==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUN-07 2V41 . COMPND 2 MOLECULE: PEROXIREDOXIN 6.; . SOURCE 2 ORGANISM_SCIENTIFIC: ARENICOLA MARINA; . AUTHOR A.SMEETS,J.P.DECLERCQ . 1756 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1164 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 284 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 19 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 5 0.3 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 . 140 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 403 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.3 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 2 18 5 5 0 0 0 0 6 0 2 8 6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 8 1 0 7 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 . 12 43 4 9 0 8 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 . 13 0 9 0 0 0 0 0 1 0 3 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 2 A G 0 0 75 0, 0.0 2,-0.4 0, 0.0 109,-0.2 0.000 360.0 360.0 360.0 173.9 -34.0 28.5 -27.8 2 3 A I - 0 0 20 107,-0.5 2,-0.2 329,-0.0 3,-0.1 -0.988 360.0-154.6-129.7 125.9 -35.7 26.5 -30.5 3 4 A T > - 0 0 49 -2,-0.4 3,-1.4 1,-0.1 135,-0.3 -0.507 37.3 -81.7 -92.9 167.7 -39.3 25.2 -30.5 4 5 A L T 3 S+ 0 0 7 329,-0.4 135,-0.2 327,-0.3 -1,-0.1 -0.496 114.1 23.9 -73.3 142.4 -40.6 22.3 -32.4 5 6 A G T 3 S+ 0 0 22 133,-3.1 -1,-0.2 1,-0.3 2,-0.1 0.197 89.3 129.5 84.9 -10.9 -41.5 22.9 -36.0 6 7 A E S < S- 0 0 86 -3,-1.4 132,-1.9 1,-0.1 -1,-0.3 -0.497 70.3-104.7 -72.9 147.9 -39.2 25.9 -36.3 7 8 A V B -A 137 0A 88 130,-0.2 130,-0.3 -2,-0.1 129,-0.1 -0.555 41.9-118.8 -67.0 127.8 -36.8 26.0 -39.3 8 9 A F - 0 0 1 128,-3.3 15,-0.1 -2,-0.3 -1,-0.1 -0.540 39.0 -92.5 -70.0 139.2 -33.4 25.2 -37.8 9 10 A P - 0 0 25 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 -0.271 24.7-131.7 -60.0 137.6 -31.0 28.0 -38.3 10 11 A N + 0 0 61 12,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.577 45.5 178.6 -86.2 73.0 -28.8 27.9 -41.4 11 12 A F - 0 0 19 -2,-1.8 11,-3.1 10,-0.1 2,-0.4 -0.393 29.6-139.9 -81.5 150.0 -25.6 28.5 -39.5 12 13 A E E +B 21 0B 144 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.940 35.3 159.9-104.1 132.7 -22.0 28.8 -40.7 13 14 A A E -B 20 0B 10 7,-1.5 7,-2.1 -2,-0.4 87,-0.1 -0.979 39.3-113.7-146.5 151.6 -19.5 27.1 -38.3 14 15 A D E +C 99 0C 58 85,-0.7 85,-1.3 -2,-0.3 2,-0.3 -0.385 44.2 164.6 -76.4 168.7 -16.0 25.7 -38.5 15 16 A S E > -C 98 0C 2 83,-0.2 3,-1.6 -2,-0.1 83,-0.2 -0.967 56.2 -77.3-164.6-179.5 -15.5 21.9 -38.0 16 17 A T T 3 S+ 0 0 28 81,-1.2 82,-0.1 -2,-0.3 3,-0.1 0.586 133.8 44.2 -66.1 -12.2 -13.2 18.9 -38.4 17 18 A I T 3 S- 0 0 112 1,-0.4 -1,-0.2 80,-0.2 2,-0.1 0.136 122.6-102.7-111.6 19.8 -14.2 19.1 -42.1 18 19 A G S < S- 0 0 31 -3,-1.6 -1,-0.4 2,-0.0 -5,-0.1 -0.274 72.9 -9.6 85.8 178.9 -13.8 22.9 -42.6 19 20 A K - 0 0 165 -5,-0.1 2,-0.4 -3,-0.1 -5,-0.2 -0.184 67.2-161.9 -52.3 142.6 -16.5 25.7 -42.7 20 21 A L E -B 13 0B 9 -7,-2.1 -7,-1.5 4,-0.0 2,-0.5 -0.955 20.5-153.3-128.1 133.6 -20.0 24.3 -42.9 21 22 A K E >> -B 12 0B 68 -2,-0.4 4,-2.2 -9,-0.2 3,-0.5 -0.991 29.4-139.6-101.7 124.5 -23.2 26.0 -44.0 22 23 A F H 3> S+ 0 0 0 -11,-3.1 4,-2.2 -2,-0.5 5,-0.2 0.884 95.1 42.6 -62.0 -49.0 -25.7 23.9 -42.0 23 24 A H H 3> S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.786 115.8 52.6 -65.1 -29.3 -28.5 23.5 -44.5 24 25 A D H <4 S+ 0 0 125 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.847 111.6 44.4 -71.4 -39.7 -25.9 22.9 -47.3 25 26 A W H < S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.837 116.4 48.6 -70.1 -36.2 -24.1 20.1 -45.4 26 27 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.951 83.9 171.9 -70.9 -47.8 -27.5 18.6 -44.5 27 28 A G < - 0 0 28 -4,-2.5 2,-0.7 1,-0.2 -1,-0.2 -0.514 65.9 -27.8 70.3-141.7 -28.9 18.7 -48.0 28 29 A N S S+ 0 0 112 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.2 -0.478 112.3 100.0-104.0 63.4 -32.2 16.9 -48.3 29 30 A S S S- 0 0 6 -2,-0.7 107,-0.1 104,-0.2 34,-0.1 -0.990 76.5 -97.7-152.7 145.5 -31.8 14.4 -45.5 30 31 A W E -d 63 0C 12 32,-0.7 34,-2.5 -2,-0.3 2,-0.3 -0.226 45.6-172.6 -56.2 148.1 -32.7 13.8 -41.9 31 32 A G E -dE 64 132C 1 101,-2.5 101,-2.5 32,-0.3 2,-0.4 -0.990 23.3-149.7-146.8 157.3 -30.0 14.8 -39.4 32 33 A V E -dE 65 131C 1 32,-2.4 34,-2.2 -2,-0.3 2,-0.5 -1.000 12.6-167.0-123.3 119.4 -29.2 14.6 -35.7 33 34 A L E +dE 66 130C 2 97,-2.5 97,-2.6 -2,-0.4 2,-0.4 -0.942 14.7 178.8-105.4 126.5 -27.1 17.4 -34.2 34 35 A F E -dE 67 129C 1 32,-2.4 34,-0.9 -2,-0.5 2,-0.3 -0.982 11.8-154.0-137.7 143.2 -25.8 16.5 -30.8 35 36 A S E -d 68 0C 1 93,-2.1 34,-0.2 -2,-0.4 32,-0.0 -0.741 5.0-166.2-114.5 160.1 -23.7 18.5 -28.4 36 37 A H - 0 0 0 32,-2.5 89,-0.4 -2,-0.3 34,-0.3 -0.981 28.2-120.1-143.5 153.5 -21.3 17.6 -25.5 37 38 A P S S- 0 0 7 0, 0.0 33,-0.5 0, 0.0 88,-0.4 0.912 81.4 -19.2 -58.6 -44.6 -19.8 19.8 -22.8 38 39 A R - 0 0 93 31,-0.1 3,-0.4 86,-0.1 6,-0.2 -0.968 62.6-110.0-169.0 137.4 -16.1 19.4 -23.5 39 40 A D S S+ 0 0 4 -2,-0.3 37,-0.1 1,-0.2 36,-0.0 -0.322 98.1 39.3 -64.6 162.2 -13.6 17.2 -25.3 40 41 A F S S+ 0 0 27 1,-0.3 -1,-0.2 35,-0.1 392,-0.0 0.786 88.1 123.6 63.5 32.6 -11.2 15.0 -23.3 41 42 A T > - 0 0 18 -3,-0.4 4,-1.3 1,-0.1 -1,-0.3 -0.933 65.8-123.3-125.0 148.7 -13.9 14.2 -20.7 42 43 A P H > S+ 0 0 4 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.872 103.4 40.8 -64.9 -54.8 -15.0 10.7 -19.8 43 44 A V H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 352,-0.4 0.912 112.9 56.6 -59.2 -44.2 -18.8 10.5 -20.4 44 45 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 107.3 49.7 -58.0 -34.8 -18.5 12.5 -23.7 45 46 A T H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.860 108.6 51.1 -72.9 -39.3 -16.0 9.9 -25.0 46 47 A T H X S+ 0 0 15 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.936 114.4 44.7 -63.6 -43.1 -18.3 7.0 -24.1 47 48 A E H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.914 114.5 45.8 -71.3 -43.0 -21.2 8.7 -26.0 48 49 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.850 113.6 51.8 -68.5 -29.0 -19.2 9.7 -29.1 49 50 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.885 108.5 50.6 -70.9 -37.7 -17.7 6.2 -29.1 50 51 A R H X S+ 0 0 40 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.810 105.8 55.6 -68.0 -35.7 -21.2 4.7 -29.0 51 52 A V H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.920 106.3 50.7 -59.4 -44.8 -22.3 6.9 -31.9 52 53 A I H >< S+ 0 0 11 -4,-1.6 3,-1.1 1,-0.2 4,-0.3 0.927 109.8 51.3 -56.6 -45.5 -19.4 5.5 -34.0 53 54 A Q H 3< S+ 0 0 54 -4,-1.9 479,-0.3 1,-0.2 3,-0.2 0.811 117.9 39.1 -58.9 -31.5 -20.6 1.9 -33.0 54 55 A L H >X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.2 3,-1.2 0.379 81.7 106.2 -99.3 2.5 -24.1 2.9 -34.1 55 56 A E H S+ 0 0 19 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.3 0.851 105.2 55.5 -57.3 -35.1 -24.4 2.2 -39.6 57 58 A D H <> S+ 0 0 17 -3,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.921 111.3 43.0 -67.9 -42.7 -27.8 2.3 -37.8 58 59 A F H ><>S+ 0 0 1 -4,-1.7 5,-2.3 -7,-0.2 3,-0.9 0.902 111.4 54.4 -65.1 -43.2 -28.1 5.9 -38.5 59 60 A K H ><5S+ 0 0 62 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.890 103.2 57.3 -56.7 -45.6 -26.9 5.5 -42.1 60 61 A K H 3<5S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.699 110.1 44.4 -55.0 -26.8 -29.7 2.8 -42.7 61 62 A R T <<5S- 0 0 42 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.326 118.2-113.2-103.5 2.4 -32.3 5.4 -41.7 62 63 A G T < 5 + 0 0 16 -3,-1.4 -32,-0.7 -4,-0.3 2,-0.5 0.829 63.0 152.4 70.8 36.3 -30.7 8.1 -43.8 63 64 A V E < -d 30 0C 10 -5,-2.3 2,-0.4 -34,-0.1 -32,-0.3 -0.883 37.0-146.8-104.6 117.2 -29.7 10.3 -40.8 64 65 A K E -d 31 0C 77 -34,-2.5 -32,-2.4 -2,-0.5 2,-0.4 -0.684 20.8-143.6 -76.8 134.4 -26.6 12.5 -41.2 65 66 A L E +d 32 0C 14 -2,-0.4 2,-0.3 29,-0.3 -32,-0.2 -0.830 21.4 176.6-106.2 141.7 -24.8 12.8 -37.8 66 67 A I E -d 33 0C 0 -34,-2.2 -32,-2.4 -2,-0.4 31,-0.2 -0.957 10.5-158.6-147.3 125.2 -23.1 15.9 -36.5 67 68 A A E -df 34 97C 0 29,-3.2 31,-3.2 -2,-0.3 2,-0.3 -0.571 10.1-167.1 -93.3 164.7 -21.4 16.6 -33.1 68 69 A L E +df 35 98C 0 -34,-0.9 -32,-2.5 29,-0.3 2,-0.3 -0.956 17.2 153.8-155.4 132.6 -20.7 19.9 -31.3 69 70 A S E - 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0 0 61 -5,-0.4 -1,-0.3 -40,-0.1 2,-0.3 -0.730 56.0-145.2 -94.0 128.3 -14.1 0.4 -34.5 90 91 A K + 0 0 134 -2,-0.4 2,-0.2 -3,-0.1 -5,-0.0 -0.676 54.4 57.7 -88.0 152.2 -11.1 1.2 -36.8 91 92 A G S S- 0 0 49 -2,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.512 85.6 -31.3 119.3-179.6 -11.4 3.8 -39.5 92 93 A D S S- 0 0 104 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.387 70.6 -86.4 -78.4 141.6 -12.1 7.5 -40.0 93 94 A M - 0 0 42 1,-0.2 -1,-0.2 -2,-0.1 -12,-0.0 -0.191 37.3-155.1 -38.0 117.7 -14.4 9.6 -37.9 94 95 A P S S+ 0 0 54 0, 0.0 -29,-0.3 0, 0.0 -1,-0.2 0.153 71.4 42.9 -86.2 9.9 -17.8 9.0 -39.6 95 96 A Y S S- 0 0 7 -31,-0.1 2,-0.2 -29,-0.0 -29,-0.2 -0.987 81.5-113.7-152.6 149.0 -19.2 12.3 -38.4 96 97 A P - 0 0 12 0, 0.0 -29,-3.2 0, 0.0 2,-0.5 -0.590 17.6-144.5 -78.3 154.3 -18.1 15.9 -38.1 97 98 A I E - f 0 67C 0 -2,-0.2 -81,-1.2 -31,-0.2 2,-0.3 -0.985 16.9-139.8-115.7 126.0 -17.6 17.9 -34.9 98 99 A I E -Cf 15 68C 0 -31,-3.2 -29,-1.9 -2,-0.5 2,-0.7 -0.629 4.9-139.2 -84.2 136.3 -18.5 21.6 -34.9 99 100 A A E +Cf 14 69C 10 -85,-1.3 -85,-0.7 -2,-0.3 -29,-0.2 -0.883 20.4 178.4 -89.7 114.9 -16.4 24.2 -33.1 100 101 A D > + 0 0 5 -31,-2.0 3,-2.1 -2,-0.7 6,-0.2 -0.388 21.0 150.9-113.4 53.2 -18.8 26.7 -31.3 101 102 A E T 3 + 0 0 102 1,-0.3 -1,-0.2 -30,-0.2 -31,-0.1 0.757 69.2 53.0 -58.9 -34.8 -16.0 28.7 -29.8 102 103 A T T 3 S- 0 0 102 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.573 103.9-130.8 -72.2 -11.9 -18.0 32.0 -29.8 103 104 A R <> + 0 0 38 -3,-2.1 4,-1.4 19,-0.0 5,-0.2 0.671 69.7 129.0 59.3 22.2 -20.8 30.2 -27.9 104 105 A E H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.878 74.8 40.5 -76.5 -29.0 -23.3 31.6 -30.4 105 106 A L H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 6,-0.3 0.893 110.1 60.0 -79.5 -42.4 -24.9 28.3 -31.2 106 107 A A H 4>S+ 0 0 0 -6,-0.2 5,-1.6 1,-0.2 6,-0.3 0.866 115.9 34.4 -43.0 -42.6 -24.8 27.3 -27.5 107 108 A V H ><5S+ 0 0 94 -4,-1.4 3,-0.6 2,-0.2 -2,-0.2 0.879 116.4 52.3 -90.0 -42.2 -27.0 30.3 -26.8 108 109 A K H 3<5S+ 0 0 128 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.838 112.9 46.7 -61.4 -37.5 -29.1 30.3 -29.9 109 110 A L T 3<5S- 0 0 4 -4,-2.8 -107,-0.5 -5,-0.1 -1,-0.2 0.526 109.4-120.9 -88.9 -5.0 -30.0 26.7 -29.4 110 111 A G T < 5S+ 0 0 10 -3,-0.6 115,-0.4 -4,-0.3 -3,-0.2 0.779 74.3 125.3 72.3 32.8 -30.9 27.0 -25.7 111 112 A M < + 0 0 1 -5,-1.6 15,-2.1 -6,-0.3 2,-0.2 -0.069 19.2 139.4-120.9 30.3 -28.2 24.4 -24.8 112 113 A V E -N 125 0D 45 -6,-0.3 113,-0.3 13,-0.2 13,-0.3 -0.525 56.6-117.8 -68.1 137.6 -25.9 26.1 -22.2 113 114 A D E - 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