==== 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 05-MAY-07 2YZH . COMPND 2 MOLECULE: PROBABLE THIOL PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR A.EBIHARA,M.MANZOKU,Y.FUJIMOTO,S.YOKOYAMA,S.KURAMITSU,RIKEN . 681 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 18.8 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 . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 0 1 4 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 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 . 12 4 0 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 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 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 65 0, 0.0 2,-0.3 0, 0.0 148,-0.3 0.000 360.0 360.0 360.0 150.9 15.7 -0.5 19.4 2 -1 A H - 0 0 149 148,-0.2 148,-2.5 145,-0.1 2,-0.3 -0.946 360.0-152.5-129.5 148.6 16.6 -0.0 15.7 3 1 A M + 0 0 18 -2,-0.3 2,-0.3 146,-0.2 17,-0.1 -0.875 18.8 166.3-118.8 152.3 19.8 1.3 14.0 4 2 A A - 0 0 32 -2,-0.3 17,-0.1 116,-0.1 3,-0.0 -0.884 44.5-114.2-150.8-179.7 20.2 3.0 10.6 5 3 A R S S+ 0 0 112 -2,-0.3 11,-2.8 15,-0.1 2,-0.3 0.348 96.3 40.5-104.6 2.9 22.5 4.9 8.4 6 4 A T E -A 15 0A 63 9,-0.2 2,-0.3 117,-0.0 9,-0.2 -0.976 58.4-167.2-146.8 158.0 20.5 8.1 8.4 7 5 A V E -A 14 0A 2 7,-2.1 7,-3.0 -2,-0.3 2,-0.3 -0.937 25.2-116.3-139.4 159.4 18.4 10.2 10.7 8 6 A N E -Ab 13 153A 44 144,-3.0 146,-2.4 -2,-0.3 2,-0.6 -0.762 8.1-155.8-103.6 149.6 15.9 13.0 10.1 9 7 A L E > S-A 12 0A 56 3,-2.6 3,-1.6 -2,-0.3 144,-0.1 -0.955 91.3 -25.4-119.3 101.3 16.1 16.6 11.1 10 8 A K T 3 S- 0 0 164 -2,-0.6 -1,-0.1 1,-0.3 143,-0.1 0.918 130.0 -46.7 57.0 45.2 12.5 17.8 11.1 11 9 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 141,-0.1 142,-0.0 0.362 115.7 116.3 81.8 -7.0 11.6 15.1 8.6 12 10 A N E < -A 9 0A 114 -3,-1.6 -3,-2.6 1,-0.0 -1,-0.2 -0.870 67.3-120.8-100.6 120.7 14.6 15.8 6.3 13 11 A P E -A 8 0A 85 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.283 27.1-174.3 -62.9 135.5 17.1 13.0 6.0 14 12 A V E -A 7 0A 18 -7,-3.0 -7,-2.1 -2,-0.1 2,-0.1 -0.998 22.9-125.7-132.2 127.1 20.8 13.4 7.0 15 13 A T E -A 6 0A 20 -2,-0.4 109,-2.6 -9,-0.2 110,-0.5 -0.423 18.5-142.7 -75.6 147.3 23.4 10.7 6.4 16 14 A L B -C 123 0B 6 -11,-2.8 2,-0.3 107,-0.2 107,-0.2 -0.728 20.7-109.2-106.2 156.6 25.6 9.3 9.1 17 15 A V - 0 0 11 105,-3.0 105,-0.4 -2,-0.3 450,-0.2 -0.636 56.6 -82.6 -83.3 141.3 29.2 8.3 8.9 18 16 A G S S+ 0 0 5 448,-3.3 102,-0.2 -2,-0.3 101,-0.1 -0.170 81.7 77.0 -74.4 176.4 29.8 4.5 9.1 19 17 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.548 56.9-143.1 -89.5 164.2 30.1 1.9 10.4 20 18 A E - 0 0 70 -2,-0.1 2,-0.3 -17,-0.1 100,-0.2 -0.755 16.8-143.3 -87.0 123.0 26.7 0.8 11.6 21 19 A L - 0 0 12 -2,-0.5 2,-0.3 98,-0.5 98,-0.1 -0.691 19.2-169.9 -88.0 140.5 26.9 -1.0 14.9 22 20 A K > - 0 0 135 -2,-0.3 3,-2.2 4,-0.1 123,-0.3 -0.894 35.2 -84.3-129.1 157.9 24.6 -4.0 15.5 23 21 A V T 3 S+ 0 0 92 -2,-0.3 123,-0.2 1,-0.3 3,-0.1 -0.381 117.3 36.2 -59.0 133.1 23.6 -6.1 18.5 24 22 A G T 3 S+ 0 0 50 121,-3.0 -1,-0.3 1,-0.5 122,-0.1 0.060 89.5 117.2 109.4 -24.3 26.3 -8.8 18.9 25 23 A D S < S- 0 0 45 -3,-2.2 120,-3.5 120,-0.1 -1,-0.5 -0.358 76.2-101.7 -72.9 156.3 29.2 -6.6 17.8 26 24 A R B -D 144 0C 163 118,-0.2 118,-0.3 -3,-0.1 -1,-0.1 -0.628 40.9-112.7 -78.1 138.7 32.0 -5.8 20.3 27 25 A A - 0 0 5 116,-3.1 17,-1.9 -2,-0.3 -1,-0.1 -0.630 31.1-129.4 -76.0 114.3 31.5 -2.4 21.7 28 26 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 16,-0.1 -0.261 22.9-113.9 -61.5 149.8 34.4 -0.1 20.5 29 27 A E - 0 0 38 14,-0.2 2,-0.5 12,-0.0 14,-0.2 -0.680 27.9-163.1 -87.0 139.5 36.2 1.8 23.2 30 28 A A E -E 42 0D 0 12,-2.6 12,-2.4 -2,-0.3 2,-0.9 -0.995 12.6-144.1-124.8 125.7 35.9 5.6 23.2 31 29 A V E +E 41 0D 15 -2,-0.5 82,-0.4 10,-0.2 84,-0.3 -0.813 34.4 173.2 -90.6 105.3 38.3 7.7 25.1 32 30 A V E -E 40 0D 0 8,-2.9 8,-2.7 -2,-0.9 2,-0.5 -0.636 28.3-121.5-112.6 170.4 36.2 10.6 26.4 33 31 A V E -EF 39 109D 0 76,-2.5 76,-2.8 6,-0.2 6,-0.2 -0.949 19.3-147.2-120.0 125.4 36.8 13.5 28.7 34 32 A T E > - F 0 108D 16 4,-2.6 3,-2.6 -2,-0.5 74,-0.2 -0.263 37.6 -94.2 -81.4 170.7 34.8 14.3 31.9 35 33 A K T 3 S+ 0 0 84 72,-0.6 59,-0.1 1,-0.3 -1,-0.1 0.668 126.5 57.5 -59.8 -18.0 34.0 17.7 33.3 36 34 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 58,-0.0 3,-0.1 0.335 118.9-112.9 -92.4 5.2 37.1 17.5 35.5 37 35 A L S < S+ 0 0 43 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.597 74.3 133.8 73.8 13.9 39.2 17.0 32.4 38 36 A Q - 0 0 127 1,-0.0 -4,-2.6 0, 0.0 2,-0.4 -0.597 58.0-115.2 -88.9 156.4 40.2 13.5 33.2 39 37 A E E -E 33 0D 84 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.762 31.2-172.8 -96.6 141.1 39.9 10.8 30.5 40 38 A K E -E 32 0D 45 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.6 -0.958 18.1-134.4-130.1 147.0 37.4 8.0 30.8 41 39 A I E -E 31 0D 51 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.912 21.2-175.7-106.5 120.9 37.0 4.9 28.7 42 40 A V E +E 30 0D 0 -12,-2.4 -12,-2.6 -2,-0.6 2,-0.1 -0.820 52.5 29.0-109.0 154.0 33.5 3.9 27.6 43 41 A G S S+ 0 0 0 -2,-0.3 -14,-0.2 -14,-0.2 101,-0.1 -0.381 77.2 82.8 92.0-175.0 32.8 0.7 25.7 44 42 A G S S- 0 0 8 -17,-1.9 2,-0.5 99,-0.3 99,-0.2 -0.139 95.3 -42.3 67.8-173.2 34.7 -2.5 25.7 45 43 A A + 0 0 66 97,-0.2 2,-0.2 98,-0.1 96,-0.1 -0.798 65.2 163.3 -97.2 126.5 34.1 -5.1 28.5 46 44 A K - 0 0 67 -2,-0.5 97,-0.2 94,-0.4 4,-0.1 -0.769 51.4-104.3-128.9 174.5 33.7 -3.9 32.1 47 45 A D S S+ 0 0 137 -2,-0.2 2,-0.3 95,-0.1 94,-0.1 0.240 101.2 55.6 -87.3 15.7 32.3 -5.6 35.2 48 46 A V S S- 0 0 31 92,-0.1 -2,-0.4 93,-0.1 2,-0.2 -0.920 94.1 -93.2-140.5 165.2 29.1 -3.5 34.9 49 47 A V E -g 80 0D 7 30,-2.8 32,-2.9 -2,-0.3 2,-0.4 -0.587 41.9-145.8 -78.0 141.2 26.4 -2.9 32.4 50 48 A Q E -gH 81 139D 2 89,-2.5 89,-2.8 -2,-0.2 2,-0.5 -0.932 15.3-170.1-115.8 135.6 27.1 0.2 30.3 51 49 A V E -gH 82 138D 1 30,-2.6 32,-2.6 -2,-0.4 2,-0.6 -0.963 9.3-169.6-122.5 109.4 24.5 2.6 28.9 52 50 A I E -gH 83 137D 1 85,-2.5 85,-2.7 -2,-0.5 2,-0.6 -0.905 1.6-171.5-105.4 118.6 26.0 5.0 26.4 53 51 A I E -gH 84 136D 0 30,-3.0 32,-3.1 -2,-0.6 2,-0.4 -0.933 4.5-161.9-114.3 112.9 23.7 7.9 25.4 54 52 A T E +gH 85 135D 0 81,-1.6 81,-1.7 -2,-0.6 32,-0.2 -0.745 12.5 175.3 -96.2 140.9 24.8 10.2 22.6 55 53 A V - 0 0 0 30,-2.2 77,-0.4 -2,-0.4 32,-0.4 -0.973 38.8-123.6-141.3 153.5 23.3 13.6 22.0 56 54 A P S S- 0 0 9 0, 0.0 31,-0.5 0, 0.0 76,-0.3 0.926 90.1 -24.7 -61.3 -47.6 24.0 16.6 19.6 57 55 A S > - 0 0 0 29,-0.1 3,-0.9 30,-0.1 6,-0.3 -0.854 40.0-140.2-171.4 135.2 24.5 19.0 22.5 58 56 A L T 3 S+ 0 0 2 1,-0.3 -1,-0.1 -2,-0.3 6,-0.1 0.633 100.1 74.9 -70.1 -13.7 23.6 19.5 26.1 59 57 A D T 3 S+ 0 0 11 4,-0.1 -1,-0.3 -3,-0.0 549,-0.1 0.051 83.6 84.0 -87.6 25.6 23.2 23.2 25.3 60 58 A T S <> S- 0 0 28 -3,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.961 85.3-118.1-128.3 146.8 19.9 22.5 23.5 61 59 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.913 110.2 44.7 -45.5 -61.4 16.4 22.1 25.0 62 60 A V H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 112.3 51.6 -55.1 -47.4 15.7 18.5 24.0 63 61 A C H > S+ 0 0 0 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.874 109.5 50.8 -60.2 -37.7 19.1 17.2 25.1 64 62 A E H X S+ 0 0 23 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.931 110.3 49.5 -65.1 -45.1 18.7 18.8 28.5 65 63 A T H X S+ 0 0 64 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.909 111.5 48.4 -59.2 -46.6 15.3 17.2 29.0 66 64 A E H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.885 109.8 52.0 -62.5 -42.3 16.6 13.8 28.0 67 65 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 111.1 45.9 -62.3 -47.0 19.6 14.0 30.3 68 66 A K H < S+ 0 0 80 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.901 112.9 53.0 -62.4 -40.3 17.5 14.9 33.4 69 67 A K H >X S+ 0 0 66 -4,-2.1 4,-2.0 -5,-0.2 3,-1.6 0.942 110.2 44.0 -60.9 -52.6 15.0 12.1 32.5 70 68 A F H 3X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.858 107.3 61.1 -61.7 -35.1 17.6 9.4 32.2 71 69 A N H 3< S+ 0 0 17 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.596 109.4 46.1 -66.9 -9.1 19.2 10.7 35.4 72 70 A E H X4 S+ 0 0 131 -3,-1.6 3,-1.1 -4,-0.3 -2,-0.2 0.869 112.2 42.4 -98.4 -53.0 15.8 9.9 37.0 73 71 A I H 3< S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.724 114.1 52.4 -70.2 -22.8 14.9 6.4 35.7 74 72 A M T >< S+ 0 0 7 -4,-1.8 3,-1.2 -5,-0.2 -1,-0.2 0.355 81.6 127.0 -95.1 5.9 18.4 5.0 36.3 75 73 A A T < S+ 0 0 46 -3,-1.1 3,-0.1 1,-0.2 -3,-0.1 -0.302 76.3 8.4 -64.6 145.2 18.6 6.2 39.9 76 74 A G T 3 S+ 0 0 80 1,-0.2 2,-0.9 -2,-0.0 -1,-0.2 0.360 89.7 137.1 68.2 -8.3 19.6 3.6 42.5 77 75 A M X - 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