==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-AUG-11 3TJK . COMPND 2 MOLECULE: PEROXIREDOXIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.CAO,T.J.TAVENDER,A.W.ROSZAK,R.J.COGDELL,N.J.BULLEID . 975 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 673 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 17.4 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 . 54 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 3 12 0 0 5 0 0 5 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 2 5 2 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 . 7 0 0 0 0 1 0 0 0 0 0 0 2 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 74 A L 0 0 134 0, 0.0 2,-0.5 0, 0.0 200,-0.2 0.000 360.0 360.0 360.0 130.3 1.5 -17.3 14.5 2 75 A H E -A 200 0A 44 198,-2.6 198,-1.2 2,-0.0 2,-0.4 -0.860 360.0-164.3-100.9 130.0 3.6 -14.3 13.7 3 76 A L E +A 199 0A 114 -2,-0.5 2,-0.3 196,-0.2 196,-0.2 -0.909 18.0 149.4-118.5 142.0 6.3 -14.7 10.9 4 77 A S E -A 198 0A 9 194,-1.4 194,-3.3 -2,-0.4 111,-0.2 -0.973 42.1-138.7-159.6 159.3 9.3 -12.6 10.0 5 78 A K S S+ 0 0 110 109,-2.7 2,-0.7 108,-0.3 110,-0.2 0.367 74.1 105.3 -98.0 0.3 12.9 -12.9 8.5 6 79 A A + 0 0 2 108,-0.6 2,-0.4 192,-0.1 6,-0.1 -0.745 43.8 166.0 -90.6 117.3 14.4 -10.5 10.9 7 80 A K > - 0 0 77 -2,-0.7 3,-1.8 4,-0.3 131,-0.4 -1.000 38.6-113.1-134.8 131.2 16.5 -12.2 13.6 8 81 A I T 3 S+ 0 0 12 -2,-0.4 131,-0.2 1,-0.3 332,-0.1 -0.372 103.6 19.6 -60.5 135.0 19.0 -10.7 16.0 9 82 A S T 3 S+ 0 0 49 129,-3.2 -1,-0.3 1,-0.3 130,-0.1 0.340 109.2 95.4 80.6 2.7 22.6 -11.8 15.3 10 83 A K S < S- 0 0 85 -3,-1.8 128,-2.4 128,-0.2 -1,-0.3 -0.801 93.8 -77.8-114.9 157.3 21.7 -12.8 11.7 11 84 A P B -B 137 0B 82 0, 0.0 126,-0.3 0, 0.0 -4,-0.3 -0.330 55.2-109.1 -55.3 134.2 22.1 -10.7 8.6 12 85 A A - 0 0 7 124,-2.8 -6,-0.1 1,-0.1 2,-0.1 -0.319 46.7 -88.2 -56.5 141.5 19.3 -8.2 8.4 13 86 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.362 48.1-108.8 -60.6 131.1 16.8 -9.0 5.6 14 87 A Y + 0 0 105 -3,-0.1 2,-0.3 -2,-0.1 100,-0.1 -0.331 43.1 179.0 -60.9 136.1 17.8 -7.5 2.3 15 88 A W + 0 0 3 -3,-0.1 15,-2.6 2,-0.0 16,-0.4 -0.979 10.9 173.6-137.5 156.0 15.7 -4.7 1.0 16 89 A E E +C 29 0C 110 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.975 19.4 114.8-151.7 146.9 15.6 -2.4 -2.0 17 90 A G E -C 28 0C 23 11,-2.6 11,-3.7 -2,-0.3 2,-0.5 -0.990 59.0 -50.5 178.0-167.4 13.3 0.3 -3.4 18 91 A T E -C 27 0C 47 87,-0.4 87,-2.3 -2,-0.3 2,-0.3 -0.790 48.5-179.7 -94.2 126.4 12.7 3.9 -4.2 19 92 A A E -CD 26 104C 0 7,-3.0 7,-2.7 -2,-0.5 2,-0.6 -0.851 30.3-121.8-115.6 157.6 13.4 6.5 -1.7 20 93 A V E +CD 25 103C 2 83,-2.1 83,-1.9 -2,-0.3 2,-0.4 -0.908 35.5 176.4 -94.6 121.3 13.0 10.3 -1.7 21 94 A I E > -C 24 0C 33 3,-3.0 3,-1.4 -2,-0.6 79,-0.1 -0.985 69.4 -17.5-132.0 116.7 16.5 11.8 -1.0 22 95 A D T 3 S- 0 0 119 -2,-0.4 -1,-0.1 77,-0.4 3,-0.1 0.924 130.0 -51.1 46.6 52.1 16.9 15.6 -1.0 23 96 A G T 3 S+ 0 0 41 76,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.571 119.1 105.5 69.8 12.3 13.6 15.9 -3.0 24 97 A E E < S-C 21 0C 142 -3,-1.4 -3,-3.0 2,-0.0 2,-0.5 -0.944 72.5-114.8-125.2 154.0 14.6 13.4 -5.6 25 98 A F E +C 20 0C 86 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.700 43.3 170.4 -82.9 123.9 13.6 9.8 -6.4 26 99 A K E -C 19 0C 99 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.5 -0.981 39.2-113.1-140.7 142.2 16.5 7.4 -6.0 27 100 A E E -C 18 0C 153 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.655 41.1-172.3 -68.2 116.2 17.1 3.6 -5.9 28 101 A L E -C 17 0C 5 -11,-3.7 -11,-2.6 -2,-0.5 2,-0.3 -0.936 7.7-172.7-118.2 142.3 18.2 2.6 -2.4 29 102 A K E > -C 16 0C 90 -2,-0.4 3,-2.1 -13,-0.2 4,-0.3 -0.974 34.7-124.5-128.8 147.2 19.4 -0.8 -1.1 30 103 A L G > S+ 0 0 2 -15,-2.6 3,-1.9 -2,-0.3 -1,-0.1 0.888 113.1 61.0 -50.1 -39.2 20.2 -2.2 2.4 31 104 A T G > S+ 0 0 59 -16,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.650 84.0 77.0 -71.1 -13.2 23.7 -3.0 1.1 32 105 A D G < S+ 0 0 83 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.694 94.3 53.2 -61.2 -17.2 24.4 0.7 0.4 33 106 A Y G X S+ 0 0 23 -3,-1.9 3,-1.8 -4,-0.3 -1,-0.2 0.288 74.8 130.0-103.9 -0.4 25.0 1.1 4.1 34 107 A R T < + 0 0 107 -3,-1.3 101,-0.2 1,-0.3 100,-0.1 -0.324 67.4 38.8 -56.2 141.6 27.5 -1.7 4.6 35 108 A G T 3 S+ 0 0 46 99,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.263 113.4 64.8 96.3 -7.2 30.5 -0.3 6.5 36 109 A K S < S- 0 0 61 -3,-1.8 100,-0.2 97,-0.3 -1,-0.2 -0.967 87.3-102.2-142.6 158.6 28.3 1.8 8.8 37 110 A Y E -e 70 0C 4 32,-1.5 34,-2.1 -2,-0.3 2,-0.4 -0.449 38.9-156.1 -70.7 152.0 25.7 1.3 11.5 38 111 A L E -eF 71 132C 2 94,-3.1 94,-2.9 32,-0.2 2,-0.7 -0.996 17.4-155.2-137.2 134.9 22.2 1.9 10.3 39 112 A V E -eF 72 131C 0 32,-2.5 34,-2.4 -2,-0.4 2,-0.6 -0.931 22.6-175.1-103.1 107.7 19.0 2.8 12.1 40 113 A F E +eF 73 130C 0 90,-2.7 90,-2.5 -2,-0.7 2,-0.4 -0.932 8.5 175.9-109.8 118.2 16.2 1.6 9.9 41 114 A F E -eF 74 129C 0 32,-2.6 34,-1.9 -2,-0.6 2,-0.3 -0.960 21.6-149.3-135.5 146.7 12.8 2.5 11.0 42 115 A F E -e 75 0C 0 86,-3.2 86,-0.3 -2,-0.4 34,-0.2 -0.784 10.8-172.2-106.5 146.4 9.2 2.1 9.9 43 116 A Y - 0 0 0 32,-2.2 82,-0.3 -2,-0.3 34,-0.3 -0.953 29.5-115.8-132.6 154.9 6.4 4.4 10.6 44 117 A P S S- 0 0 7 0, 0.0 33,-0.7 0, 0.0 81,-0.5 0.962 75.4 -15.4 -59.2 -64.3 2.6 3.9 9.8 45 118 A L > - 0 0 55 31,-0.1 3,-0.7 79,-0.1 6,-0.1 -0.999 56.5-113.7-152.1 138.6 1.5 6.5 7.3 46 119 A D T 3 S+ 0 0 8 -2,-0.3 3,-0.1 1,-0.2 49,-0.1 -0.323 103.0 31.7 -61.3 157.3 2.4 9.8 5.7 47 120 A F T 3 S+ 0 0 78 47,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.785 102.7 107.7 57.4 30.3 0.1 12.7 6.5 48 121 A T S < S- 0 0 26 -3,-0.7 -1,-0.2 46,-0.2 334,-0.1 -0.199 71.5 -94.5-116.5-145.1 -0.6 11.2 10.0 49 122 A F S > S+ 0 0 39 2,-0.1 4,-0.7 -2,-0.1 -1,-0.1 0.936 101.3 22.4-112.3 -74.3 0.3 12.0 13.7 50 123 A V H > S+ 0 0 1 1,-0.2 4,-1.6 96,-0.2 320,-0.4 0.869 112.2 76.7 -60.6 -37.0 3.2 10.5 15.7 51 124 A C H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.835 92.8 43.5 -44.9 -56.7 4.8 9.7 12.3 52 125 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.906 110.7 56.1 -59.6 -39.8 6.1 13.3 11.4 53 126 A T H X S+ 0 0 11 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.825 109.3 46.5 -62.8 -32.5 7.4 14.0 15.0 54 127 A E H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 5,-0.3 0.935 113.4 47.2 -74.7 -49.6 9.6 10.9 14.9 55 128 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.903 116.3 45.5 -59.1 -39.2 11.0 11.7 11.5 56 129 A I H X S+ 0 0 25 -4,-3.0 4,-3.7 2,-0.2 5,-0.2 0.909 108.8 55.9 -71.0 -39.5 11.7 15.3 12.5 57 130 A A H X S+ 0 0 28 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.921 115.4 37.7 -60.1 -46.7 13.2 14.2 15.8 58 131 A F H >< S+ 0 0 1 -4,-2.4 3,-0.6 2,-0.2 -1,-0.2 0.923 116.8 51.9 -67.5 -44.7 15.8 12.0 14.0 59 132 A G H >< S+ 0 0 12 -4,-2.5 3,-1.2 -5,-0.3 4,-0.2 0.911 108.1 51.5 -59.8 -44.1 16.2 14.5 11.1 60 133 A D H 3< S+ 0 0 102 -4,-3.7 -1,-0.2 1,-0.3 3,-0.2 0.753 118.4 37.4 -66.2 -22.7 16.9 17.3 13.4 61 134 A R T XX S+ 0 0 71 -4,-0.8 3,-1.6 -3,-0.6 4,-0.7 0.111 77.6 121.2-116.7 21.5 19.6 15.3 15.3 62 135 A L H X> + 0 0 3 -3,-1.2 4,-2.8 1,-0.3 3,-0.9 0.798 66.8 62.8 -59.2 -34.3 21.1 13.5 12.3 63 136 A E H 3> S+ 0 0 104 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.722 95.1 62.1 -64.5 -24.2 24.6 14.9 12.8 64 137 A E H <4 S+ 0 0 83 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.840 111.8 37.9 -68.0 -32.7 24.7 13.1 16.2 65 138 A F H X<>S+ 0 0 0 -3,-0.9 5,-1.9 -4,-0.7 3,-1.7 0.911 115.2 52.8 -76.8 -47.8 24.3 9.8 14.2 66 139 A R H ><5S+ 0 0 93 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.852 102.9 57.7 -58.6 -35.6 26.6 10.8 11.3 67 140 A S T 3<5S+ 0 0 99 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.646 107.1 48.9 -77.8 -11.0 29.4 11.8 13.6 68 141 A I T < 5S- 0 0 38 -3,-1.7 -1,-0.3 2,-0.2 -31,-0.2 -0.130 124.5-103.4-109.8 32.6 29.3 8.2 15.0 69 142 A N T < 5S+ 0 0 83 -3,-1.7 -32,-1.5 1,-0.2 2,-0.4 0.859 80.0 132.6 57.5 39.8 29.4 6.8 11.5 70 143 A T E < -e 37 0C 0 -5,-1.9 2,-0.2 -34,-0.2 -32,-0.2 -0.988 39.3-158.7-128.7 137.0 25.6 5.9 11.6 71 144 A E E -e 38 0C 28 -34,-2.1 -32,-2.5 -2,-0.4 2,-0.4 -0.670 7.6-144.0-109.1 164.6 23.0 6.6 9.0 72 145 A V E +e 39 0C 2 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.998 15.5 179.3-131.5 133.6 19.2 6.7 9.4 73 146 A V E -e 40 0C 0 -34,-2.4 -32,-2.6 -2,-0.4 2,-0.3 -0.999 10.6-157.7-132.1 137.1 16.6 5.6 6.9 74 147 A A E -eg 41 103C 0 28,-2.1 30,-3.3 -2,-0.4 2,-0.4 -0.805 11.5-170.9-110.5 154.2 12.7 5.8 7.5 75 148 A C E +eg 42 104C 0 -34,-1.9 -32,-2.2 -2,-0.3 2,-0.3 -1.000 12.8 163.4-147.5 135.6 10.1 3.6 5.6 76 149 A S E - g 0 105C 0 28,-1.7 30,-2.6 -2,-0.4 -31,-0.1 -0.925 48.9-105.4-138.2 176.1 6.4 3.4 5.3 77 150 A V S S+ 0 0 11 -33,-0.7 -32,-0.1 -34,-0.3 28,-0.1 0.555 84.6 110.6 -74.2 -11.1 4.0 1.7 2.8 78 151 A D S S- 0 0 25 -34,-0.2 28,-0.4 26,-0.1 -2,-0.3 -0.256 75.4-102.5 -63.3 157.0 3.2 5.0 1.1 79 152 A S > - 0 0 20 26,-0.1 4,-2.4 27,-0.1 5,-0.1 -0.260 27.2-111.1 -72.6 164.1 4.4 5.7 -2.5 80 153 A Q H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.807 120.2 58.1 -65.8 -29.9 7.4 7.8 -3.3 81 154 A F H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 107.4 46.5 -66.8 -39.5 5.0 10.4 -4.8 82 155 A T H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.931 110.2 53.4 -65.0 -46.6 3.2 10.6 -1.4 83 156 A H H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.899 111.2 47.1 -49.1 -47.9 6.6 10.9 0.4 84 157 A L H X S+ 0 0 42 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.891 111.2 49.8 -65.7 -42.6 7.5 13.8 -1.9 85 158 A A H < S+ 0 0 44 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.905 111.8 49.4 -59.5 -42.2 4.1 15.6 -1.4 86 159 A W H >< S+ 0 0 0 -4,-2.6 10,-2.6 1,-0.2 3,-1.0 0.853 110.3 49.6 -68.0 -38.3 4.5 15.2 2.4 87 160 A I H 3< S+ 0 0 14 -4,-2.0 10,-0.3 1,-0.2 -1,-0.2 0.880 108.8 53.5 -65.9 -40.3 8.0 16.6 2.3 88 161 A N T 3< S+ 0 0 119 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.297 93.4 91.6 -79.0 11.4 6.7 19.6 0.2 89 162 A T S < S- 0 0 31 -3,-1.0 8,-1.9 8,-0.1 5,-0.0 -0.920 87.8-108.3-108.5 129.3 4.1 20.2 2.9 90 163 A P > > - 0 0 53 0, 0.0 3,-2.9 0, 0.0 5,-1.5 -0.261 21.7-120.4 -62.5 140.3 5.0 22.7 5.7 91 164 A R G > 5S+ 0 0 96 1,-0.3 3,-1.1 3,-0.2 -2,-0.0 0.695 110.6 66.1 -48.6 -26.5 5.7 21.3 9.2 92 165 A R G 3 5S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 298,-0.1 0.568 98.7 52.0 -79.4 -9.1 2.9 23.4 10.6 93 166 A Q G < 5S- 0 0 76 -3,-2.9 -1,-0.3 297,-0.1 -2,-0.2 -0.099 130.2 -93.0-111.4 32.7 0.3 21.4 8.6 94 167 A G T < 5S+ 0 0 0 -3,-1.1 -47,-0.3 1,-0.2 -3,-0.2 0.666 91.0 132.2 64.9 16.7 1.7 18.0 9.9 95 168 A G < - 0 0 0 -5,-1.5 -1,-0.2 -48,-0.1 -8,-0.2 -0.333 63.9-124.2 -89.9 174.0 3.9 17.9 6.8 96 169 A L - 0 0 0 -10,-2.6 -9,-0.2 -2,-0.1 -5,-0.2 0.799 29.9-160.2 -90.8 -28.4 7.6 17.2 7.0 97 170 A G - 0 0 7 -8,-1.9 -8,-0.1 -11,-0.8 -9,-0.1 -0.099 59.5 -19.7 58.9-175.4 9.1 20.2 5.3 98 171 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.189 76.4 178.8 -55.8 154.7 12.7 19.6 4.0 99 172 A I - 0 0 21 2,-0.0 -77,-0.4 -40,-0.0 -76,-0.2 -0.979 32.9-146.4-160.1 144.7 14.4 16.6 5.6 100 173 A R S S+ 0 0 122 -2,-0.3 -1,-0.0 -79,-0.1 -40,-0.0 0.368 72.6 93.3-104.5 10.8 17.8 14.9 5.3 101 174 A I S S- 0 0 2 -46,-0.1 -28,-0.2 -30,-0.1 -79,-0.1 -0.834 82.0-113.9 -99.6 132.9 16.7 11.3 6.0 102 175 A P - 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