==== 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 COMPLEX 11-OCT-07 2RII . COMPND 2 MOLECULE: PEROXIREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.J.JONSSON,L.C.JOHNSON,W.T.LOWTHER . 574 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 2 3 3 0 0 0 2 0 1 1 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 2 7 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 16 0, 0.0 3,-0.3 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 112.5 -16.9 -10.3 4.3 2 4 A G - 0 0 44 1,-0.3 112,-0.2 113,-0.3 111,-0.2 -0.370 360.0 -31.9 52.7-133.3 -18.8 -12.8 2.0 3 5 A N S S+ 0 0 110 110,-1.1 -1,-0.3 109,-0.2 111,-0.2 0.885 115.3 108.7 -70.3 -42.9 -17.0 -16.1 2.6 4 6 A A + 0 0 0 109,-1.4 2,-0.4 -3,-0.3 6,-0.1 -0.115 49.1 179.8 -42.9 116.6 -13.6 -14.3 3.1 5 7 A K > - 0 0 133 4,-0.4 3,-1.4 3,-0.2 132,-0.4 -0.986 29.8-116.6-127.1 129.5 -13.0 -14.7 6.8 6 8 A I T 3 S+ 0 0 11 -2,-0.4 132,-0.2 1,-0.2 322,-0.1 -0.447 101.8 21.2 -68.1 143.0 -9.9 -13.3 8.5 7 9 A G T 3 S+ 0 0 25 130,-2.7 -1,-0.2 1,-0.3 131,-0.1 0.221 112.1 89.2 83.8 -15.0 -7.6 -16.0 10.0 8 10 A H S < S- 0 0 94 -3,-1.4 129,-2.3 1,-0.1 -1,-0.3 -0.734 93.6 -75.2-109.3 159.8 -9.2 -18.6 7.7 9 11 A P B -A 136 0A 93 0, 0.0 -4,-0.4 0, 0.0 127,-0.2 -0.178 55.6 -99.8 -58.4 149.1 -8.1 -19.5 4.1 10 12 A A - 0 0 15 125,-2.5 2,-0.7 1,-0.1 -4,-0.0 -0.519 39.7 -99.7 -75.9 130.6 -8.9 -17.1 1.3 11 13 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.291 49.7-134.3 -50.6 95.5 -11.9 -17.9 -0.9 12 14 A N - 0 0 85 -2,-0.7 2,-0.3 16,-0.1 16,-0.0 0.042 28.6-178.2 -53.7 160.8 -10.1 -19.4 -3.8 13 15 A F - 0 0 12 2,-0.0 16,-1.3 100,-0.0 2,-0.3 -0.983 20.8-155.2-160.3 159.3 -10.9 -18.4 -7.4 14 16 A K E +B 28 0B 137 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.931 31.8 142.5-145.4 112.0 -10.0 -19.2 -11.0 15 17 A A E -B 27 0B 13 12,-2.1 12,-2.8 -2,-0.3 2,-0.5 -0.955 53.6 -87.0-146.4 165.4 -10.5 -16.6 -13.8 16 18 A T E -B 26 0B 28 -2,-0.3 88,-1.0 88,-0.3 2,-0.4 -0.654 47.7-168.2 -78.0 124.4 -9.0 -15.3 -17.0 17 19 A A E -BC 25 103B 0 8,-1.8 8,-0.7 -2,-0.5 2,-0.7 -0.909 25.3-128.6-120.5 139.0 -6.6 -12.5 -16.2 18 20 A V E -BC 24 102B 6 84,-2.1 84,-2.2 -2,-0.4 6,-0.2 -0.766 36.0-150.5 -83.0 117.0 -4.9 -10.0 -18.4 19 21 A M > - 0 0 26 4,-1.9 3,-0.8 -2,-0.7 79,-0.2 -0.363 28.2 -99.4 -84.5 167.8 -1.2 -10.3 -17.5 20 22 A P T 3 S+ 0 0 67 0, 0.0 78,-0.2 0, 0.0 80,-0.1 0.691 119.0 59.9 -53.2 -23.9 1.5 -7.5 -17.7 21 23 A D T 3 S- 0 0 107 2,-0.2 3,-0.1 76,-0.1 78,-0.0 0.726 117.6-102.5 -85.4 -28.7 2.7 -8.9 -21.0 22 24 A G S < S+ 0 0 36 -3,-0.8 2,-0.2 1,-0.4 65,-0.0 0.184 82.6 110.5 128.1 -11.6 -0.5 -8.5 -23.1 23 25 A Q - 0 0 141 1,-0.1 -4,-1.9 -5,-0.0 -1,-0.4 -0.638 64.7-115.7-104.6 151.2 -1.8 -12.1 -23.0 24 26 A F E +B 18 0B 81 -2,-0.2 2,-0.2 -6,-0.2 -6,-0.2 -0.409 32.7 173.2 -74.1 155.1 -4.7 -14.0 -21.4 25 27 A K E -B 17 0B 127 -8,-0.7 -8,-1.8 -2,-0.1 2,-0.3 -0.744 31.6-130.4-167.7 113.8 -4.1 -16.7 -18.9 26 28 A D E +B 16 0B 97 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.3 -0.552 45.0 171.5 -65.9 122.6 -6.6 -18.5 -16.8 27 29 A I E -B 15 0B 3 -12,-2.8 -12,-2.1 -2,-0.3 2,-0.3 -0.875 25.2-147.8-135.3 170.7 -5.2 -18.3 -13.2 28 30 A S E > -B 14 0B 20 -2,-0.3 3,-1.1 -14,-0.2 4,-0.3 -0.950 30.9-115.7-139.5 153.3 -6.1 -19.0 -9.6 29 31 A L G > S+ 0 0 13 -16,-1.3 3,-1.0 -2,-0.3 4,-0.1 0.745 112.1 66.1 -61.7 -26.5 -5.2 -17.5 -6.2 30 32 A S G > S+ 0 0 45 -17,-0.3 3,-3.1 1,-0.2 -1,-0.3 0.868 83.9 73.5 -55.9 -39.8 -3.4 -20.7 -5.2 31 33 A D G < S+ 0 0 95 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 97.9 48.0 -56.2 -17.2 -0.8 -20.1 -7.9 32 34 A Y G X S+ 0 0 30 -3,-1.0 3,-2.4 -4,-0.3 -1,-0.3 0.380 75.8 135.9-107.6 -0.7 0.7 -17.3 -5.7 33 35 A K T < + 0 0 130 -3,-3.1 101,-0.2 1,-0.3 100,-0.1 -0.309 67.6 44.4 -45.6 120.5 0.8 -19.5 -2.6 34 36 A G T 3 S+ 0 0 43 99,-1.2 2,-0.4 1,-0.4 -1,-0.3 0.199 107.0 73.3 111.4 -10.8 4.2 -18.7 -1.1 35 37 A K S < S- 0 0 75 -3,-2.4 -1,-0.4 97,-0.2 2,-0.4 -0.972 88.3-110.0-128.2 145.8 3.8 -15.0 -1.7 36 38 A Y E -d 69 0B 3 32,-1.8 34,-2.0 -2,-0.4 2,-0.5 -0.646 38.5-153.3 -66.6 131.5 1.7 -12.4 0.1 37 39 A V E -dE 70 131B 2 94,-1.9 94,-3.1 -2,-0.4 2,-0.6 -0.963 14.2-159.7-113.5 128.1 -1.0 -11.3 -2.3 38 40 A V E -dE 71 130B 0 32,-1.3 34,-2.5 -2,-0.5 2,-0.5 -0.948 19.8-170.7 -98.1 115.2 -2.8 -8.0 -2.3 39 41 A F E -dE 72 129B 0 90,-3.7 90,-3.8 -2,-0.6 2,-0.4 -0.927 5.9-178.9-116.9 122.5 -6.0 -8.6 -4.1 40 42 A F E -dE 73 128B 0 32,-2.5 34,-1.4 -2,-0.5 88,-0.3 -0.968 17.4-150.5-134.4 138.8 -8.2 -5.6 -5.0 41 43 A F E -d 74 0B 0 86,-3.6 34,-0.2 -2,-0.4 32,-0.0 -0.603 11.3-175.8 -92.8 156.1 -11.5 -4.9 -6.7 42 44 A Y - 0 0 2 32,-1.7 34,-0.3 -2,-0.2 82,-0.3 -0.968 29.6-119.0-151.0 147.8 -12.6 -1.8 -8.7 43 45 A P S S- 0 0 3 0, 0.0 33,-0.5 0, 0.0 81,-0.4 0.829 75.4 -6.0 -60.6 -47.6 -16.0 -1.0 -10.2 44 46 A L - 0 0 53 31,-0.1 3,-0.4 1,-0.1 79,-0.0 -0.974 48.0-130.0-154.6 160.7 -15.6 -0.7 -14.0 45 47 A D S S+ 0 0 0 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.843 101.2 42.2 -89.8 -39.1 -13.2 -0.6 -16.9 46 48 A F S S+ 0 0 80 48,-0.0 -1,-0.2 2,-0.0 48,-0.0 -0.350 82.6 168.7-109.2 60.5 -14.1 2.5 -18.9 47 49 A T - 0 0 26 -3,-0.4 421,-0.0 -2,-0.4 -2,-0.0 -0.164 44.0-138.4 -62.5 152.9 -14.6 4.8 -16.0 48 50 A F S S+ 0 0 68 2,-0.1 2,-0.3 389,-0.1 372,-0.1 0.455 83.8 96.3 -89.7 -3.4 -15.0 8.5 -16.3 49 51 A V S S- 0 0 25 388,-0.1 388,-0.3 389,-0.1 -2,-0.1 -0.666 93.5-109.7 -77.6 137.7 -12.8 8.6 -13.2 50 52 A a - 0 0 21 386,-1.4 3,-0.5 -2,-0.3 -2,-0.1 -0.619 31.9-131.2 -64.8 121.8 -9.1 9.1 -14.0 51 53 A P >> + 0 0 25 0, 0.0 4,-1.5 0, 0.0 3,-1.4 0.237 61.0 139.2 -74.0 16.8 -7.9 5.6 -13.0 52 54 A T H 3> + 0 0 42 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.690 63.7 63.6 -32.8 -35.9 -5.1 7.1 -10.9 53 55 A E H 3> S+ 0 0 25 -3,-0.5 4,-1.1 2,-0.2 -1,-0.3 0.958 109.5 35.1 -54.2 -58.5 -5.9 4.4 -8.2 54 56 A I H <> S+ 0 0 4 -3,-1.4 4,-2.9 1,-0.2 3,-0.5 0.914 114.6 56.7 -67.2 -43.9 -4.9 1.4 -10.4 55 57 A I H X S+ 0 0 18 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.827 104.9 56.4 -52.2 -33.4 -2.1 3.3 -12.1 56 58 A A H X S+ 0 0 29 -4,-1.4 4,-1.7 -5,-0.4 -1,-0.2 0.867 108.6 42.8 -72.5 -36.4 -0.8 3.8 -8.6 57 59 A F H < S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.878 118.8 46.4 -75.7 -36.4 -0.6 0.1 -7.8 58 60 A S H >< S+ 0 0 2 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.901 110.3 52.7 -68.7 -41.8 0.8 -0.6 -11.2 59 61 A D H 3< S+ 0 0 84 -4,-2.7 3,-0.4 -5,-0.3 -2,-0.2 0.946 114.5 41.7 -61.7 -44.4 3.3 2.2 -11.0 60 62 A R T >X S+ 0 0 60 -4,-1.7 3,-1.3 1,-0.2 4,-1.0 0.067 71.8 123.8 -96.8 26.5 4.7 1.0 -7.7 61 63 A A H <> + 0 0 14 -3,-1.3 4,-3.0 1,-0.3 3,-0.3 0.798 69.0 64.2 -54.1 -31.2 4.8 -2.8 -8.4 62 64 A E H 3> S+ 0 0 122 -3,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.823 96.2 57.2 -62.9 -35.5 8.5 -2.9 -7.5 63 65 A E H <4 S+ 0 0 81 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.875 112.5 41.0 -62.2 -37.5 7.8 -1.8 -4.0 64 66 A F H ><>S+ 0 0 1 -4,-1.0 3,-1.8 -3,-0.3 5,-1.0 0.887 111.0 57.1 -77.4 -42.2 5.5 -4.9 -3.7 65 67 A K H ><5S+ 0 0 132 -4,-3.0 3,-2.1 1,-0.3 -2,-0.2 0.902 99.9 59.1 -47.8 -47.7 8.0 -7.0 -5.6 66 68 A K T 3<5S+ 0 0 185 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.550 105.5 51.5 -65.2 -6.6 10.6 -6.1 -2.9 67 69 A L T < 5S- 0 0 38 -3,-1.8 -31,-0.3 2,-0.1 -1,-0.3 0.068 118.2-107.0-120.4 22.0 8.3 -7.7 -0.3 68 70 A N T < 5S+ 0 0 100 -3,-2.1 -32,-1.8 1,-0.2 2,-0.3 0.947 78.6 135.6 54.7 53.1 7.7 -11.0 -2.0 69 71 A S E < -d 36 0B 3 -5,-1.0 2,-0.4 -34,-0.2 -32,-0.2 -0.943 47.5-150.7-137.3 152.5 4.2 -9.8 -2.9 70 72 A Q E -d 37 0B 39 -34,-2.0 -32,-1.3 -2,-0.3 2,-0.5 -0.969 9.7-151.7-132.4 115.1 1.9 -9.9 -5.9 71 73 A V E -d 38 0B 2 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.757 17.3-178.3 -85.9 123.5 -0.7 -7.2 -6.5 72 74 A I E -d 39 0B 0 -34,-2.5 -32,-2.5 -2,-0.5 2,-0.2 -0.996 7.1-161.6-121.8 132.0 -3.7 -8.5 -8.5 73 75 A G E -df 40 102B 0 28,-2.1 30,-3.8 -2,-0.4 2,-0.3 -0.636 10.4-174.5-105.2 167.4 -6.6 -6.2 -9.5 74 76 A A E +df 41 103B 1 -34,-1.4 -32,-1.7 28,-0.3 2,-0.3 -0.988 12.7 170.4-160.7 145.8 -10.1 -7.3 -10.6 75 77 A S E - 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