==== 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 3TKS . COMPND 2 MOLECULE: PEROXIREDOXIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.WANG,L.WANG,X.WANG,F.SUN,C.-C.WANG . 985 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 654 66.4 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 . 151 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 67 6.8 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 . 204 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 4 10 0 0 6 0 0 5 0 0 0 0 1 4 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 10 0 4 1 10 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 0 120 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 108.0 -21.3 -45.4 -8.2 2 39 A L - 0 0 145 1,-0.1 113,-0.1 2,-0.0 2,-0.0 -0.509 360.0 -88.3-100.3 155.2 -22.6 -49.0 -8.6 3 40 A S - 0 0 64 -2,-0.2 111,-0.2 1,-0.2 110,-0.2 -0.304 29.1-169.4 -56.8 128.5 -26.0 -50.6 -8.8 4 41 A K + 0 0 120 109,-2.5 2,-0.8 108,-0.2 110,-0.2 0.411 52.2 114.0 -96.0 1.4 -27.3 -51.5 -5.4 5 42 A A + 0 0 12 108,-0.6 2,-0.5 6,-0.1 6,-0.1 -0.632 38.6 166.7 -82.8 106.2 -30.2 -53.6 -6.9 6 43 A K > - 0 0 118 -2,-0.8 3,-2.1 4,-0.3 131,-0.4 -0.973 37.5-117.3-125.1 126.4 -29.7 -57.2 -6.0 7 44 A I T 3 S+ 0 0 82 -2,-0.5 131,-0.2 1,-0.3 129,-0.0 -0.362 101.6 17.6 -63.3 134.7 -32.3 -59.9 -6.4 8 45 A S T 3 S+ 0 0 76 129,-3.7 -1,-0.3 1,-0.4 130,-0.1 0.451 108.3 98.5 77.0 5.5 -33.4 -61.4 -3.0 9 46 A K S < S- 0 0 102 -3,-2.1 128,-3.0 128,-0.2 -1,-0.4 -0.811 93.3 -81.1-107.6 159.9 -31.9 -58.5 -1.1 10 47 A P B -A 136 0A 90 0, 0.0 126,-0.3 0, 0.0 -4,-0.3 -0.396 56.8-101.7 -59.8 134.2 -34.0 -55.6 0.1 11 48 A A - 0 0 8 124,-2.6 -6,-0.1 1,-0.1 3,-0.1 -0.323 47.8 -90.6 -57.0 135.1 -34.7 -53.1 -2.7 12 49 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.228 49.6-108.8 -47.3 127.5 -32.4 -50.0 -2.6 13 50 A Y + 0 0 104 -3,-0.1 2,-0.3 16,-0.1 100,-0.1 -0.275 45.4 176.1 -58.7 144.6 -34.2 -47.3 -0.5 14 51 A W + 0 0 4 -3,-0.1 15,-2.8 2,-0.0 2,-0.3 -0.996 12.2 171.0-148.7 153.0 -35.5 -44.3 -2.4 15 52 A E E +B 28 0B 100 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.985 15.9 121.6-155.2 159.2 -37.5 -41.1 -1.9 16 53 A G E -B 27 0B 16 11,-1.8 11,-3.1 -2,-0.3 2,-0.3 -0.977 57.5 -52.1 168.8-175.7 -38.4 -38.0 -3.8 17 54 A T E -B 26 0B 28 -2,-0.3 87,-2.4 87,-0.2 2,-0.3 -0.639 51.0-179.7 -90.7 137.1 -41.1 -35.8 -5.1 18 55 A A E -BC 25 103B 0 7,-2.7 7,-2.9 -2,-0.3 2,-0.9 -0.952 33.9-117.4-134.7 152.5 -43.8 -37.3 -7.2 19 56 A V E +BC 24 102B 1 83,-2.3 83,-1.3 -2,-0.3 2,-0.6 -0.837 38.0 176.3 -88.2 103.1 -46.9 -36.1 -9.0 20 57 A I E > S-B 23 0B 44 3,-2.6 3,-1.0 -2,-0.9 79,-0.1 -0.941 72.1 -20.3-110.9 111.8 -49.8 -38.0 -7.3 21 58 A D T 3 S- 0 0 128 -2,-0.6 -1,-0.2 77,-0.5 78,-0.1 0.977 128.5 -49.5 52.7 59.9 -53.2 -36.9 -8.6 22 59 A G T 3 S+ 0 0 43 76,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.543 120.9 103.5 61.3 8.8 -51.9 -33.6 -10.0 23 60 A E E < S-B 20 0B 114 -3,-1.0 -3,-2.6 2,-0.0 2,-0.8 -0.880 76.4-113.1-122.6 156.8 -50.2 -32.8 -6.7 24 61 A F E +B 19 0B 62 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.767 43.9 171.7 -88.4 107.5 -46.6 -32.8 -5.5 25 62 A K E -B 18 0B 90 -7,-2.9 -7,-2.7 -2,-0.8 2,-0.5 -0.908 35.4-119.9-117.2 145.1 -46.2 -35.5 -2.8 26 63 A E E -B 17 0B 130 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.735 36.2-166.0 -82.9 125.3 -43.1 -36.8 -1.0 27 64 A L E -B 16 0B 12 -11,-3.1 -11,-1.8 -2,-0.5 2,-0.4 -0.925 10.7-170.7-123.3 131.8 -42.8 -40.5 -1.7 28 65 A K E > -B 15 0B 89 -2,-0.4 3,-2.1 -13,-0.2 4,-0.3 -0.953 31.8-128.4-121.0 142.6 -40.7 -43.2 -0.0 29 66 A L G > S+ 0 0 17 -15,-2.8 3,-2.2 -2,-0.4 -1,-0.1 0.912 111.2 62.5 -45.8 -44.9 -40.0 -46.8 -1.0 30 67 A T G > S+ 0 0 79 -16,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.642 84.3 75.8 -62.7 -17.0 -41.0 -47.7 2.6 31 68 A D G < S+ 0 0 92 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.661 93.6 53.8 -64.9 -15.5 -44.5 -46.3 2.0 32 69 A Y G X S+ 0 0 25 -3,-2.2 3,-2.2 -4,-0.3 -1,-0.2 0.320 75.4 132.3-105.0 6.8 -45.3 -49.5 0.0 33 70 A R T < + 0 0 140 -3,-1.3 101,-0.2 1,-0.3 100,-0.1 -0.350 69.2 33.0 -57.6 136.6 -44.2 -51.9 2.7 34 71 A G T 3 S+ 0 0 38 99,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.229 113.0 71.5 96.0 -13.3 -46.9 -54.5 3.1 35 72 A K S < S- 0 0 83 -3,-2.2 -1,-0.3 97,-0.2 100,-0.2 -0.910 87.8-105.2-125.5 158.1 -47.8 -54.5 -0.5 36 73 A Y E -d 69 0B 3 32,-2.4 34,-2.7 -2,-0.3 2,-0.4 -0.550 37.8-152.7 -72.0 148.3 -46.1 -55.6 -3.7 37 74 A L E -dE 70 131B 2 94,-3.1 94,-2.5 32,-0.2 2,-0.8 -0.985 17.4-158.5-129.2 125.8 -44.6 -52.8 -5.8 38 75 A V E -dE 71 130B 0 32,-3.1 34,-2.5 -2,-0.4 2,-0.6 -0.893 22.6-175.0 -94.4 106.6 -44.0 -52.6 -9.5 39 76 A F E +dE 72 129B 0 90,-2.8 90,-2.3 -2,-0.8 2,-0.4 -0.913 8.2 176.6-105.9 113.0 -41.3 -49.9 -9.6 40 77 A F E -dE 73 128B 0 32,-2.9 34,-1.7 -2,-0.6 2,-0.3 -0.960 21.3-150.5-129.7 143.1 -40.4 -48.9 -13.2 41 78 A F E -d 74 0B 0 86,-3.8 86,-0.3 -2,-0.4 34,-0.2 -0.786 12.2-173.3-100.6 143.5 -38.1 -46.4 -14.9 42 79 A Y - 0 0 0 32,-2.3 82,-0.4 -2,-0.3 34,-0.3 -0.954 28.0-118.1-132.8 156.6 -38.7 -44.8 -18.3 43 80 A P S S- 0 0 7 0, 0.0 33,-0.6 0, 0.0 81,-0.5 0.943 74.9 -9.4 -62.4 -61.9 -36.4 -42.5 -20.4 44 81 A L > - 0 0 57 31,-0.1 3,-0.9 79,-0.1 6,-0.2 -0.978 54.0-120.4-153.3 131.6 -38.0 -39.1 -20.9 45 82 A D T 3 S+ 0 0 9 -2,-0.3 3,-0.1 1,-0.2 49,-0.1 -0.296 101.3 31.8 -55.3 151.9 -41.3 -37.2 -20.6 46 83 A F T 3 S+ 0 0 98 47,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.723 101.7 103.9 61.7 27.1 -42.5 -35.9 -23.9 47 84 A T S < S- 0 0 33 -3,-0.9 -1,-0.2 46,-0.1 -2,-0.1 -0.111 72.0 -94.3-113.2-139.3 -41.1 -38.8 -25.9 48 85 A F S > S+ 0 0 173 2,-0.1 4,-0.8 -2,-0.1 -2,-0.1 0.919 100.8 26.3-117.7 -80.0 -42.5 -41.9 -27.5 49 86 A V H > S+ 0 0 38 1,-0.2 4,-1.5 2,-0.1 3,-0.0 0.816 112.4 77.7 -55.7 -27.9 -42.8 -45.5 -26.2 50 87 A X H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.854 90.0 43.9 -57.0 -55.5 -42.9 -43.6 -22.8 51 88 A P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.899 111.5 56.9 -56.2 -42.2 -46.5 -42.3 -22.7 52 89 A T H X S+ 0 0 80 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.824 106.6 47.8 -62.8 -34.0 -47.8 -45.7 -23.9 53 90 A E H X S+ 0 0 7 -4,-1.5 4,-2.3 -3,-0.3 5,-0.3 0.948 112.8 46.1 -72.3 -49.8 -46.2 -47.7 -21.1 54 91 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.906 116.4 48.1 -57.7 -40.6 -47.4 -45.4 -18.3 55 92 A I H X S+ 0 0 30 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.927 107.3 54.4 -65.3 -46.6 -50.9 -45.5 -20.0 56 93 A A H X S+ 0 0 39 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.936 116.2 38.1 -55.6 -48.6 -50.9 -49.2 -20.4 57 94 A F H < S+ 0 0 2 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.875 115.6 54.3 -70.4 -36.6 -50.3 -49.7 -16.7 58 95 A G H >< S+ 0 0 4 -4,-2.4 3,-1.1 -5,-0.3 -2,-0.2 0.930 108.5 47.8 -63.4 -45.4 -52.5 -46.8 -15.7 59 96 A D H 3< S+ 0 0 95 -4,-3.5 3,-0.3 1,-0.2 -1,-0.2 0.819 118.4 40.6 -63.2 -32.0 -55.5 -48.2 -17.6 60 97 A R T >X S+ 0 0 64 -4,-1.3 3,-1.1 -5,-0.3 4,-0.6 0.143 78.6 120.4-106.1 21.3 -55.1 -51.7 -16.1 61 98 A L H X> + 0 0 7 -3,-1.1 4,-2.3 1,-0.3 3,-0.7 0.739 65.0 62.2 -61.3 -27.5 -54.2 -50.5 -12.6 62 99 A E H 3> S+ 0 0 127 -3,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.857 94.2 63.2 -70.0 -31.3 -57.2 -52.2 -10.9 63 100 A E H <4 S+ 0 0 77 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 111.3 39.3 -58.4 -29.1 -55.8 -55.6 -12.0 64 101 A F H X<>S+ 0 0 0 -3,-0.7 3,-1.6 -4,-0.6 5,-1.5 0.863 114.2 50.5 -86.2 -42.8 -52.8 -54.8 -9.8 65 102 A R H ><5S+ 0 0 96 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.847 101.9 62.7 -66.4 -32.0 -54.6 -53.2 -6.9 66 103 A S T 3<5S+ 0 0 92 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.445 105.9 47.9 -75.5 0.3 -56.9 -56.1 -6.7 67 104 A I T < 5S- 0 0 36 -3,-1.6 -1,-0.3 2,-0.2 -31,-0.2 -0.118 125.1 -98.7-128.7 35.9 -53.9 -58.2 -5.9 68 105 A N T < 5S+ 0 0 80 -3,-1.7 -32,-2.4 1,-0.2 2,-0.4 0.881 82.3 134.3 56.5 44.1 -52.4 -55.9 -3.2 69 106 A T E < -d 36 0B 0 -5,-1.5 2,-0.2 -34,-0.2 -32,-0.2 -0.985 38.0-162.9-132.7 130.0 -50.0 -54.4 -5.7 70 107 A E E -d 37 0B 18 -34,-2.7 -32,-3.1 -2,-0.4 2,-0.4 -0.680 8.4-145.8-104.6 164.5 -49.0 -50.8 -6.5 71 108 A V E +d 38 0B 0 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.998 14.5 179.4-131.9 130.8 -47.3 -49.3 -9.5 72 109 A V E -d 39 0B 0 -34,-2.5 -32,-2.9 -2,-0.4 2,-0.3 -0.999 10.2-158.1-130.6 134.8 -44.8 -46.3 -9.6 73 110 A A E -df 40 102B 0 28,-2.1 30,-3.2 -2,-0.4 2,-0.3 -0.780 12.3-173.0-107.6 154.6 -43.1 -44.9 -12.6 74 111 A C E +df 41 103B 0 -34,-1.7 -32,-2.3 -2,-0.3 2,-0.3 -0.995 11.7 164.9-151.6 135.2 -39.9 -42.8 -12.5 75 112 A S E - f 0 104B 0 28,-1.6 30,-1.7 -2,-0.3 -31,-0.1 -0.912 49.5-104.6-140.0 172.3 -37.8 -40.8 -14.9 76 113 A V S S+ 0 0 11 -33,-0.6 28,-0.1 -34,-0.3 -32,-0.1 0.456 84.7 112.6 -76.2 -1.9 -35.0 -38.2 -14.5 77 114 A D S S- 0 0 25 26,-0.2 28,-0.6 1,-0.1 -2,-0.2 -0.314 75.0-101.0 -68.2 155.1 -37.4 -35.4 -15.4 78 115 A S > - 0 0 20 26,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.298 27.3-113.5 -70.2 159.0 -38.5 -32.8 -12.8 79 116 A Q H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.860 119.0 58.6 -60.4 -31.5 -41.8 -33.0 -11.0 80 117 A F H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 106.0 46.3 -65.7 -41.1 -42.8 -29.8 -12.9 81 118 A T H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 109.9 55.7 -65.3 -41.6 -42.2 -31.5 -16.3 82 119 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.936 108.5 47.2 -51.1 -52.3 -44.2 -34.5 -15.0 83 120 A L H X S+ 0 0 16 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.901 111.5 49.3 -62.1 -42.5 -47.2 -32.3 -14.2 84 121 A A H < S+ 0 0 47 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.856 110.9 52.0 -64.0 -33.5 -47.1 -30.5 -17.6 85 122 A W H >< S+ 0 0 0 -4,-2.3 10,-1.9 2,-0.2 3,-1.4 0.933 110.1 47.2 -67.0 -47.2 -46.9 -33.9 -19.2 86 123 A I H 3< S+ 0 0 13 -4,-2.6 10,-0.4 1,-0.3 -2,-0.2 0.904 111.0 52.8 -56.1 -43.6 -49.9 -35.1 -17.3 87 124 A N T 3< S+ 0 0 115 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.372 92.4 94.0 -78.4 5.6 -51.7 -31.8 -18.3 88 125 A T S < S- 0 0 29 -3,-1.4 8,-1.8 8,-0.1 7,-0.5 -0.882 86.2-112.2 -97.4 128.4 -50.9 -32.5 -21.9 89 126 A P > > - 0 0 47 0, 0.0 5,-2.1 0, 0.0 3,-2.0 -0.276 19.4-123.3 -56.6 142.3 -53.6 -34.2 -23.9 90 127 A R G > 5S+ 0 0 84 1,-0.3 3,-1.7 3,-0.2 -2,-0.0 0.735 109.1 69.1 -56.8 -27.8 -52.8 -37.8 -25.0 91 128 A R G 3 5S+ 0 0 177 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.709 102.7 44.2 -68.0 -22.7 -53.5 -36.8 -28.6 92 129 A Q G < 5S- 0 0 136 -3,-2.0 -1,-0.3 0, 0.0 -2,-0.2 -0.096 133.9 -89.3-109.3 31.5 -50.3 -34.7 -28.4 93 130 A G T < 5S+ 0 0 33 -3,-1.7 -47,-0.3 1,-0.2 -3,-0.2 0.666 89.5 130.6 74.6 16.2 -48.3 -37.4 -26.7 94 131 A G < - 0 0 1 -5,-2.1 -8,-0.2 -48,-0.1 -1,-0.2 -0.130 62.0-125.5 -83.2-169.9 -49.3 -36.3 -23.2 95 132 A L - 0 0 0 -10,-1.9 -9,-0.2 -7,-0.5 -5,-0.1 0.609 28.8-155.0-110.1 -19.4 -50.7 -38.5 -20.5 96 133 A G - 0 0 6 -8,-1.8 -8,-0.1 -11,-0.7 -1,-0.1 -0.147 64.3 -13.7 57.9-172.1 -53.9 -36.8 -19.6 97 134 A P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 -10,-0.0 -0.262 77.1-168.4 -57.7 143.9 -54.9 -37.6 -16.0 98 135 A I - 0 0 13 1,-0.1 -77,-0.5 2,-0.1 -76,-0.2 -0.994 26.0-156.6-140.5 143.6 -53.0 -40.6 -14.6 99 136 A R S S+ 0 0 70 -2,-0.3 -1,-0.1 -79,-0.1 -40,-0.0 0.626 71.9 88.5 -93.9 -19.9 -53.5 -42.7 -11.5 100 137 A I S S- 0 0 1 -46,-0.1 -28,-0.1 1,-0.1 -79,-0.1 -0.665 85.8-111.7 -82.0 131.5 -49.9 -43.9 -11.2 101 138 A P - 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