==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 23-MAY-13 4KW6 . COMPND 2 MOLECULE: PEROXIREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ANCYLOSTOMA CEYLANICUM; . AUTHOR J.B.NGUYEN,Y.MODIS . 856 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 17.8 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 . 59 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 20.8 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 1 9 0 5 5 0 0 0 0 0 0 4 1 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 . 5 10 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 . 5 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 0 A H 0 0 122 0, 0.0 2,-0.2 0, 0.0 112,-0.0 0.000 360.0 360.0 360.0 125.6 -6.5 -50.4 72.8 2 1 A M - 0 0 155 1,-0.1 113,-0.1 111,-0.0 2,-0.1 -0.804 360.0 -68.8-129.9 175.9 -3.5 -50.4 75.2 3 2 A S - 0 0 51 -2,-0.2 111,-0.2 1,-0.1 110,-0.2 -0.332 27.7-173.6 -69.3 142.7 -2.3 -52.3 78.2 4 3 A K + 0 0 130 109,-2.9 2,-0.7 108,-0.2 110,-0.2 0.301 52.0 112.7-111.7 4.1 -4.0 -51.9 81.6 5 4 A A + 0 0 9 108,-0.5 2,-0.4 6,-0.1 6,-0.1 -0.717 37.6 162.1 -88.8 113.8 -1.5 -54.1 83.5 6 5 A F > - 0 0 125 -2,-0.7 3,-0.8 4,-0.2 131,-0.4 -0.989 39.6-114.9-131.8 143.0 0.7 -52.2 86.0 7 6 A I T 3 S+ 0 0 17 -2,-0.4 131,-0.2 1,-0.2 309,-0.0 -0.575 103.0 16.7 -74.2 131.5 2.8 -53.3 89.0 8 7 A G T 3 S+ 0 0 39 129,-2.4 -1,-0.2 1,-0.4 130,-0.1 0.106 109.8 96.6 91.6 -20.4 1.5 -52.1 92.3 9 8 A K S < S- 0 0 133 -3,-0.8 128,-2.4 1,-0.1 -1,-0.4 -0.595 93.4 -78.4 -94.0 158.3 -1.8 -51.2 90.8 10 9 A P B -A 136 0A 90 0, 0.0 126,-0.3 0, 0.0 -4,-0.2 -0.408 56.0-109.2 -55.6 127.7 -4.9 -53.4 90.9 11 10 A A - 0 0 9 124,-1.6 -6,-0.1 1,-0.1 103,-0.1 -0.263 45.0 -84.6 -53.8 142.0 -4.6 -56.2 88.3 12 11 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.253 49.1-117.3 -55.1 133.1 -7.0 -55.9 85.2 13 12 A D - 0 0 110 -3,-0.1 2,-0.3 16,-0.0 100,-0.1 -0.457 35.5-173.8 -74.9 143.1 -10.4 -57.4 85.9 14 13 A F + 0 0 5 -2,-0.1 15,-1.5 2,-0.0 2,-0.3 -0.996 17.9 176.4-140.5 147.3 -11.6 -60.4 83.9 15 14 A A E +B 28 0B 72 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.892 25.8 134.5-149.1 116.6 -14.7 -62.5 83.4 16 15 A T E -B 27 0B 27 11,-1.8 11,-2.8 -2,-0.3 2,-0.2 -0.952 53.4 -87.5-150.6 169.1 -15.0 -65.3 80.9 17 16 A K E +B 26 0B 108 87,-0.3 87,-2.3 -2,-0.3 2,-0.3 -0.563 48.0 177.2 -76.0 146.2 -16.2 -68.9 80.3 18 17 A A E -BC 25 103B 0 7,-2.6 7,-2.6 85,-0.2 2,-0.6 -0.930 31.9-113.6-145.9 167.6 -13.6 -71.6 81.0 19 18 A V E +BC 24 102B 2 83,-1.8 83,-1.4 -2,-0.3 2,-0.4 -0.923 38.7 164.5-112.3 109.3 -13.3 -75.4 81.1 20 19 A F E > -B 23 0B 93 3,-2.0 3,-1.4 -2,-0.6 79,-0.1 -0.994 69.9 -10.2-126.4 129.1 -12.8 -76.9 84.5 21 20 A D T 3 S- 0 0 130 77,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.773 128.7 -55.7 54.3 32.4 -13.2 -80.6 85.3 22 21 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 76,-0.1 -1,-0.3 0.621 117.8 98.1 80.8 16.0 -14.7 -81.2 81.9 23 22 A D E < S-B 20 0B 108 -3,-1.4 -3,-2.0 0, 0.0 2,-0.5 -0.917 77.2-106.6-130.7 156.7 -17.5 -78.7 82.2 24 23 A F E +B 19 0B 87 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.730 46.6 170.8 -81.4 128.3 -18.1 -75.1 81.1 25 24 A V E -B 18 0B 56 -7,-2.6 -7,-2.6 -2,-0.5 2,-0.5 -0.935 34.6-112.5-136.6 159.8 -17.9 -72.6 84.1 26 25 A D E -B 17 0B 106 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.820 31.6-163.5 -95.7 128.9 -17.9 -68.9 84.7 27 26 A V E +B 16 0B 7 -11,-2.8 -11,-1.8 -2,-0.5 2,-0.3 -0.948 11.1 175.3-120.8 129.8 -14.6 -67.4 86.0 28 27 A K E > -B 15 0B 99 -2,-0.4 3,-0.7 -13,-0.2 -13,-0.2 -0.944 35.2-133.9-126.5 149.7 -14.1 -64.0 87.6 29 28 A L G > S+ 0 0 19 -15,-1.5 3,-2.1 -2,-0.3 -1,-0.1 0.850 107.8 65.0 -66.2 -37.1 -11.0 -62.5 89.2 30 29 A S G > S+ 0 0 68 -16,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.691 87.0 73.4 -57.5 -20.7 -13.2 -61.4 92.1 31 30 A D G < S+ 0 0 76 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.666 95.8 49.2 -67.3 -18.3 -13.6 -65.1 92.8 32 31 A Y G X S+ 0 0 41 -3,-2.1 3,-1.9 -4,-0.1 -1,-0.2 0.030 73.2 144.0-116.3 25.8 -10.1 -65.3 94.1 33 32 A K T < S+ 0 0 160 -3,-1.2 101,-0.2 1,-0.3 3,-0.1 -0.498 72.4 29.3 -64.0 128.1 -10.1 -62.4 96.5 34 33 A G T 3 S+ 0 0 49 99,-2.3 2,-0.3 1,-0.3 -1,-0.3 0.383 111.4 85.7 96.2 -0.9 -8.0 -63.4 99.5 35 34 A K S < S- 0 0 87 -3,-1.9 2,-0.3 98,-0.3 -1,-0.3 -0.932 81.4-110.5-128.0 153.0 -5.8 -65.7 97.4 36 35 A Y E -d 69 0B 7 32,-0.9 34,-2.3 -2,-0.3 2,-0.4 -0.669 37.3-155.8 -76.5 135.5 -2.7 -65.4 95.3 37 36 A V E -dE 70 131B 2 94,-3.1 94,-3.0 -2,-0.3 2,-0.6 -0.968 13.4-162.6-123.1 129.4 -3.5 -65.9 91.6 38 37 A V E -dE 71 130B 1 32,-2.7 34,-3.3 -2,-0.4 2,-0.5 -0.952 12.4-174.9-108.2 114.2 -1.2 -67.0 88.8 39 38 A L E +dE 72 129B 0 90,-2.5 90,-2.8 -2,-0.6 2,-0.4 -0.956 5.6 179.8-111.9 119.0 -2.6 -66.3 85.3 40 39 A F E -dE 73 128B 0 32,-2.9 34,-1.3 -2,-0.5 2,-0.3 -0.934 13.1-147.0-122.8 147.7 -0.7 -67.5 82.3 41 40 A F E -d 74 0B 1 86,-3.0 34,-0.2 -2,-0.4 32,-0.0 -0.783 10.0-172.6-111.2 149.3 -1.4 -67.3 78.6 42 41 A Y - 0 0 2 32,-2.5 82,-0.5 -2,-0.3 34,-0.4 -0.973 23.9-127.1-137.4 155.3 -0.7 -69.6 75.7 43 42 A P S S- 0 0 14 0, 0.0 33,-0.6 0, 0.0 81,-0.5 0.987 70.8 -1.3 -67.8 -66.1 -1.0 -69.1 71.9 44 43 A L > - 0 0 66 31,-0.1 3,-0.5 79,-0.1 2,-0.2 -0.933 53.2-122.8-139.4 150.4 -3.1 -71.9 70.3 45 44 A D T 3 S+ 0 0 12 -2,-0.3 37,-0.1 1,-0.2 49,-0.0 -0.590 95.0 22.1 -80.7 149.9 -5.1 -75.1 70.8 46 45 A F T 3 S+ 0 0 96 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.784 81.6 164.5 63.2 32.5 -4.1 -78.2 68.8 47 46 A T < - 0 0 46 -3,-0.5 -1,-0.2 2,-0.2 0, 0.0 -0.497 47.0-127.0 -74.7 149.1 -0.5 -77.0 68.1 48 47 A F S S+ 0 0 200 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.730 88.6 92.7 -71.0 -20.4 2.0 -79.6 66.9 49 48 A V S S- 0 0 38 1,-0.1 -2,-0.2 295,-0.1 295,-0.1 -0.553 94.4-101.2 -69.6 134.6 4.3 -78.5 69.7 50 49 A C > - 0 0 51 -2,-0.2 3,-0.5 1,-0.1 4,-0.1 -0.350 19.8-140.4 -55.9 128.5 3.8 -80.6 72.9 51 50 A P T >> + 0 0 10 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.003 64.2 126.9 -80.4 32.4 1.7 -78.7 75.5 52 51 A T H 3> + 0 0 92 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.814 67.4 56.7 -61.3 -34.6 4.1 -80.0 78.2 53 52 A E H <> S+ 0 0 27 -3,-0.5 4,-0.7 2,-0.2 -1,-0.3 0.870 112.6 41.0 -60.4 -41.8 4.7 -76.5 79.5 54 53 A I H X> S+ 0 0 6 -3,-0.5 4,-1.1 2,-0.2 3,-0.6 0.896 113.8 53.9 -72.6 -42.9 0.9 -76.2 80.0 55 54 A I H 3X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.2 3,-0.5 0.870 99.5 62.3 -57.9 -41.6 0.7 -79.8 81.3 56 55 A A H 3X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.815 102.2 50.4 -58.5 -34.8 3.4 -79.1 84.0 57 56 A F H << S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.811 112.5 47.4 -72.6 -31.6 1.2 -76.4 85.6 58 57 A S H >< S+ 0 0 0 -4,-1.1 3,-1.1 -3,-0.5 -2,-0.2 0.907 113.2 47.1 -72.8 -46.2 -1.7 -78.8 85.8 59 58 A D H 3< S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.865 115.5 44.2 -64.3 -39.6 0.3 -81.7 87.2 60 59 A R T >X S+ 0 0 72 -4,-1.6 3,-1.0 -5,-0.2 4,-0.7 0.095 78.7 111.2 -99.2 21.9 2.0 -79.7 89.9 61 60 A F H X> + 0 0 41 -3,-1.1 4,-2.8 1,-0.2 3,-0.6 0.838 64.8 68.6 -64.3 -37.0 -1.1 -77.8 91.0 62 61 A P H 3> S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.759 97.2 56.1 -54.4 -21.6 -1.2 -79.6 94.4 63 62 A E H <> S+ 0 0 82 -3,-1.0 4,-0.7 2,-0.2 -2,-0.2 0.858 109.6 43.7 -73.5 -38.4 2.0 -77.7 95.1 64 63 A F H <<>S+ 0 0 0 -4,-0.7 5,-2.6 -3,-0.6 3,-0.3 0.850 111.6 53.7 -72.1 -37.2 0.1 -74.4 94.4 65 64 A K H ><5S+ 0 0 152 -4,-2.8 3,-1.5 3,-0.2 -2,-0.2 0.857 103.1 57.9 -65.2 -37.4 -2.9 -75.6 96.4 66 65 A N H 3<5S+ 0 0 133 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 109.6 44.4 -58.8 -32.4 -0.6 -76.3 99.3 67 66 A L T 3<5S- 0 0 37 -4,-0.7 -1,-0.3 -3,-0.3 -31,-0.2 0.187 120.8-111.1 -98.0 14.2 0.4 -72.6 99.2 68 67 A N T < 5 + 0 0 92 -3,-1.5 -32,-0.9 1,-0.2 2,-0.4 0.914 69.3 147.2 54.1 50.8 -3.3 -71.5 98.7 69 68 A V E < -d 36 0B 5 -5,-2.6 2,-0.3 -8,-0.2 -1,-0.2 -0.962 41.1-144.8-122.3 130.1 -2.6 -70.4 95.1 70 69 A A E -d 37 0B 11 -34,-2.3 -32,-2.7 -2,-0.4 2,-0.5 -0.703 12.0-155.8 -88.6 143.6 -5.0 -70.5 92.2 71 70 A V E -d 38 0B 2 -2,-0.3 2,-0.5 -34,-0.2 -32,-0.2 -0.977 9.8-173.2-126.5 120.2 -3.6 -71.2 88.7 72 71 A L E -d 39 0B 1 -34,-3.3 -32,-2.9 -2,-0.5 2,-0.3 -0.952 6.9-161.0-120.3 125.8 -5.4 -70.0 85.5 73 72 A A E -df 40 102B 0 28,-2.3 30,-3.9 -2,-0.5 2,-0.3 -0.763 17.0-178.9 -99.4 148.7 -4.6 -70.9 81.9 74 73 A C E +df 41 103B 0 -34,-1.3 -32,-2.5 -2,-0.3 2,-0.3 -0.999 14.7 159.2-152.2 147.1 -5.8 -68.8 79.0 75 74 A S E - f 0 104B 0 28,-1.6 30,-2.7 -2,-0.3 -31,-0.1 -0.961 49.7-103.7-155.3 169.4 -5.9 -68.5 75.1 76 75 A T S S+ 0 0 15 -33,-0.6 2,-0.2 -34,-0.4 28,-0.1 0.173 86.6 104.8 -86.5 19.7 -7.9 -66.8 72.4 77 76 A D S S- 0 0 29 26,-0.2 28,-0.5 1,-0.1 29,-0.3 -0.494 76.7 -96.0 -89.6 166.3 -9.5 -70.2 71.4 78 77 A S > - 0 0 42 -2,-0.2 4,-2.0 26,-0.1 -1,-0.1 -0.275 23.2-116.1 -77.8 166.1 -13.1 -71.2 72.2 79 78 A V H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.811 120.3 56.8 -66.0 -33.1 -14.3 -73.3 75.2 80 79 A F H > S+ 0 0 150 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.817 108.1 47.0 -65.5 -34.6 -15.4 -75.8 72.5 81 80 A S H > S+ 0 0 25 2,-0.2 4,-1.8 3,-0.1 -2,-0.2 0.884 112.0 50.8 -72.5 -40.7 -11.9 -75.9 71.3 82 81 A H H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 111.2 46.3 -59.4 -52.9 -10.6 -76.3 74.9 83 82 A L H X S+ 0 0 42 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.851 111.3 53.7 -60.4 -37.6 -12.9 -79.2 75.8 84 83 A A H X S+ 0 0 43 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.875 112.2 43.9 -62.5 -40.2 -12.0 -80.8 72.5 85 84 A W H < S+ 0 0 2 -4,-1.8 10,-2.2 2,-0.2 11,-0.8 0.830 112.4 51.6 -77.1 -34.0 -8.3 -80.6 73.3 86 85 A I H < S+ 0 0 14 -4,-2.5 10,-0.3 9,-0.2 -2,-0.2 0.885 108.3 52.6 -65.9 -40.8 -8.8 -81.7 76.9 87 86 A N H < S+ 0 0 110 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.657 91.0 91.8 -70.8 -18.5 -10.7 -84.8 75.6 88 87 A T S < S- 0 0 36 -4,-0.6 8,-1.4 -3,-0.1 7,-0.2 -0.692 88.0-116.3 -75.2 124.3 -7.8 -85.6 73.3 89 88 A P > > - 0 0 72 0, 0.0 3,-1.7 0, 0.0 5,-1.7 -0.285 15.1-121.0 -61.8 148.8 -5.4 -88.0 75.2 90 89 A R G > 5S+ 0 0 98 1,-0.3 3,-1.2 3,-0.2 -2,-0.0 0.730 113.3 65.2 -62.7 -25.5 -1.9 -86.8 75.9 91 90 A K G 3 5S+ 0 0 200 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.727 104.1 46.2 -65.5 -25.6 -0.6 -89.7 73.9 92 91 A H G < 5S- 0 0 150 -3,-1.7 -1,-0.2 0, 0.0 -2,-0.2 -0.079 132.5 -88.5-109.1 30.2 -2.2 -88.1 70.8 93 92 A G T < 5S+ 0 0 39 -3,-1.2 -3,-0.2 1,-0.2 2,-0.1 0.772 88.2 128.4 71.7 28.9 -0.9 -84.6 71.5 94 93 A G < - 0 0 1 -5,-1.7 -1,-0.2 -8,-0.1 -8,-0.2 -0.374 69.0-113.7-100.8-176.2 -3.8 -83.5 73.7 95 94 A L - 0 0 1 -10,-2.2 -9,-0.2 -7,-0.2 -5,-0.1 0.755 43.6-166.8 -87.2 -28.6 -4.0 -81.9 77.2 96 95 A G - 0 0 10 -8,-1.4 2,-0.2 -11,-0.8 -1,-0.2 -0.429 54.9 -1.5 70.8-150.9 -5.7 -84.9 78.9 97 96 A D S S- 0 0 143 -2,-0.1 2,-0.5 -10,-0.1 -39,-0.0 -0.526 72.1-152.4 -72.2 136.1 -7.2 -84.3 82.4 98 97 A M - 0 0 16 -2,-0.2 -77,-0.7 1,-0.1 -76,-0.1 -0.954 20.5-170.4-119.8 122.2 -6.7 -80.7 83.7 99 98 A K S S+ 0 0 109 -2,-0.5 -1,-0.1 -79,-0.1 -41,-0.0 0.543 77.5 61.7 -80.3 -9.9 -6.5 -79.8 87.4 100 99 A I S S- 0 0 0 -81,-0.1 -79,-0.2 -30,-0.1 2,-0.2 -0.831 92.2-102.2-117.3 153.6 -6.6 -76.1 86.4 101 100 A P - 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