,-0.9 0.800 112.5 50.3 -95.6 -36.9 -45.6 -27.6 -39.6 65 102 A R H ><5S+ 0 0 92 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.834 101.1 62.5 -74.0 -29.8 -47.3 -26.1 -36.6 66 103 A S T 3<5S+ 0 0 97 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.575 107.1 47.6 -74.5 -4.4 -49.8 -29.0 -36.3 67 104 A I T < 5S- 0 0 40 -3,-0.9 -1,-0.3 2,-0.2 -31,-0.2 -0.070 125.1-101.1-121.2 33.9 -46.7 -31.1 -35.7 68 105 A N T < 5S+ 0 0 74 -3,-1.9 -32,-2.3 1,-0.2 2,-0.4 0.875 81.5 129.9 57.9 44.6 -45.2 -28.9 -33.1 69 106 A T E < -d 36 0B 0 -5,-1.7 2,-0.3 -34,-0.2 -32,-0.2 -0.992 40.1-159.7-137.7 132.3 -42.7 -27.4 -35.5 70 107 A E E -d 37 0B 18 -34,-2.7 -32,-3.8 -2,-0.4 2,-0.4 -0.735 8.3-142.7-107.5 161.1 -41.8 -23.8 -36.3 71 108 A V E +d 38 0B 1 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.979 16.8 176.8-123.8 134.1 -40.1 -22.2 -39.3 72 109 A V E -d 39 0B 0 -34,-2.7 -32,-2.9 -2,-0.4 2,-0.3 -0.999 10.0-160.9-133.5 134.0 -37.6 -19.3 -39.3 73 110 A A E -df 40 102B 0 28,-2.0 30,-3.4 -2,-0.4 2,-0.3 -0.861 9.9-173.4-113.7 151.6 -35.8 -17.8 -42.3 74 111 A C E +df 41 103B 0 -34,-2.1 -32,-2.3 -2,-0.3 2,-0.3 -0.998 10.0 167.9-145.2 139.7 -32.7 -15.7 -42.2 75 112 A S E - f 0 104B 0 28,-1.7 30,-2.2 -2,-0.3 -31,-0.1 -0.920 48.2-104.8-140.5 173.3 -30.6 -13.7 -44.6 76 113 A V S S+ 0 0 12 -33,-0.7 -32,-0.1 -34,-0.3 28,-0.1 0.522 85.5 110.6 -75.1 -6.6 -27.8 -11.2 -44.3 77 114 A D S S- 0 0 28 -34,-0.2 28,-0.5 26,-0.2 -2,-0.3 -0.272 75.4-102.1 -68.9 156.3 -30.2 -8.3 -45.2 78 115 A S > - 0 0 21 26,-0.1 4,-2.0 27,-0.1 3,-0.2 -0.228 28.0-110.2 -73.3 165.9 -31.2 -5.8 -42.6 79 116 A Q H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.867 118.9 57.7 -63.7 -34.7 -34.6 -5.8 -40.8 80 117 A F H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.846 106.5 46.9 -63.8 -38.5 -35.6 -2.7 -42.8 81 118 A T H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 108.5 56.1 -69.5 -41.7 -35.1 -4.5 -46.1 82 119 A H H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.931 109.8 46.4 -51.9 -47.4 -37.0 -7.5 -44.9 83 120 A L H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.899 110.4 51.0 -67.4 -40.4 -39.9 -5.3 -44.2 84 121 A A H < S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 111.0 50.7 -60.4 -36.0 -39.7 -3.5 -47.5 85 122 A W H >< S+ 0 0 0 -4,-2.4 10,-2.3 1,-0.2 3,-1.0 0.851 108.9 49.8 -73.6 -34.8 -39.7 -6.9 -49.2 86 123 A I H 3< S+ 0 0 17 -4,-1.9 10,-0.3 1,-0.3 -2,-0.2 0.893 109.4 52.2 -67.7 -41.1 -42.8 -8.0 -47.2 87 124 A N T 3< S+ 0 0 118 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.210 92.5 97.1 -81.1 13.4 -44.6 -4.8 -48.2 88 125 A T S < S- 0 0 23 -3,-1.0 8,-1.9 8,-0.1 7,-0.1 -0.915 84.9-113.6-101.0 132.7 -43.7 -5.6 -51.8 89 126 A P > > - 0 0 63 0, 0.0 5,-2.0 0, 0.0 3,-1.7 -0.362 19.5-122.6 -64.6 142.2 -46.4 -7.4 -53.8 90 127 A R G > 5S+ 0 0 111 1,-0.3 3,-2.1 3,-0.2 -2,-0.0 0.799 110.4 65.6 -51.8 -34.4 -45.7 -11.0 -54.8 91 128 A R G 3 5S+ 0 0 239 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.808 103.0 47.3 -62.1 -29.8 -46.2 -10.0 -58.5 92 129 A Q G < 5S- 0 0 152 -3,-1.7 -1,-0.3 0, 0.0 -2,-0.2 0.256 132.7 -94.1 -91.2 11.3 -43.1 -7.8 -58.2 93 130 A G T < 5S+ 0 0 29 -3,-2.1 -3,-0.2 1,-0.2 -47,-0.2 0.730 85.1 134.8 82.2 20.9 -41.2 -10.6 -56.5 94 131 A G < - 0 0 1 -5,-2.0 -1,-0.2 -48,-0.1 -8,-0.2 -0.336 62.5-122.0 -87.2 179.8 -42.1 -9.4 -53.0 95 132 A L - 0 0 0 -10,-2.3 -9,-0.2 -2,-0.1 -5,-0.1 0.648 33.6-153.9 -94.8 -17.5 -43.2 -11.7 -50.2 96 133 A G - 0 0 6 -8,-1.9 -8,-0.1 -11,-0.7 -1,-0.1 -0.096 59.9 -19.8 55.0-174.2 -46.5 -10.0 -49.4 97 134 A P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -10,-0.0 -0.189 77.6-172.7 -54.4 151.7 -47.6 -10.6 -45.8 98 135 A I - 0 0 21 1,-0.1 -77,-0.5 -40,-0.0 -76,-0.2 -0.988 32.3-153.1-158.3 138.9 -45.9 -13.6 -44.2 99 136 A R S S+ 0 0 117 -2,-0.3 -1,-0.1 -79,-0.1 -40,-0.0 0.521 73.4 91.9 -96.3 -4.3 -46.2 -15.6 -40.9 100 137 A I S S- 0 0 2 -46,-0.1 -28,-0.1 -30,-0.1 -81,-0.1 -0.788 83.7-115.2 -90.5 124.6 -42.6 -16.8 -40.9 101 138 A P - 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