==== 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 3TJG . 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 . 843 5 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 61 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 9 1 0 10 0 0 0 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 . 6 9 0 2 5 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 . 4 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 77 A S 0 0 105 0, 0.0 110,-0.2 0, 0.0 111,-0.2 0.000 360.0 360.0 360.0 135.6 9.2 -12.1 9.1 2 78 A K + 0 0 126 109,-3.1 2,-0.7 108,-0.2 110,-0.2 0.335 360.0 114.0-111.9 1.3 12.8 -12.5 8.2 3 79 A A + 0 0 14 108,-0.7 2,-0.4 6,-0.1 6,-0.1 -0.700 39.3 169.7 -86.1 117.0 14.3 -10.2 10.7 4 80 A K > - 0 0 132 -2,-0.7 3,-2.3 4,-0.3 131,-0.4 -0.986 37.2-112.7-129.9 130.7 16.5 -12.1 13.1 5 81 A I T 3 S+ 0 0 17 -2,-0.4 131,-0.2 1,-0.3 304,-0.1 -0.277 104.1 15.6 -55.7 134.7 19.0 -10.8 15.7 6 82 A S T 3 S+ 0 0 55 129,-3.2 -1,-0.3 1,-0.3 130,-0.1 0.395 108.9 100.0 78.0 1.8 22.6 -11.7 14.8 7 83 A K S < S- 0 0 116 -3,-2.3 128,-2.8 128,-0.3 -1,-0.3 -0.812 92.3 -79.7-108.9 154.0 21.6 -12.5 11.3 8 84 A P B -A 134 0A 80 0, 0.0 -4,-0.3 0, 0.0 126,-0.3 -0.281 56.5-110.8 -45.1 129.5 22.0 -10.3 8.1 9 85 A A - 0 0 5 124,-3.0 -6,-0.1 1,-0.1 3,-0.1 -0.420 47.6 -87.7 -63.4 147.5 19.1 -7.8 8.2 10 86 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.308 48.0-105.3 -63.6 145.0 16.8 -8.7 5.4 11 87 A Y + 0 0 105 -3,-0.1 2,-0.3 16,-0.1 100,-0.1 -0.384 42.9 175.1 -69.5 138.5 17.5 -7.0 2.1 12 88 A W + 0 0 4 -2,-0.1 15,-2.4 -3,-0.1 16,-0.4 -0.966 10.5 174.1-138.5 155.6 15.4 -4.2 0.9 13 89 A E E +B 26 0B 93 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.942 20.1 123.2-150.8 145.3 15.4 -1.7 -2.1 14 90 A G E -B 25 0B 11 11,-2.5 11,-3.3 -2,-0.3 2,-0.6 -0.957 58.4 -56.3-171.4-166.5 13.0 0.9 -3.2 15 91 A T E -B 24 0B 31 87,-0.4 87,-2.5 -2,-0.3 2,-0.3 -0.842 49.5-178.3 -93.2 126.3 12.4 4.5 -4.1 16 92 A A E -BC 23 101B 0 7,-3.2 7,-2.1 -2,-0.6 2,-0.6 -0.766 28.3-124.7-113.1 161.2 13.3 7.1 -1.4 17 93 A V E +BC 22 100B 4 83,-1.8 83,-1.7 -2,-0.3 2,-0.4 -0.955 33.5 175.5-102.9 124.9 13.0 10.8 -1.3 18 94 A I E > S-B 21 0B 41 3,-2.6 3,-1.4 -2,-0.6 79,-0.1 -0.988 70.9 -17.3-134.5 120.8 16.4 12.3 -0.5 19 95 A D T 3 S- 0 0 130 -2,-0.4 -1,-0.1 77,-0.4 3,-0.1 0.894 128.7 -53.1 44.6 50.9 16.8 16.1 -0.5 20 96 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 76,-0.2 -1,-0.2 0.611 118.4 101.7 68.2 12.7 13.6 16.4 -2.5 21 97 A E E < S-B 18 0B 145 -3,-1.4 -3,-2.6 2,-0.0 2,-0.3 -0.945 76.1-108.5-124.0 152.4 14.6 14.0 -5.4 22 98 A F E +B 17 0B 83 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.624 41.9 176.7 -74.5 129.5 13.7 10.4 -6.1 23 99 A K E -B 16 0B 110 -7,-2.1 -7,-3.2 -2,-0.3 2,-0.4 -0.998 33.4-122.1-134.9 137.9 16.6 8.0 -5.5 24 100 A E E -B 15 0B 93 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.665 39.1-168.0 -71.8 128.3 16.8 4.2 -5.7 25 101 A L E -B 14 0B 2 -11,-3.3 -11,-2.5 -2,-0.4 2,-0.4 -0.994 12.9-169.2-130.0 139.0 18.0 3.0 -2.3 26 102 A K E > -B 13 0B 65 -2,-0.4 3,-2.9 -13,-0.2 4,-0.3 -0.972 31.5-128.5-124.8 134.8 19.2 -0.4 -1.1 27 103 A L G > S+ 0 0 3 -15,-2.4 3,-2.0 -2,-0.4 -1,-0.1 0.913 113.2 61.0 -40.6 -43.9 19.8 -1.6 2.5 28 104 A T G > S+ 0 0 54 -16,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.544 81.5 78.0 -73.6 -6.2 23.2 -2.5 1.2 29 105 A D G < S+ 0 0 84 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.619 93.2 56.4 -67.2 -11.4 24.1 1.1 0.3 30 106 A Y G X S+ 0 0 28 -3,-2.0 3,-1.7 -4,-0.3 -1,-0.2 0.327 72.3 128.2-105.8 0.6 24.7 1.4 4.0 31 107 A R T < + 0 0 106 -3,-0.9 101,-0.2 1,-0.2 100,-0.1 -0.337 68.6 40.8 -52.8 141.1 27.3 -1.3 4.4 32 108 A G T 3 S+ 0 0 47 99,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.284 113.2 63.4 99.5 -5.8 30.4 0.2 6.2 33 109 A K S < S- 0 0 85 -3,-1.7 100,-0.2 97,-0.2 -1,-0.2 -0.979 88.1-103.1-144.6 152.7 28.2 2.2 8.6 34 110 A Y E -d 67 0B 2 32,-1.9 34,-2.3 -2,-0.3 2,-0.4 -0.504 39.3-153.4 -68.4 146.0 25.6 1.5 11.3 35 111 A L E -dE 68 129B 2 94,-3.5 94,-2.6 32,-0.2 2,-0.8 -0.983 17.7-157.4-127.7 131.8 22.1 2.1 10.2 36 112 A V E -dE 69 128B 0 32,-2.9 34,-2.4 -2,-0.4 2,-0.6 -0.903 22.3-175.5 -98.2 107.6 19.0 3.1 12.1 37 113 A F E +dE 70 127B 0 90,-2.4 90,-1.8 -2,-0.8 2,-0.3 -0.913 9.3 176.1-104.4 114.5 16.2 1.8 9.9 38 114 A F E -dE 71 126B 0 32,-2.6 34,-1.7 -2,-0.6 2,-0.4 -0.929 22.1-147.4-131.3 154.5 12.7 2.8 11.2 39 115 A F E -dE 72 125B 0 86,-3.3 86,-0.8 -2,-0.3 34,-0.2 -0.836 11.2-174.9-111.8 145.8 9.1 2.5 10.1 40 116 A Y - 0 0 7 32,-2.3 82,-0.3 -2,-0.4 34,-0.2 -0.930 32.0-114.7-134.2 154.7 6.3 4.9 10.9 41 117 A P S S- 0 0 14 0, 0.0 33,-0.4 0, 0.0 81,-0.4 0.830 73.0 -25.7 -64.3 -45.2 2.6 4.3 10.0 42 118 A L > - 0 0 60 31,-0.1 3,-0.5 79,-0.1 2,-0.1 -0.942 50.3-112.3-168.5 149.5 1.6 7.0 7.4 43 119 A D T 3 S+ 0 0 10 -2,-0.3 49,-0.1 1,-0.2 37,-0.1 -0.482 92.8 24.0 -71.3 151.6 2.2 10.4 5.9 44 120 A F T 3 S+ 0 0 87 1,-0.2 -1,-0.2 47,-0.2 48,-0.1 0.610 79.6 148.0 74.8 21.2 -0.3 13.2 6.3 45 121 A T < - 0 0 68 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.0 -0.192 61.9-108.6 -77.8 178.2 -2.1 12.2 9.4 46 122 A F S S+ 0 0 196 2,-0.1 2,-0.5 -2,-0.0 -1,-0.1 0.385 94.6 92.0 -88.1 6.2 -3.6 14.6 12.0 47 123 A V S S- 0 0 52 44,-0.1 -2,-0.2 289,-0.0 -3,-0.1 -0.894 87.0-112.0-105.1 120.9 -0.9 13.6 14.5 48 124 A a - 0 0 33 289,-0.9 2,-1.0 -2,-0.5 3,-0.3 -0.159 23.2-127.5 -47.3 138.9 2.3 15.8 14.5 49 125 A P > + 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.345 50.0 152.8 -90.9 54.1 5.4 13.8 13.2 50 126 A T H > + 0 0 85 -2,-1.0 4,-3.6 1,-0.2 5,-0.2 0.864 66.7 53.0 -51.9 -46.0 7.6 14.7 16.2 51 127 A E H > S+ 0 0 16 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.904 110.1 44.9 -62.3 -47.3 9.7 11.5 15.9 52 128 A I H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.926 117.2 46.8 -60.3 -45.0 10.7 12.0 12.3 53 129 A I H X S+ 0 0 25 -4,-2.4 4,-3.6 2,-0.2 -2,-0.2 0.939 111.2 51.9 -60.6 -45.7 11.4 15.7 13.0 54 130 A A H X S+ 0 0 34 -4,-3.6 4,-0.8 -5,-0.2 -2,-0.2 0.923 112.8 43.9 -58.8 -44.5 13.4 14.7 16.1 55 131 A F H >< S+ 0 0 0 -4,-2.6 3,-0.5 2,-0.2 -1,-0.2 0.924 115.2 50.6 -66.8 -42.8 15.6 12.3 14.2 56 132 A G H >< S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.938 109.6 49.1 -55.8 -51.9 16.0 14.8 11.4 57 133 A D H 3< S+ 0 0 110 -4,-3.6 -1,-0.2 1,-0.3 3,-0.2 0.677 116.1 43.5 -63.5 -19.8 17.0 17.6 13.7 58 134 A R T XX S+ 0 0 64 -4,-0.8 3,-1.6 -3,-0.5 4,-0.9 0.167 75.4 118.7-117.0 18.8 19.6 15.5 15.4 59 135 A L H X> + 0 0 1 -3,-1.4 4,-3.0 1,-0.3 3,-0.6 0.809 66.5 62.5 -59.1 -36.7 21.1 13.8 12.4 60 136 A E H 3> S+ 0 0 104 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.734 98.0 59.3 -65.2 -20.1 24.6 15.1 12.9 61 137 A E H <4 S+ 0 0 81 -3,-1.6 -1,-0.3 2,-0.2 4,-0.2 0.867 110.3 41.4 -76.6 -35.1 24.8 13.2 16.2 62 138 A F H X<>S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.6 5,-1.3 0.941 114.4 53.2 -68.4 -46.6 24.2 10.0 14.4 63 139 A R H ><5S+ 0 0 107 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.840 100.3 59.9 -60.4 -35.2 26.5 11.1 11.6 64 140 A S T 3<5S+ 0 0 99 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.575 106.8 48.5 -73.6 -8.4 29.4 11.8 14.0 65 141 A I T < 5S- 0 0 35 -3,-1.8 -1,-0.3 -4,-0.2 -31,-0.2 -0.061 124.9-101.7-112.5 31.6 29.3 8.2 15.1 66 142 A N T < 5S+ 0 0 78 -3,-1.7 -32,-1.9 1,-0.2 2,-0.4 0.888 79.2 135.4 58.0 45.0 29.3 6.8 11.5 67 143 A T E < -d 34 0B 0 -5,-1.3 2,-0.2 -34,-0.2 -32,-0.2 -0.988 38.8-159.8-131.3 133.0 25.5 6.1 11.5 68 144 A E E -d 35 0B 20 -34,-2.3 -32,-2.9 -2,-0.4 2,-0.4 -0.657 8.8-147.0-104.0 163.1 22.8 6.8 9.0 69 145 A V E -d 36 0B 0 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -1.000 14.3-179.1-132.5 126.0 19.1 7.0 9.6 70 146 A V E -d 37 0B 0 -34,-2.4 -32,-2.6 -2,-0.4 2,-0.3 -1.000 10.5-157.1-123.1 132.6 16.4 6.0 7.0 71 147 A A E -df 38 100B 0 28,-2.3 30,-3.6 -2,-0.4 2,-0.3 -0.795 12.6-171.0-105.4 152.6 12.6 6.3 7.7 72 148 A C E +df 39 101B 0 -34,-1.7 -32,-2.3 -2,-0.3 2,-0.3 -0.998 13.8 166.2-145.0 133.3 10.0 4.2 5.9 73 149 A S E - f 0 102B 0 28,-1.4 30,-2.7 -2,-0.3 -31,-0.1 -0.890 50.1-105.0-130.4 176.5 6.2 4.0 5.5 74 150 A V S S+ 0 0 13 -33,-0.4 28,-0.1 -2,-0.3 -32,-0.1 0.458 84.9 115.8 -75.7 -4.6 3.9 2.1 3.1 75 151 A D S S- 0 0 24 26,-0.1 28,-0.4 1,-0.1 -2,-0.3 -0.317 74.4-101.4 -61.6 150.1 3.2 5.5 1.3 76 152 A S > - 0 0 22 26,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.179 27.5-114.2 -63.6 158.8 4.3 6.1 -2.3 77 153 A Q H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.853 120.9 58.6 -63.1 -27.9 7.5 8.1 -3.0 78 154 A F H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 106.0 45.9 -69.1 -43.5 5.1 10.7 -4.6 79 155 A T H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.899 112.0 51.3 -59.5 -44.6 3.2 11.0 -1.3 80 156 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.932 110.7 50.1 -56.7 -48.8 6.5 11.3 0.7 81 157 A L H X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.919 112.9 45.2 -58.4 -45.7 7.6 14.1 -1.8 82 158 A A H < S+ 0 0 46 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.865 110.9 53.5 -66.8 -39.3 4.3 15.9 -1.3 83 159 A W H >< S+ 0 0 9 -4,-2.9 10,-2.3 1,-0.2 11,-1.1 0.917 110.1 47.1 -60.3 -47.6 4.4 15.5 2.5 84 160 A I H 3< S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 111.5 53.0 -58.8 -40.9 7.9 17.1 2.5 85 161 A N T 3< S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.456 91.0 87.6 -79.2 -1.6 6.7 19.9 0.2 86 162 A T S < S- 0 0 37 -3,-1.0 8,-1.5 -4,-0.4 7,-0.1 -0.872 89.2-115.4 -94.4 130.1 3.8 20.7 2.5 87 163 A P > > - 0 0 59 0, 0.0 3,-1.8 0, 0.0 5,-1.5 -0.377 21.1-115.2 -65.7 145.5 4.9 23.2 5.2 88 164 A R G > 5S+ 0 0 111 1,-0.3 3,-1.4 3,-0.2 -2,-0.0 0.801 114.0 61.1 -44.6 -38.8 4.9 22.0 8.8 89 165 A R G 3 5S+ 0 0 192 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.779 100.7 52.2 -64.1 -32.4 2.1 24.6 9.6 90 166 A Q G < 5S- 0 0 120 -3,-1.8 -1,-0.3 1,-0.0 -2,-0.2 0.353 133.4 -85.7 -87.1 5.8 -0.4 23.1 7.1 91 167 A G T < 5S+ 0 0 42 -3,-1.4 -3,-0.2 -4,-0.3 -47,-0.2 0.631 91.7 125.8 98.6 20.7 0.0 19.6 8.6 92 168 A G < - 0 0 1 -5,-1.5 -1,-0.2 -8,-0.1 -8,-0.2 -0.354 68.0-119.0-104.4 178.4 3.1 18.6 6.5 93 169 A L - 0 0 0 -10,-2.3 -9,-0.2 -13,-0.1 -5,-0.1 0.790 42.4-159.2 -86.3 -32.7 6.6 17.4 7.2 94 170 A G - 0 0 2 -8,-1.5 -8,-0.1 -11,-1.1 -9,-0.1 -0.097 50.6 -18.5 71.5-180.0 8.6 20.3 5.7 95 171 A P S S- 0 0 112 0, 0.0 2,-0.3 0, 0.0 -7,-0.0 -0.262 71.8-179.2 -54.3 145.1 12.2 19.9 4.6 96 172 A I - 0 0 23 -40,-0.0 -77,-0.4 2,-0.0 -76,-0.2 -0.984 30.7-150.2-147.5 148.5 13.9 16.9 6.2 97 173 A R S S+ 0 0 116 -2,-0.3 -1,-0.0 -79,-0.1 -40,-0.0 0.337 74.1 92.1-104.4 6.5 17.5 15.5 6.0 98 174 A I S S- 0 0 4 -46,-0.1 -28,-0.1 -30,-0.1 -81,-0.1 -0.888 83.0-116.0-105.3 126.9 16.4 11.9 6.5 99 175 A P - 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