==== 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 3TJF . 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 . 976 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 662 67.8 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 . 167 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 55 5.6 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 . 197 20.2 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 5 0 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 . 11 11 0 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 . 6 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 75 A H 0 0 68 0, 0.0 198,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 116.5 3.8 -14.3 13.5 2 76 A L B +A 198 0A 137 196,-0.2 2,-0.3 2,-0.0 196,-0.2 -0.870 360.0 146.0-117.4 145.0 6.4 -14.8 10.8 3 77 A S - 0 0 14 194,-1.1 111,-0.2 -2,-0.3 110,-0.2 -0.957 44.5-135.6-165.4 157.0 9.4 -12.6 9.8 4 78 A K S S+ 0 0 124 109,-2.6 2,-0.7 -2,-0.3 110,-0.2 0.390 74.1 107.3 -98.8 -0.1 13.0 -13.0 8.4 5 79 A A + 0 0 2 108,-0.7 2,-0.4 192,-0.1 6,-0.1 -0.718 42.4 164.1 -83.1 117.3 14.4 -10.5 10.9 6 80 A K > - 0 0 85 -2,-0.7 3,-1.9 4,-0.3 131,-0.4 -0.997 40.1-112.1-136.2 132.7 16.5 -12.3 13.6 7 81 A I T 3 S+ 0 0 12 -2,-0.4 131,-0.2 1,-0.3 332,-0.1 -0.316 103.4 19.6 -61.1 137.5 19.0 -10.8 16.0 8 82 A S T 3 S+ 0 0 55 129,-3.5 -1,-0.3 1,-0.3 130,-0.1 0.417 108.6 96.0 77.0 4.8 22.6 -11.8 15.3 9 83 A K S < S- 0 0 100 -3,-1.9 128,-2.8 128,-0.2 -1,-0.3 -0.802 93.9 -76.3-113.6 160.9 21.7 -12.9 11.7 10 84 A P B -B 136 0B 87 0, 0.0 126,-0.3 0, 0.0 -4,-0.3 -0.339 55.8-109.0 -54.7 131.8 22.1 -10.8 8.5 11 85 A A - 0 0 8 124,-3.1 -6,-0.1 1,-0.1 2,-0.1 -0.341 47.8 -89.6 -54.7 140.8 19.3 -8.2 8.4 12 86 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.379 48.2-108.3 -61.4 134.4 16.9 -9.1 5.6 13 87 A Y + 0 0 103 -3,-0.1 2,-0.3 -2,-0.1 100,-0.1 -0.297 42.9 178.1 -62.0 138.5 17.8 -7.6 2.3 14 88 A W + 0 0 4 -3,-0.1 15,-2.9 2,-0.0 16,-0.3 -0.986 11.5 174.3-139.6 154.4 15.7 -4.8 1.0 15 89 A E E +C 28 0C 96 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.970 19.7 123.5-148.9 152.9 15.7 -2.5 -2.1 16 90 A G E -C 27 0C 19 11,-2.1 11,-2.9 -2,-0.3 2,-0.5 -0.987 58.5 -57.7 176.2-179.3 13.3 0.1 -3.3 17 91 A T E -C 26 0C 48 87,-0.4 87,-2.6 -2,-0.3 2,-0.3 -0.773 50.0-177.0 -86.9 129.8 12.7 3.7 -4.4 18 92 A A E -CD 25 103C 0 7,-2.9 7,-2.9 -2,-0.5 2,-0.6 -0.874 28.5-122.8-117.0 154.5 13.4 6.3 -1.7 19 93 A V E +CD 24 102C 2 83,-2.2 83,-1.7 -2,-0.3 2,-0.4 -0.904 36.2 175.6 -92.8 118.8 13.0 10.1 -1.7 20 94 A I E > -C 23 0C 43 3,-3.0 3,-1.7 -2,-0.6 79,-0.1 -0.988 68.6 -17.1-129.7 119.4 16.4 11.6 -1.1 21 95 A D T 3 S- 0 0 127 77,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.897 129.5 -53.1 50.1 44.3 16.9 15.4 -1.2 22 96 A G T 3 S+ 0 0 37 1,-0.2 2,-0.3 76,-0.2 -1,-0.3 0.560 119.1 104.7 72.0 12.8 13.6 15.6 -3.0 23 97 A E E < S-C 20 0C 115 -3,-1.7 -3,-3.0 2,-0.0 2,-0.5 -0.928 74.6-112.8-123.0 151.3 14.6 13.1 -5.8 24 98 A F E +C 19 0C 80 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.696 44.0 172.0 -77.6 122.7 13.6 9.5 -6.4 25 99 A K E -C 18 0C 99 -7,-2.9 -7,-2.9 -2,-0.5 2,-0.4 -0.976 37.6-115.3-130.9 145.7 16.6 7.2 -6.0 26 100 A E E -C 17 0C 131 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.676 40.0-171.0 -72.7 128.7 17.1 3.4 -5.9 27 101 A L E -C 16 0C 10 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.4 -0.984 7.9-170.6-126.5 142.3 18.2 2.5 -2.4 28 102 A K E > -C 15 0C 65 -2,-0.4 3,-2.2 -13,-0.2 4,-0.5 -0.970 33.9-124.5-130.8 145.0 19.5 -0.9 -1.1 29 103 A L G > S+ 0 0 5 -15,-2.9 3,-1.7 -2,-0.4 4,-0.1 0.873 113.7 59.8 -48.7 -40.2 20.2 -2.3 2.4 30 104 A T G > S+ 0 0 61 -16,-0.3 3,-1.0 1,-0.3 -1,-0.3 0.601 84.2 77.3 -73.3 -11.4 23.8 -3.1 1.1 31 105 A D G < S+ 0 0 91 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.791 95.4 52.4 -60.2 -24.5 24.4 0.6 0.2 32 106 A Y G X S+ 0 0 29 -3,-1.7 3,-1.8 -4,-0.5 -1,-0.2 0.373 75.4 129.5 -96.7 -3.2 24.9 1.0 4.0 33 107 A R T < + 0 0 115 -3,-1.0 101,-0.2 1,-0.2 100,-0.1 -0.265 67.6 38.1 -49.4 141.7 27.5 -1.8 4.5 34 108 A G T 3 S+ 0 0 46 99,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.315 112.9 65.0 94.4 -5.3 30.5 -0.4 6.4 35 109 A K S < S- 0 0 80 -3,-1.8 100,-0.2 97,-0.3 -1,-0.2 -0.970 88.8-100.6-140.7 157.9 28.3 1.8 8.7 36 110 A Y E -e 69 0C 4 32,-1.7 34,-2.2 -2,-0.3 2,-0.4 -0.445 38.6-153.8 -66.9 150.6 25.7 1.2 11.4 37 111 A L E -eF 70 131C 2 94,-3.0 94,-2.8 32,-0.2 2,-0.7 -0.991 16.1-157.1-131.7 132.6 22.2 1.7 10.2 38 112 A V E -eF 71 130C 0 32,-2.6 34,-2.2 -2,-0.4 2,-0.5 -0.917 22.6-176.4 -99.9 110.0 19.1 2.7 12.1 39 113 A F E +eF 72 129C 0 90,-2.9 90,-2.7 -2,-0.7 2,-0.4 -0.940 7.4 173.2-113.7 117.6 16.2 1.4 9.9 40 114 A F E -eF 73 128C 0 32,-2.3 34,-2.0 -2,-0.5 2,-0.3 -0.962 22.5-147.6-135.9 143.8 12.8 2.2 11.1 41 115 A F E -e 74 0C 0 86,-3.3 34,-0.2 -2,-0.4 86,-0.2 -0.756 11.5-170.1-101.7 150.5 9.2 1.9 9.8 42 116 A Y - 0 0 0 32,-2.1 82,-0.3 -2,-0.3 34,-0.3 -0.966 28.3-117.0-136.2 152.2 6.4 4.3 10.6 43 117 A P S S- 0 0 6 0, 0.0 33,-0.6 0, 0.0 81,-0.5 0.956 74.8 -12.6 -58.2 -62.9 2.7 3.7 9.8 44 118 A L > - 0 0 57 31,-0.1 3,-0.8 79,-0.1 6,-0.2 -0.998 56.8-113.1-152.3 137.6 1.5 6.3 7.3 45 119 A D T 3 S+ 0 0 9 -2,-0.3 3,-0.1 1,-0.2 37,-0.1 -0.311 101.5 30.0 -58.9 152.5 2.4 9.6 5.6 46 120 A F T 3 S+ 0 0 80 47,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.784 101.0 108.9 62.1 28.5 0.2 12.6 6.4 47 121 A T S < S- 0 0 24 -3,-0.8 -1,-0.1 46,-0.1 -2,-0.1 -0.035 70.5 -97.9-110.5-137.7 -0.5 11.2 10.0 48 122 A F S > S+ 0 0 42 -2,-0.1 4,-0.8 -3,-0.1 331,-0.1 0.860 99.8 25.9-123.3 -75.7 0.4 12.1 13.6 49 123 A V H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.1 320,-0.4 0.854 111.7 71.2 -64.5 -36.3 3.2 10.5 15.6 50 124 A C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.885 95.8 46.7 -51.6 -52.2 5.0 9.5 12.4 51 125 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.879 109.1 55.7 -61.3 -36.2 6.2 13.1 11.3 52 126 A T H X S+ 0 0 13 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.873 109.8 46.8 -63.2 -35.4 7.5 13.9 14.9 53 127 A E H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.3 5,-0.3 0.922 113.4 46.4 -73.7 -45.7 9.7 10.8 14.7 54 128 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.932 117.8 44.4 -60.1 -44.6 11.1 11.5 11.3 55 129 A I H X S+ 0 0 25 -4,-3.1 4,-3.2 2,-0.2 -2,-0.2 0.901 109.4 56.3 -67.3 -40.3 11.7 15.1 12.4 56 130 A A H X S+ 0 0 27 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.944 115.9 36.5 -58.0 -48.0 13.2 14.0 15.7 57 131 A F H >< S+ 0 0 1 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.901 116.9 52.9 -70.3 -43.2 15.8 11.9 14.0 58 132 A G H >< S+ 0 0 6 -4,-2.7 3,-1.1 -5,-0.3 4,-0.2 0.887 107.3 51.2 -59.3 -44.1 16.3 14.3 11.1 59 133 A D H 3< S+ 0 0 100 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.715 118.3 38.6 -68.2 -18.8 16.9 17.2 13.4 60 134 A R T XX S+ 0 0 72 -4,-0.7 3,-1.5 -3,-0.6 4,-0.7 0.115 77.9 120.1-117.6 21.3 19.6 15.2 15.2 61 135 A L H X> + 0 0 1 -3,-1.1 4,-2.7 1,-0.3 3,-1.0 0.803 66.0 64.3 -58.8 -36.4 21.1 13.4 12.3 62 136 A E H 3> S+ 0 0 101 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.780 95.4 60.2 -62.0 -26.1 24.6 14.8 12.9 63 137 A E H <4 S+ 0 0 85 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.828 111.6 40.5 -69.7 -30.0 24.7 13.0 16.2 64 138 A F H X<>S+ 0 0 0 -3,-1.0 3,-1.7 -4,-0.7 5,-1.7 0.925 114.1 51.0 -76.7 -47.0 24.3 9.8 14.1 65 139 A R H ><5S+ 0 0 93 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.864 103.9 59.3 -61.5 -36.2 26.7 10.8 11.3 66 140 A S T 3<5S+ 0 0 97 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.626 107.0 46.6 -75.3 -10.0 29.4 11.6 13.8 67 141 A I T < 5S- 0 0 35 -3,-1.7 -1,-0.3 2,-0.2 -31,-0.2 -0.084 124.1-103.3-110.9 30.1 29.3 8.0 15.1 68 142 A N T < 5S+ 0 0 77 -3,-1.9 -32,-1.7 1,-0.2 2,-0.4 0.883 80.0 132.5 60.2 41.9 29.3 6.6 11.5 69 143 A T E < -e 36 0C 0 -5,-1.7 2,-0.2 -34,-0.2 -32,-0.2 -0.993 39.8-158.7-132.3 133.6 25.7 5.8 11.5 70 144 A E E -e 37 0C 20 -34,-2.2 -32,-2.6 -2,-0.4 2,-0.4 -0.653 7.8-144.1-104.1 165.8 23.0 6.5 9.0 71 145 A V E +e 38 0C 1 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.998 15.4 179.1-131.8 135.2 19.2 6.6 9.4 72 146 A V E -e 39 0C 0 -34,-2.2 -32,-2.3 -2,-0.4 2,-0.3 -0.998 11.3-157.3-135.6 132.2 16.5 5.5 6.8 73 147 A A E -eg 40 102C 0 28,-2.3 30,-3.4 -2,-0.4 2,-0.3 -0.859 11.4-171.5-108.2 151.2 12.8 5.7 7.4 74 148 A C E +eg 41 103C 0 -34,-2.0 -32,-2.1 -2,-0.3 2,-0.3 -1.000 13.0 163.9-145.3 136.0 10.1 3.5 5.6 75 149 A S E - g 0 104C 0 28,-1.4 30,-2.3 -2,-0.3 -31,-0.1 -0.900 49.9-105.1-135.5 174.3 6.3 3.3 5.2 76 150 A V S S+ 0 0 11 -33,-0.6 -32,-0.1 -2,-0.3 28,-0.1 0.544 84.8 112.3 -75.3 -9.4 4.0 1.5 2.8 77 151 A D S S- 0 0 25 -34,-0.2 28,-0.4 26,-0.1 -2,-0.3 -0.247 74.8-102.0 -61.9 156.4 3.2 4.9 1.1 78 152 A S > - 0 0 21 26,-0.1 4,-2.3 27,-0.1 5,-0.1 -0.248 25.9-112.7 -70.5 163.0 4.4 5.5 -2.5 79 153 A Q H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.803 120.0 57.9 -61.9 -31.7 7.4 7.7 -3.3 80 154 A F H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 108.0 45.7 -66.8 -41.1 5.0 10.2 -4.8 81 155 A T H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 110.6 53.5 -64.9 -43.6 3.2 10.4 -1.5 82 156 A H H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.884 110.5 47.4 -55.7 -43.4 6.5 10.7 0.3 83 157 A L H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.896 110.1 51.0 -70.4 -39.4 7.5 13.7 -1.9 84 158 A A H < S+ 0 0 44 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.885 111.4 49.7 -59.6 -36.4 4.1 15.4 -1.5 85 159 A W H >< S+ 0 0 0 -4,-2.1 10,-2.4 1,-0.2 3,-1.2 0.888 109.8 48.9 -75.0 -40.2 4.6 15.1 2.3 86 160 A I H 3< S+ 0 0 15 -4,-2.1 10,-0.3 1,-0.2 -1,-0.2 0.897 109.7 54.5 -60.8 -40.5 8.1 16.5 2.2 87 161 A N T 3< S+ 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.368 91.6 90.3 -78.5 7.0 6.6 19.4 0.1 88 162 A T S < S- 0 0 35 -3,-1.2 8,-1.6 8,-0.1 7,-0.1 -0.905 89.1-107.1-104.4 129.6 4.0 20.1 2.8 89 163 A P > > - 0 0 53 0, 0.0 3,-2.3 0, 0.0 5,-1.6 -0.236 23.0-120.1 -59.4 140.9 5.0 22.7 5.5 90 164 A R G > 5S+ 0 0 96 1,-0.3 3,-1.4 3,-0.2 -2,-0.0 0.737 110.4 65.5 -48.1 -30.6 5.8 21.2 9.0 91 165 A R G 3 5S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.2 298,-0.1 0.660 98.8 51.8 -73.6 -17.5 3.0 23.4 10.5 92 166 A Q G < 5S- 0 0 78 -3,-2.3 -1,-0.3 297,-0.1 -2,-0.2 0.034 132.5 -91.5-101.1 24.3 0.4 21.4 8.5 93 167 A G T < 5S+ 0 0 0 -3,-1.4 -3,-0.2 1,-0.2 -47,-0.2 0.673 89.2 135.2 75.6 16.1 1.8 18.1 9.9 94 168 A G < - 0 0 0 -5,-1.6 -1,-0.2 1,-0.1 -8,-0.2 -0.280 62.5-124.2 -88.0 176.4 4.0 17.9 6.8 95 169 A L - 0 0 0 -10,-2.4 -9,-0.2 -7,-0.1 -5,-0.1 0.791 32.5-160.6 -90.7 -27.2 7.7 17.0 7.0 96 170 A G - 0 0 6 -8,-1.6 -8,-0.1 -11,-0.8 -9,-0.1 -0.098 59.2 -18.6 60.1-174.5 9.2 20.0 5.2 97 171 A P S S- 0 0 115 0, 0.0 2,-0.3 0, 0.0 -7,-0.0 -0.239 77.3-176.8 -53.7 144.4 12.7 19.5 3.9 98 172 A I - 0 0 19 2,-0.0 -77,-0.4 1,-0.0 -76,-0.2 -0.995 31.4-149.6-146.8 147.5 14.4 16.4 5.5 99 173 A R S S+ 0 0 113 -2,-0.3 -1,-0.0 -79,-0.1 -79,-0.0 0.346 73.3 90.4-101.7 7.5 17.8 14.7 5.3 100 174 A I S S- 0 0 2 -46,-0.1 -28,-0.2 -30,-0.1 -79,-0.1 -0.866 83.1-114.8-101.2 132.3 16.7 11.2 6.0 101 175 A P - 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