==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUN-09 3HY2 . COMPND 2 MOLECULE: PEROXIREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.J.JONSSON,L.C.JOHNSON,W.T.LOWTHER . 571 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 44 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 3 1 0 6 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 0 4 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 . 4 4 0 4 5 2 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 . 2 0 0 0 2 0 0 0 0 0 0 0 1 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 3 A S 0 0 109 0, 0.0 3,-0.5 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0-163.6 0.7 9.2 9.7 2 4 A G - 0 0 28 1,-0.2 112,-0.2 112,-0.1 111,-0.2 -0.135 360.0 -61.7 63.0-153.9 4.4 10.3 10.1 3 5 A N S S+ 0 0 94 110,-3.2 2,-0.9 109,-0.1 -1,-0.2 0.222 89.5 119.7-116.0 7.9 7.0 10.2 7.4 4 6 A A + 0 0 11 109,-0.8 2,-0.4 -3,-0.5 6,-0.1 -0.723 38.5 170.7 -77.7 105.1 7.0 6.4 6.6 5 7 A K > - 0 0 113 -2,-0.9 3,-2.0 4,-0.3 132,-0.4 -0.981 37.0-113.4-122.8 130.2 6.0 6.2 2.9 6 8 A I T 3 S+ 0 0 11 -2,-0.4 132,-0.2 1,-0.3 323,-0.1 -0.367 104.3 20.6 -58.5 131.4 6.1 3.0 0.8 7 9 A G T 3 S+ 0 0 32 130,-2.9 -1,-0.3 1,-0.3 131,-0.1 0.418 109.0 97.5 87.1 0.5 8.7 3.3 -2.0 8 10 A H S < S- 0 0 101 -3,-2.0 129,-2.7 129,-0.2 -1,-0.3 -0.833 91.2 -78.4-116.5 154.9 10.6 6.1 -0.1 9 11 A P B -A 136 0A 94 0, 0.0 -4,-0.3 0, 0.0 127,-0.3 -0.303 55.5-113.6 -49.3 125.4 13.7 6.0 2.1 10 12 A A - 0 0 12 125,-3.0 -6,-0.1 1,-0.1 104,-0.1 -0.393 43.1 -89.2 -58.8 138.9 12.5 4.7 5.6 11 13 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.345 46.3-132.8 -53.7 127.2 12.9 7.4 8.2 12 14 A N - 0 0 84 -3,-0.1 2,-0.3 17,-0.1 101,-0.0 -0.372 26.1-173.8 -72.8 156.2 16.4 7.1 9.7 13 15 A F - 0 0 14 -2,-0.1 16,-1.2 2,-0.1 2,-0.4 -0.969 19.3-153.4-143.8 151.9 16.8 7.2 13.5 14 16 A K E +B 28 0B 157 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.995 35.9 151.4-119.4 127.4 19.7 7.2 15.8 15 17 A A E -B 27 0B 12 12,-2.5 12,-2.8 -2,-0.4 2,-0.4 -0.986 50.3 -99.7-151.2 158.3 18.9 5.7 19.2 16 18 A T E -B 26 0B 37 88,-0.4 88,-2.1 -2,-0.3 2,-0.3 -0.721 46.4-175.3 -81.6 129.6 20.4 3.9 22.1 17 19 A A E -BC 25 103B 0 8,-3.0 8,-1.9 -2,-0.4 2,-0.7 -0.887 30.8-123.3-122.1 150.7 19.7 0.1 21.8 18 20 A V E -BC 24 102B 4 84,-2.3 84,-1.8 -2,-0.3 6,-0.2 -0.911 37.1-145.5 -90.7 115.6 20.4 -2.9 24.0 19 21 A M > - 0 0 28 4,-3.3 3,-2.5 -2,-0.7 79,-0.1 -0.312 26.1-101.1 -79.1 161.1 22.4 -5.2 21.8 20 22 A P T 3 S+ 0 0 64 0, 0.0 78,-0.3 0, 0.0 80,-0.1 0.832 124.0 58.5 -53.7 -32.3 22.1 -9.0 22.0 21 23 A D T 3 S- 0 0 114 2,-0.1 3,-0.1 1,-0.1 78,-0.1 0.518 121.7-108.3 -74.9 -1.2 25.3 -9.1 24.0 22 24 A G S < S+ 0 0 25 -3,-2.5 2,-0.2 1,-0.3 -1,-0.1 0.414 79.0 127.5 89.3 0.6 23.7 -6.9 26.7 23 25 A Q - 0 0 132 -5,-0.1 -4,-3.3 1,-0.0 -1,-0.3 -0.601 60.5-119.7 -87.1 151.5 25.8 -3.8 25.8 24 26 A F E +B 18 0B 82 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.660 36.0 173.1 -84.9 142.1 24.3 -0.4 25.0 25 27 A K E -B 17 0B 119 -8,-1.9 -8,-3.0 -2,-0.3 2,-0.7 -0.975 34.9-127.4-148.8 139.5 25.1 1.0 21.5 26 28 A D E +B 16 0B 92 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.836 43.6 178.7 -85.7 115.5 23.9 4.1 19.7 27 29 A I E -B 15 0B 0 -12,-2.8 -12,-2.5 -2,-0.7 2,-0.4 -0.854 21.2-151.6-120.3 155.8 22.7 2.6 16.4 28 30 A S E > -B 14 0B 16 -2,-0.3 3,-1.7 -14,-0.2 4,-0.3 -0.956 25.6-126.7-123.2 149.7 21.1 4.1 13.2 29 31 A L G > S+ 0 0 12 -16,-1.2 3,-2.4 -2,-0.4 -1,-0.1 0.895 111.4 64.9 -55.5 -40.9 18.7 2.3 10.8 30 32 A S G > S+ 0 0 41 -17,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.651 84.8 74.3 -59.7 -17.6 21.2 3.4 8.1 31 33 A D G < S+ 0 0 94 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.683 92.4 56.4 -63.1 -21.2 23.8 1.1 9.7 32 34 A Y G X S+ 0 0 33 -3,-2.4 3,-1.9 -4,-0.3 -1,-0.2 0.235 72.3 134.1-102.9 10.4 21.9 -1.8 8.3 33 35 A K T < + 0 0 129 -3,-1.2 101,-0.2 1,-0.3 100,-0.1 -0.362 64.5 46.4 -59.3 141.2 22.0 -0.8 4.6 34 36 A G T 3 S+ 0 0 45 99,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.115 109.8 71.4 99.4 -18.8 22.9 -3.8 2.5 35 37 A K S < S- 0 0 89 -3,-1.9 -1,-0.2 98,-0.2 100,-0.2 -0.953 86.9-111.1-126.9 149.4 20.4 -5.9 4.5 36 38 A Y E -d 69 0B 5 32,-1.4 34,-2.5 -2,-0.3 2,-0.4 -0.467 36.8-149.1 -64.7 147.0 16.6 -6.1 4.7 37 39 A V E -dE 70 131B 2 94,-2.9 94,-2.5 32,-0.2 2,-0.7 -0.996 15.6-160.8-127.1 127.3 15.4 -4.7 8.1 38 40 A V E -dE 71 130B 0 32,-2.7 34,-2.8 -2,-0.4 2,-0.6 -0.951 21.2-174.4-100.7 105.3 12.3 -5.8 10.0 39 41 A F E +dE 72 129B 0 90,-2.7 90,-2.8 -2,-0.7 2,-0.4 -0.921 6.2 177.5-107.6 117.7 11.7 -2.9 12.3 40 42 A F E -dE 73 128B 0 32,-2.8 34,-1.5 -2,-0.6 2,-0.3 -0.949 17.5-151.4-129.0 144.5 8.9 -3.4 14.9 41 43 A F E -d 74 0B 0 86,-2.9 34,-0.2 -2,-0.4 32,-0.0 -0.766 8.4-173.6-105.0 152.8 7.4 -1.4 17.8 42 44 A Y - 0 0 3 32,-2.0 82,-0.4 -2,-0.3 34,-0.3 -0.959 30.3-118.5-141.3 155.5 5.7 -2.6 20.9 43 45 A P S S- 0 0 5 0, 0.0 33,-0.7 0, 0.0 81,-0.4 0.934 75.3 -11.9 -65.5 -53.5 4.0 -0.4 23.5 44 46 A L - 0 0 47 31,-0.1 3,-0.5 79,-0.1 2,-0.1 -1.000 53.5-119.6-154.7 143.6 5.9 -1.0 26.9 45 47 A D S S+ 0 0 6 -2,-0.3 37,-0.1 1,-0.2 49,-0.1 -0.447 93.2 20.0 -69.7 154.8 8.4 -3.0 28.8 46 48 A F S S+ 0 0 72 47,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.728 79.3 149.2 61.5 34.5 7.3 -4.8 32.0 47 49 A T - 0 0 32 -3,-0.5 -1,-0.1 2,-0.3 -2,-0.0 -0.252 63.9 -97.3 -84.7-175.1 3.5 -5.0 31.5 48 50 A F S S+ 0 0 57 2,-0.1 2,-0.4 -2,-0.1 383,-0.1 0.541 101.2 83.1 -85.9 -3.7 1.4 -7.8 32.9 49 51 A V S S- 0 0 23 383,-0.1 -2,-0.3 44,-0.0 383,-0.2 -0.810 87.7-112.6 -96.6 137.8 1.3 -9.7 29.6 50 52 A D - 0 0 79 381,-0.5 2,-1.6 -2,-0.4 3,-0.3 -0.428 26.9-119.1 -63.9 142.0 4.2 -12.0 28.6 51 53 A P > + 0 0 12 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.275 56.4 151.8 -83.9 53.6 6.2 -10.6 25.6 52 54 A T H > + 0 0 95 -2,-1.6 4,-2.0 1,-0.2 5,-0.1 0.841 67.9 53.5 -47.9 -46.8 5.4 -13.8 23.6 53 55 A E H > S+ 0 0 21 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.907 110.4 45.4 -58.3 -49.0 5.6 -11.9 20.3 54 56 A I H > S+ 0 0 3 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.912 112.0 51.8 -64.1 -42.6 9.1 -10.5 21.0 55 57 A I H X S+ 0 0 19 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.873 107.8 53.6 -61.9 -37.0 10.4 -13.8 22.2 56 58 A A H X S+ 0 0 33 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.915 109.5 46.4 -65.5 -46.0 9.1 -15.4 19.0 57 59 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 7,-0.2 0.907 117.6 43.7 -63.4 -41.1 11.0 -12.9 16.7 58 60 A S H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.940 111.7 53.3 -68.6 -46.1 14.2 -13.4 18.8 59 61 A D H 3< S+ 0 0 90 -4,-3.2 3,-0.4 1,-0.3 -1,-0.2 0.842 115.6 41.0 -54.9 -37.0 13.8 -17.2 18.9 60 62 A R T >X S+ 0 0 66 -4,-1.7 3,-1.5 1,-0.2 4,-1.1 0.135 75.7 120.4-103.8 22.3 13.4 -17.4 15.2 61 63 A A H <> + 0 0 19 -3,-1.8 4,-2.4 1,-0.3 3,-0.3 0.846 67.5 65.7 -54.9 -34.7 16.1 -14.8 14.4 62 64 A E H 3> S+ 0 0 111 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.3 0.827 96.1 55.5 -57.2 -36.1 18.0 -17.6 12.5 63 65 A E H <> S+ 0 0 60 -3,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.890 109.8 46.3 -66.0 -38.0 15.2 -17.7 9.9 64 66 A F H ><>S+ 0 0 1 -4,-1.1 5,-2.0 -3,-0.3 3,-1.0 0.914 110.0 53.1 -65.2 -43.9 15.7 -13.9 9.3 65 67 A K H ><5S+ 0 0 164 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.876 101.7 59.5 -59.9 -37.8 19.5 -14.2 9.1 66 68 A K H 3<5S+ 0 0 163 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.762 107.0 49.0 -59.9 -26.2 19.0 -16.9 6.4 67 69 A L T <<5S- 0 0 32 -3,-1.0 -31,-0.3 -4,-0.6 -1,-0.3 0.117 120.0-111.9 -96.3 16.1 17.2 -14.2 4.4 68 70 A N T < 5S+ 0 0 84 -3,-2.0 -32,-1.4 1,-0.2 2,-0.4 0.909 74.9 137.9 53.2 44.1 20.0 -11.6 5.0 69 71 A S E < -d 36 0B 9 -5,-2.0 2,-0.5 -34,-0.2 -32,-0.2 -0.947 47.4-146.8-130.2 145.4 17.7 -9.7 7.2 70 72 A Q E -d 37 0B 38 -34,-2.5 -32,-2.7 -2,-0.4 2,-0.4 -0.929 10.2-150.8-109.0 126.8 18.0 -7.9 10.6 71 73 A V E -d 38 0B 4 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.837 16.7-179.4 -96.7 134.9 15.1 -7.8 13.1 72 74 A I E -d 39 0B 0 -34,-2.8 -32,-2.8 -2,-0.4 2,-0.2 -0.987 8.8-160.8-135.6 125.1 15.0 -4.7 15.4 73 75 A G E -df 40 102B 0 28,-2.0 30,-3.3 -2,-0.4 2,-0.3 -0.658 11.5-174.9 -98.2 158.0 12.4 -4.0 18.1 74 76 A A E +df 41 103B 0 -34,-1.5 -32,-2.0 28,-0.2 2,-0.3 -0.991 11.7 166.1-148.5 147.5 11.6 -0.6 19.7 75 77 A S E - f 0 104B 0 28,-1.6 30,-2.2 -2,-0.3 -31,-0.1 -0.940 48.8-103.7-147.5 174.6 9.5 0.9 22.5 76 78 A V S S+ 0 0 5 -33,-0.7 32,-0.1 -34,-0.3 -32,-0.1 0.578 86.5 107.1 -71.7 -12.5 9.4 4.2 24.3 77 79 A D S S- 0 0 18 26,-0.1 28,-0.5 -34,-0.1 -2,-0.3 -0.236 79.8 -97.0 -68.5 156.1 11.1 2.7 27.4 78 80 A S > - 0 0 42 26,-0.1 4,-2.1 1,-0.1 -1,-0.1 -0.289 26.8-115.9 -68.8 160.0 14.7 3.5 28.3 79 81 A H H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.810 117.5 59.5 -65.7 -30.8 17.5 1.2 27.3 80 82 A F H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 106.9 46.6 -58.4 -46.0 18.2 0.6 31.0 81 83 A E H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.903 107.5 56.4 -64.9 -40.6 14.7 -0.7 31.3 82 84 A H H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.930 109.4 47.0 -52.4 -49.3 15.1 -2.9 28.2 83 85 A L H X S+ 0 0 40 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.884 108.1 54.1 -64.2 -40.1 18.2 -4.5 29.8 84 86 A E H < S+ 0 0 115 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.880 110.8 48.1 -54.8 -39.7 16.3 -5.1 33.1 85 87 A W H >< S+ 0 0 6 -4,-1.8 10,-2.1 2,-0.2 3,-1.4 0.880 108.7 51.5 -75.0 -40.6 13.6 -6.9 31.1 86 88 A V H 3< S+ 0 0 21 -4,-2.3 10,-0.3 1,-0.2 -1,-0.2 0.909 111.1 50.7 -53.7 -46.5 16.1 -9.0 29.2 87 89 A N T 3< S+ 0 0 120 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.197 92.2 97.5 -82.8 14.6 17.6 -9.9 32.7 88 90 A T S < S- 0 0 25 -3,-1.4 8,-0.8 8,-0.1 5,-0.0 -0.917 82.1-113.4-104.0 128.1 14.1 -10.8 34.0 89 91 A P > > - 0 0 60 0, 0.0 5,-2.4 0, 0.0 3,-1.5 -0.254 19.8-124.8 -52.8 143.9 13.1 -14.6 34.0 90 92 A K G > 5S+ 0 0 104 1,-0.3 3,-2.0 3,-0.2 -2,-0.0 0.806 111.5 63.8 -60.4 -32.2 10.3 -15.5 31.6 91 93 A K G 3 5S+ 0 0 179 1,-0.3 -1,-0.3 2,-0.2 342,-0.1 0.583 103.6 49.3 -69.7 -11.6 8.4 -17.0 34.6 92 94 A Q G < 5S- 0 0 126 -3,-1.5 -1,-0.3 0, 0.0 -2,-0.2 0.063 132.6 -95.5-109.2 21.9 8.3 -13.5 36.0 93 95 A G T < 5S+ 0 0 14 -3,-2.0 -3,-0.2 1,-0.2 -47,-0.2 0.620 80.5 144.2 73.8 15.7 7.1 -12.1 32.7 94 96 A G < - 0 0 1 -5,-2.4 -1,-0.2 -44,-0.1 -8,-0.2 -0.212 57.3-126.0 -76.4 170.7 10.6 -11.2 31.5 95 97 A L - 0 0 1 -10,-2.1 -9,-0.2 1,-0.1 -5,-0.1 0.825 37.6-156.4 -82.2 -35.8 12.0 -11.3 28.0 96 98 A G - 0 0 7 -11,-1.0 -1,-0.1 -8,-0.8 -8,-0.1 -0.251 52.4 -14.0 74.4-176.6 15.1 -13.5 28.8 97 99 A P S S- 0 0 114 0, 0.0 2,-0.3 0, 0.0 -76,-0.1 -0.263 73.2-144.6 -60.8 140.1 18.2 -13.3 26.5 98 100 A M - 0 0 10 -78,-0.3 -76,-0.1 -79,-0.1 -43,-0.1 -0.832 23.9-164.8-114.3 144.8 17.6 -11.7 23.1 99 101 A N S S+ 0 0 94 -2,-0.3 -28,-0.1 2,-0.1 -1,-0.1 0.328 79.9 63.0-100.7 2.0 19.0 -12.4 19.6 100 102 A I S S- 0 0 2 -81,-0.1 -28,-0.1 -80,-0.1 2,-0.1 -0.934 87.9-107.0-126.9 150.8 17.8 -9.0 18.4 101 103 A P - 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