==== 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 3TKQ . COMPND 2 MOLECULE: PEROXIREDOXIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.WANG,L.WANG,X.WANG,F.SUN,C.-C.WANG . 873 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 16.7 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 . 67 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 0 10 0 0 9 0 0 1 0 0 0 0 3 2 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 . 7 10 0 3 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 . 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 40 A S 0 0 106 0, 0.0 110,-0.2 0, 0.0 111,-0.2 0.000 360.0 360.0 360.0 121.5 5.8 -6.1 68.3 2 41 A K + 0 0 129 109,-2.1 2,-0.7 108,-0.2 110,-0.2 0.440 360.0 113.5-100.0 -1.7 8.9 -7.3 66.4 3 42 A A + 0 0 13 108,-0.7 2,-0.4 6,-0.1 6,-0.1 -0.619 38.0 166.1 -78.3 112.1 10.5 -9.3 69.2 4 43 A K > - 0 0 134 -2,-0.7 3,-2.0 4,-0.3 131,-0.4 -0.989 39.6-112.3-130.2 125.1 10.5 -13.0 68.2 5 44 A I T 3 S+ 0 0 92 -2,-0.4 131,-0.2 1,-0.3 129,-0.0 -0.281 102.4 16.6 -56.1 133.4 12.5 -15.7 70.0 6 45 A S T 3 S+ 0 0 74 129,-4.1 -1,-0.3 1,-0.3 130,-0.1 0.523 107.6 97.9 75.4 11.3 15.3 -17.1 67.8 7 46 A K S < S- 0 0 118 -3,-2.0 128,-2.9 128,-0.2 -1,-0.3 -0.822 93.3 -77.1-112.5 161.6 15.1 -14.2 65.4 8 47 A P B -A 134 0A 88 0, 0.0 -4,-0.3 0, 0.0 126,-0.3 -0.350 57.3-104.8 -56.2 134.8 17.5 -11.2 65.5 9 48 A A - 0 0 7 124,-2.5 -6,-0.1 1,-0.1 3,-0.1 -0.383 46.9 -89.8 -60.5 137.1 16.4 -8.8 68.3 10 49 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.286 50.5-111.7 -49.1 124.1 14.7 -5.7 67.0 11 50 A Y + 0 0 106 -3,-0.1 2,-0.3 16,-0.0 100,-0.1 -0.217 43.0 176.9 -57.5 145.6 17.3 -3.0 66.3 12 51 A W + 0 0 6 -3,-0.1 15,-2.4 2,-0.0 16,-0.3 -0.994 14.4 175.4-150.9 156.7 17.4 0.0 68.5 13 52 A E E +B 26 0B 104 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.978 19.6 122.0-154.7 152.3 19.3 3.2 69.1 14 53 A G E -B 25 0B 14 11,-1.9 11,-3.0 -2,-0.3 2,-0.5 -0.983 58.9 -53.2 177.4-172.2 19.0 6.3 71.3 15 54 A T E -B 24 0B 29 87,-0.3 87,-2.4 -2,-0.3 2,-0.3 -0.759 50.5-178.6 -88.2 128.7 20.5 8.5 74.0 16 55 A A E -BC 23 101B 0 7,-2.9 7,-3.0 -2,-0.5 2,-0.7 -0.928 29.4-123.5-123.6 150.3 21.7 6.7 77.1 17 56 A V E +BC 22 100B 2 83,-1.8 83,-1.6 -2,-0.3 2,-0.5 -0.862 34.8 177.2 -91.5 114.7 23.2 8.0 80.3 18 57 A I E > -B 21 0B 42 3,-2.6 3,-1.2 -2,-0.7 79,-0.1 -0.951 68.9 -20.6-124.5 111.6 26.5 6.2 80.8 19 58 A D T 3 S- 0 0 127 -2,-0.5 -1,-0.2 77,-0.5 3,-0.1 0.929 129.3 -48.4 56.3 46.4 28.7 7.2 83.8 20 59 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 76,-0.2 -1,-0.2 0.378 119.9 101.1 82.0 -3.9 26.9 10.6 84.1 21 60 A E E < S-B 18 0B 112 -3,-1.2 -3,-2.6 60,-0.0 2,-0.6 -0.766 75.1-111.8-115.8 159.6 27.2 11.4 80.4 22 61 A F E +B 17 0B 64 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.788 42.5 173.8 -87.6 123.4 24.9 11.4 77.4 23 62 A K E -B 16 0B 99 -7,-3.0 -7,-2.9 -2,-0.6 2,-0.4 -0.990 35.2-120.0-132.1 139.2 26.0 8.7 74.9 24 63 A E E -B 15 0B 121 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.657 38.4-166.2 -72.6 130.4 24.5 7.5 71.6 25 64 A L E -B 14 0B 11 -11,-3.0 -11,-1.9 -2,-0.4 2,-0.3 -0.969 10.0-171.4-128.8 136.2 23.8 3.7 72.1 26 65 A K E > -B 13 0B 75 -2,-0.4 3,-1.0 -13,-0.2 -13,-0.2 -0.926 32.7-129.3-125.4 149.5 23.0 1.1 69.6 27 66 A L G > S+ 0 0 19 -15,-2.4 3,-1.7 -2,-0.3 -1,-0.1 0.873 111.8 60.7 -57.5 -38.1 21.9 -2.6 69.8 28 67 A T G > S+ 0 0 64 -16,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.668 85.0 76.4 -68.8 -16.5 24.7 -3.4 67.4 29 68 A D G < S+ 0 0 92 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.643 94.3 53.7 -63.3 -15.0 27.3 -2.0 69.8 30 69 A Y G X S+ 0 0 27 -3,-1.7 3,-2.3 -4,-0.2 -1,-0.2 0.346 72.7 131.2-107.5 4.2 26.8 -5.2 71.7 31 70 A R T < S+ 0 0 157 -3,-1.3 101,-0.2 1,-0.3 100,-0.1 -0.325 70.6 36.6 -52.2 139.8 27.5 -7.7 68.9 32 71 A G T 3 S+ 0 0 45 99,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.110 112.2 69.1 99.0 -21.1 30.0 -10.3 70.2 33 72 A K S < S- 0 0 84 -3,-2.3 100,-0.3 97,-0.2 -1,-0.2 -0.886 86.1-104.6-126.1 157.5 28.5 -10.3 73.7 34 73 A Y E -d 67 0B 2 32,-2.4 34,-2.6 -2,-0.3 2,-0.4 -0.521 38.4-151.7 -69.2 147.3 25.3 -11.5 75.4 35 74 A L E -dE 68 129B 2 94,-3.2 94,-2.9 32,-0.2 2,-0.8 -0.982 15.8-158.3-131.1 125.4 23.0 -8.6 76.3 36 75 A V E -dE 69 128B 0 32,-2.9 34,-2.7 -2,-0.4 2,-0.6 -0.889 22.2-175.6 -94.5 107.5 20.5 -8.4 79.1 37 76 A F E +dE 70 127B 0 90,-2.8 90,-2.2 -2,-0.8 2,-0.4 -0.915 8.0 171.9-110.4 112.1 18.1 -5.7 77.8 38 77 A F E -dE 71 126B 0 32,-2.6 34,-1.6 -2,-0.6 2,-0.3 -0.948 22.5-149.1-129.0 150.5 15.3 -4.7 80.2 39 78 A F E -dE 72 125B 0 86,-3.2 86,-0.6 -2,-0.4 34,-0.2 -0.840 9.8-171.2-106.8 143.4 12.6 -2.1 80.5 40 79 A Y - 0 0 6 32,-2.2 82,-0.3 -2,-0.3 34,-0.3 -0.943 28.4-118.3-128.7 156.8 11.2 -0.6 83.7 41 80 A P S S- 0 0 13 0, 0.0 33,-0.7 0, 0.0 81,-0.5 0.961 73.6 -9.2 -63.0 -64.0 8.2 1.7 83.9 42 81 A L > - 0 0 62 31,-0.1 3,-0.6 79,-0.1 2,-0.1 -0.989 53.6-122.4-145.5 143.2 9.2 5.2 85.3 43 82 A D T 3 S+ 0 0 8 -2,-0.3 37,-0.1 1,-0.2 49,-0.1 -0.383 91.8 20.9 -66.9 158.3 12.0 7.2 86.9 44 83 A F T 3 S+ 0 0 92 47,-0.2 -1,-0.2 1,-0.1 48,-0.1 0.646 81.0 147.9 63.8 21.9 11.4 8.9 90.3 45 84 A T < - 0 0 60 -3,-0.6 -1,-0.1 2,-0.2 0, 0.0 -0.321 62.1-102.7 -82.1 174.8 8.4 6.8 91.6 46 85 A F S S+ 0 0 218 -2,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.356 94.4 92.9 -83.0 6.0 7.8 6.1 95.3 47 86 A V S S- 0 0 91 44,-0.1 -2,-0.2 1,-0.0 -3,-0.0 -0.888 86.4-110.2-102.9 128.0 9.1 2.5 95.1 48 87 A C - 0 0 92 -2,-0.5 2,-2.6 1,-0.2 3,-0.3 -0.241 29.4-117.3 -52.6 136.2 12.8 1.9 95.8 49 88 A P > + 0 0 18 0, 0.0 4,-1.9 0, 0.0 5,-0.3 -0.228 55.5 154.3 -75.3 52.7 14.7 1.0 92.7 50 89 A T H > + 0 0 95 -2,-2.6 4,-1.8 1,-0.2 5,-0.1 0.818 66.5 47.5 -54.4 -37.3 15.6 -2.5 94.0 51 90 A E H > S+ 0 0 18 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.937 110.7 46.2 -77.7 -44.6 16.0 -4.1 90.6 52 91 A I H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 117.1 47.0 -61.3 -38.2 18.2 -1.6 88.7 53 92 A I H X S+ 0 0 25 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.893 107.8 55.7 -69.8 -40.3 20.4 -1.4 91.8 54 93 A A H X S+ 0 0 29 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.885 111.4 43.6 -61.9 -37.2 20.6 -5.2 92.1 55 94 A F H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.885 114.2 51.6 -73.7 -37.0 21.8 -5.5 88.5 56 95 A G H >< S+ 0 0 2 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.913 111.1 46.4 -63.0 -44.4 24.2 -2.6 89.1 57 96 A D H 3< S+ 0 0 109 -4,-3.2 3,-0.3 1,-0.2 -1,-0.2 0.801 119.7 39.6 -68.4 -30.2 25.7 -4.1 92.2 58 97 A R T >X S+ 0 0 64 -4,-1.3 3,-1.5 -5,-0.3 4,-0.6 0.180 78.2 117.5-107.1 18.3 26.1 -7.5 90.7 59 98 A L H X> + 0 0 1 -3,-0.9 4,-2.1 1,-0.3 3,-1.0 0.803 66.9 64.5 -58.4 -33.4 27.3 -6.3 87.2 60 99 A E H 3> S+ 0 0 94 -3,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.808 93.6 61.7 -61.4 -30.9 30.7 -8.0 87.5 61 100 A E H <4 S+ 0 0 83 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.825 109.0 42.4 -63.9 -31.5 28.9 -11.4 87.6 62 101 A F H X<>S+ 0 0 0 -3,-1.0 5,-1.8 -4,-0.6 3,-1.6 0.870 112.1 51.7 -80.9 -41.3 27.6 -10.7 84.1 63 102 A R H ><5S+ 0 0 97 -4,-2.1 3,-1.5 1,-0.3 -2,-0.2 0.819 99.6 64.8 -68.2 -28.4 30.8 -9.2 82.7 64 103 A S T 3<5S+ 0 0 96 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.575 107.4 44.5 -67.6 -8.7 32.7 -12.3 83.9 65 104 A I T < 5S- 0 0 36 -3,-1.6 -1,-0.3 2,-0.2 -31,-0.2 -0.039 124.1 -97.9-128.0 32.0 30.5 -14.2 81.4 66 105 A N T < 5S+ 0 0 82 -3,-1.5 -32,-2.4 1,-0.2 2,-0.4 0.844 82.5 131.0 63.2 37.5 30.8 -11.9 78.4 67 106 A T E < -d 34 0B 0 -5,-1.8 2,-0.2 -34,-0.2 -32,-0.2 -0.980 38.7-164.1-130.4 132.5 27.4 -10.3 79.2 68 107 A E E -d 35 0B 23 -34,-2.6 -32,-2.9 -2,-0.4 2,-0.4 -0.695 11.2-141.6-106.7 164.2 26.4 -6.6 79.3 69 108 A V E -d 36 0B 1 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.989 15.5-179.1-128.4 136.1 23.2 -5.1 80.9 70 109 A V E -d 37 0B 0 -34,-2.7 -32,-2.6 -2,-0.4 2,-0.3 -0.996 9.0-159.5-134.9 130.9 21.1 -2.2 79.6 71 110 A A E -df 38 100B 0 28,-2.0 30,-3.2 -2,-0.4 2,-0.3 -0.772 12.5-173.2-105.5 155.6 18.1 -0.7 81.2 72 111 A C E +df 39 101B 0 -34,-1.6 -32,-2.2 -2,-0.3 2,-0.3 -0.999 13.0 164.4-150.1 140.0 15.4 1.4 79.5 73 112 A S E - f 0 102B 0 28,-1.8 30,-2.3 -2,-0.3 -31,-0.1 -0.936 49.2-104.2-142.5 174.9 12.4 3.5 80.2 74 113 A V S S+ 0 0 11 -33,-0.7 28,-0.1 -34,-0.3 -32,-0.1 0.508 83.8 113.0 -77.0 -4.0 10.3 6.1 78.3 75 114 A D S S- 0 0 29 -34,-0.2 28,-0.5 26,-0.2 29,-0.3 -0.285 75.4-101.7 -65.6 153.6 11.8 8.9 80.4 76 115 A S > - 0 0 20 26,-0.1 4,-2.2 27,-0.1 5,-0.1 -0.282 27.8-113.1 -66.1 160.6 14.1 11.5 78.8 77 116 A Q H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.840 119.9 59.1 -61.4 -32.4 17.9 11.2 79.2 78 117 A F H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 106.3 45.6 -64.0 -41.5 17.6 14.4 81.2 79 118 A T H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.2 54.2 -67.1 -41.0 15.2 12.8 83.7 80 119 A H H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 110.1 45.9 -55.1 -48.0 17.6 9.7 83.8 81 120 A L H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 112.3 50.9 -66.0 -40.4 20.5 12.0 84.7 82 121 A A H < S+ 0 0 42 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.887 109.9 50.5 -61.3 -39.7 18.5 13.8 87.3 83 122 A W H >< S+ 0 0 7 -4,-2.5 10,-2.2 1,-0.2 3,-1.3 0.920 110.5 48.1 -66.9 -46.3 17.4 10.5 88.8 84 123 A I H 3< S+ 0 0 13 -4,-2.3 10,-0.2 1,-0.3 -1,-0.2 0.885 108.6 55.5 -57.2 -42.5 21.0 9.2 89.0 85 124 A N T 3< S+ 0 0 116 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.415 91.5 92.3 -75.1 2.6 22.1 12.5 90.6 86 125 A T S < S- 0 0 29 -3,-1.3 8,-1.7 8,-0.1 7,-0.2 -0.879 87.5-111.2-100.1 129.4 19.5 12.0 93.3 87 126 A P > > - 0 0 55 0, 0.0 3,-1.9 0, 0.0 5,-1.8 -0.269 17.8-124.7 -57.4 139.1 20.7 10.2 96.5 88 127 A R G > 5S+ 0 0 115 1,-0.3 3,-1.9 3,-0.2 6,-0.0 0.825 110.8 72.1 -51.1 -32.5 19.3 6.7 97.0 89 128 A R G 3 5S+ 0 0 234 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.866 102.1 39.8 -46.6 -43.0 18.3 8.2 100.3 90 129 A Q G < 5S- 0 0 142 -3,-1.9 -1,-0.3 1,-0.0 -2,-0.2 -0.035 131.6 -85.0-105.8 28.8 15.6 10.2 98.5 91 130 A G T < 5S+ 0 0 29 -3,-1.9 -3,-0.2 1,-0.2 -47,-0.2 0.318 90.5 131.5 87.0 -9.7 14.4 7.6 96.0 92 131 A G < - 0 0 0 -5,-1.8 -1,-0.2 1,-0.1 -8,-0.2 0.008 64.9-124.8 -61.8 176.9 17.1 8.5 93.6 93 132 A L - 0 0 0 -10,-2.2 -9,-0.2 -7,-0.2 -5,-0.2 0.702 35.8-156.8 -93.2 -25.8 19.4 5.9 91.9 94 133 A G - 0 0 5 -8,-1.7 -8,-0.1 -11,-0.9 -9,-0.1 -0.077 56.8 -19.1 60.8-179.8 22.6 7.5 93.0 95 134 A P S S- 0 0 111 0, 0.0 2,-0.3 0, 0.0 -7,-0.0 -0.076 75.2-172.4 -53.0 155.3 25.6 6.6 90.8 96 135 A I - 0 0 18 1,-0.1 -77,-0.5 -40,-0.0 -76,-0.2 -0.992 29.5-149.6-156.1 145.4 25.0 3.5 88.7 97 136 A R S S+ 0 0 112 -2,-0.3 -1,-0.1 -79,-0.1 -41,-0.0 0.670 75.4 85.8 -93.4 -18.6 27.2 1.3 86.3 98 137 A I S S- 0 0 3 -46,-0.2 -28,-0.1 1,-0.1 -79,-0.1 -0.695 84.4-113.7 -88.6 129.5 24.4 0.3 83.9 99 138 A P - 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