==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-OCT-09 3A9G . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM; . AUTHOR H.SAKURABA,K.YOKONO,K.YONEDA,T.OHSHIMA . 338 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 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 . 31 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 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 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 6 3 4 1 0 1 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 0 5 1 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 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 33 A E 0 0 242 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.1 -46.6 18.2 -18.6 2 34 A W - 0 0 55 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.558 360.0-154.0 -68.5 126.7 -44.4 15.4 -20.2 3 35 A K + 0 0 43 -2,-0.3 333,-0.5 2,-0.0 2,-0.3 -0.910 28.5 135.9-114.5 128.7 -46.7 12.8 -21.9 4 36 A F E -A 335 0A 56 -2,-0.4 2,-0.4 331,-0.2 331,-0.2 -0.966 43.0-125.6-159.1 164.5 -45.6 9.2 -22.4 5 37 A K E -A 334 0A 47 329,-2.9 329,-2.7 -2,-0.3 2,-0.5 -0.989 23.3-155.0-120.7 139.3 -46.5 5.5 -22.3 6 38 A I E +A 333 0A 69 -2,-0.4 2,-0.3 327,-0.2 327,-0.2 -0.942 13.8 175.6-120.6 121.5 -44.4 2.9 -20.4 7 39 A S E -A 332 0A 61 325,-1.9 325,-2.7 -2,-0.5 2,-0.7 -0.748 34.8-110.8-110.0 161.3 -44.2 -0.8 -21.1 8 40 A E E -A 331 0A 119 -2,-0.3 323,-0.2 323,-0.2 3,-0.1 -0.853 25.7-176.5 -91.8 115.3 -42.1 -3.6 -19.6 9 41 A V E S- 0 0 38 321,-2.9 2,-0.3 -2,-0.7 322,-0.2 0.785 72.2 -7.0 -77.6 -32.3 -39.5 -4.9 -22.1 10 42 A A E -A 330 0A 13 320,-1.3 320,-1.8 29,-0.1 -1,-0.3 -0.974 66.4-161.8-161.3 157.7 -38.2 -7.6 -19.8 11 43 A S + 0 0 39 -2,-0.3 316,-0.2 318,-0.2 318,-0.2 -0.905 59.8 37.1-147.4 174.8 -38.7 -8.8 -16.2 12 44 A D S S+ 0 0 93 314,-3.7 316,-0.2 -2,-0.3 2,-0.2 0.793 70.4 151.4 37.0 45.8 -37.1 -10.9 -13.4 13 45 A L - 0 0 0 315,-2.7 2,-0.7 313,-0.3 -1,-0.2 -0.543 48.3-124.3 -81.5 157.0 -33.6 -9.9 -14.3 14 46 A E S S- 0 0 62 1,-0.2 18,-0.6 -2,-0.2 3,-0.2 -0.881 79.7 -33.0-110.8 102.1 -31.0 -9.9 -11.5 15 47 A V - 0 0 3 -2,-0.7 17,-2.0 16,-0.2 2,-0.7 0.967 69.8-149.8 53.3 65.7 -29.4 -6.5 -11.4 16 48 A P E +D 31 0B 0 0, 0.0 15,-0.3 0, 0.0 285,-0.2 -0.538 21.6 179.0 -63.3 110.8 -29.5 -5.6 -15.2 17 49 A W E + 0 0 2 13,-2.0 2,-0.3 -2,-0.7 231,-0.1 0.869 56.6 14.5 -88.6 -38.3 -26.3 -3.5 -15.2 18 50 A S E -D 30 0B 4 12,-0.7 12,-1.7 43,-0.2 2,-0.4 -0.987 59.6-157.3-144.5 144.1 -26.0 -2.5 -18.9 19 51 A I E -D 29 0B 6 -2,-0.3 10,-0.2 10,-0.2 44,-0.1 -0.993 3.3-171.2-127.9 127.1 -28.3 -2.6 -22.0 20 52 A A E -D 28 0B 9 8,-3.1 8,-2.7 -2,-0.4 2,-0.2 -0.959 22.4-137.5-117.4 109.3 -27.2 -2.6 -25.6 21 53 A P E -D 27 0B 37 0, 0.0 6,-0.2 0, 0.0 3,-0.0 -0.473 17.2-173.3 -63.6 129.8 -30.1 -2.1 -28.1 22 54 A L E - 0 0 48 4,-2.8 5,-0.2 -2,-0.2 2,-0.1 0.623 44.4-107.1 -95.8 -19.0 -29.8 -4.4 -31.1 23 55 A G E > S+D 26 0B 25 3,-0.9 3,-0.8 0, 0.0 -1,-0.1 0.042 93.6 53.6 99.8 145.6 -32.7 -3.0 -33.1 24 56 A G T 3 S- 0 0 58 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 0.829 132.3 -56.0 66.4 34.9 -36.1 -4.5 -33.8 25 57 A G T 3 S+ 0 0 22 1,-0.3 2,-0.4 15,-0.1 -1,-0.2 0.638 106.1 126.3 72.3 14.5 -37.0 -5.1 -30.1 26 58 A R E < -D 23 0B 115 -3,-0.8 -4,-2.8 14,-0.2 -3,-0.9 -0.872 35.0-179.0-100.5 139.1 -33.8 -7.2 -29.4 27 59 A Y E -DE 21 39B 6 12,-3.1 12,-3.6 -2,-0.4 2,-0.4 -0.998 24.7-144.5-140.0 137.1 -31.5 -6.3 -26.5 28 60 A L E +DE 20 38B 0 -8,-2.7 -8,-3.1 -2,-0.3 2,-0.4 -0.861 29.8 179.0 -92.7 134.8 -28.2 -7.5 -25.0 29 61 A V E -DE 19 37B 0 8,-2.4 8,-3.2 -2,-0.4 2,-0.4 -0.998 22.4-142.7-140.1 134.7 -28.1 -7.1 -21.2 30 62 A T E -DE 18 36B 0 -12,-1.7 -13,-2.0 -2,-0.4 -12,-0.7 -0.812 10.6-153.7 -92.9 139.8 -25.6 -8.0 -18.5 31 63 A E E >> -DE 16 35B 9 4,-2.7 3,-2.2 -2,-0.4 4,-1.7 -0.969 22.3-127.3-108.5 134.6 -26.8 -9.2 -15.2 32 64 A R T 34 S+ 0 0 17 -17,-2.0 28,-3.1 -18,-0.6 -17,-0.1 0.780 101.8 69.1 -58.4 -36.6 -24.4 -8.4 -12.5 33 65 A P T 34 S- 0 0 21 0, 0.0 19,-0.4 0, 0.0 -1,-0.3 0.626 128.7 -79.4 -56.1 -13.9 -24.1 -12.1 -11.1 34 66 A G T <4 S+ 0 0 4 -3,-2.2 16,-3.1 1,-0.3 2,-0.4 0.719 87.7 120.4 122.3 35.0 -22.3 -13.0 -14.4 35 67 A R E < -EF 31 49B 77 -4,-1.7 -4,-2.7 14,-0.2 2,-0.6 -0.990 43.4-154.0-134.0 138.6 -24.6 -13.5 -17.3 36 68 A L E -EF 30 48B 0 12,-2.8 11,-2.7 -2,-0.4 12,-1.6 -0.947 28.2-169.4-100.0 118.6 -25.0 -11.9 -20.7 37 69 A V E -EF 29 46B 4 -8,-3.2 -8,-2.4 -2,-0.6 2,-0.6 -0.882 21.3-140.1-116.7 144.3 -28.6 -12.3 -21.9 38 70 A L E -EF 28 45B 15 7,-3.9 7,-3.2 -2,-0.4 2,-0.5 -0.906 18.2-160.6 -96.6 119.7 -30.4 -11.7 -25.2 39 71 A I E +EF 27 44B 5 -12,-3.6 -12,-3.1 -2,-0.6 5,-0.2 -0.905 19.3 164.5-100.2 128.4 -33.9 -10.2 -24.8 40 72 A S - 0 0 17 3,-3.0 -14,-0.2 -2,-0.5 -15,-0.1 -0.879 53.4-109.3-133.4 164.9 -36.3 -10.6 -27.8 41 73 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.937 124.7 56.8 -60.9 -42.5 -40.0 -10.1 -28.2 42 74 A S S S- 0 0 114 1,-0.1 2,-0.3 -3,-0.1 -3,-0.0 0.835 123.4 -92.1 -44.6 -46.8 -40.0 -13.9 -28.5 43 75 A G - 0 0 31 2,-0.0 -3,-3.0 -3,-0.0 2,-0.5 -0.985 53.1 -34.6 164.0-150.6 -38.3 -14.2 -25.0 44 76 A K E -F 39 0B 99 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.942 44.4-174.0-115.8 125.9 -35.1 -14.4 -22.9 45 77 A K E -F 38 0B 97 -7,-3.2 -7,-3.9 -2,-0.5 2,-0.6 -0.974 23.1-132.2-126.3 124.7 -31.9 -16.2 -24.1 46 78 A L E +F 37 0B 90 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.637 26.6 174.3 -69.7 114.0 -28.6 -16.9 -22.2 47 79 A V E - 0 0 12 -11,-2.7 57,-0.9 -2,-0.6 2,-0.3 0.879 63.1 -9.2 -86.4 -48.6 -25.7 -15.9 -24.4 48 80 A A E -F 36 0B 15 -12,-1.6 -12,-2.8 55,-0.1 2,-0.4 -0.993 53.5-148.3-153.1 148.0 -22.8 -16.4 -22.0 49 81 A S E -F 35 0B 83 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.942 17.6-163.6-114.8 144.3 -22.1 -17.0 -18.3 50 82 A F - 0 0 31 -16,-3.1 2,-1.4 -2,-0.4 10,-0.1 -0.982 25.5-128.1-130.3 141.0 -19.0 -15.7 -16.5 51 83 A D + 0 0 158 -2,-0.4 2,-0.2 8,-0.0 -17,-0.1 -0.707 50.9 166.6 -81.4 88.0 -17.3 -16.6 -13.3 52 84 A V - 0 0 11 -2,-1.4 2,-1.4 -19,-0.4 29,-0.3 -0.607 51.2 -99.1-103.2 162.3 -17.2 -13.1 -11.8 53 85 A A - 0 0 0 27,-1.6 2,-1.3 -2,-0.2 27,-0.2 -0.715 44.2-173.1 -77.7 95.1 -16.5 -11.7 -8.3 54 86 A N + 0 0 82 -2,-1.4 2,-0.3 -21,-0.1 5,-0.2 -0.664 37.1 117.4 -95.9 79.7 -20.2 -11.3 -7.5 55 87 A V S > S- 0 0 31 -2,-1.3 3,-2.7 3,-0.4 62,-0.1 -0.997 75.4 -27.5-151.7 139.7 -19.8 -9.5 -4.2 56 88 A G T 3 S- 0 0 40 -2,-0.3 63,-0.2 1,-0.3 62,-0.1 -0.266 128.9 -21.3 49.2-123.1 -20.9 -6.0 -3.0 57 89 A E T 3 S+ 0 0 59 61,-3.2 -1,-0.3 60,-0.1 2,-0.2 0.338 118.8 101.4 -95.4 3.4 -21.0 -3.7 -6.0 58 90 A A < + 0 0 0 -3,-2.7 -3,-0.4 60,-0.2 2,-0.3 -0.520 43.3 82.6 -88.3 155.5 -18.7 -6.0 -8.1 59 91 A G S S- 0 0 0 -5,-0.2 21,-2.3 -2,-0.2 2,-0.6 -0.991 87.7 -13.8 156.1-147.2 -19.7 -8.4 -10.8 60 92 A L E S+G 79 0C 0 -28,-3.1 19,-0.2 -2,-0.3 -26,-0.2 -0.798 75.4 153.1 -87.8 121.4 -20.5 -8.3 -14.5 61 93 A L E + 0 0 1 17,-3.1 -43,-0.2 -2,-0.6 -31,-0.2 0.519 34.0 37.4-119.7-107.7 -20.9 -4.6 -15.3 62 94 A G E - 0 0 0 61,-1.5 16,-1.9 15,-0.1 2,-0.3 -0.046 51.2-171.4 -61.0 157.5 -20.5 -2.6 -18.5 63 95 A L E +G 77 0C 8 62,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.981 6.4 173.8-149.3 131.0 -21.3 -3.8 -22.0 64 96 A A E -G 76 0C 7 12,-2.1 12,-3.1 -2,-0.3 2,-0.4 -0.992 21.2-141.3-141.6 139.0 -20.5 -2.2 -25.4 65 97 A L E -G 75 0C 34 -2,-0.3 62,-0.2 10,-0.2 10,-0.2 -0.783 38.8 -97.4 -91.7 142.4 -21.0 -3.4 -29.0 66 98 A H > - 0 0 11 8,-2.8 3,-2.4 -2,-0.4 6,-0.1 -0.246 33.1-116.8 -50.5 139.7 -18.3 -2.6 -31.5 67 99 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.789 117.8 51.0 -50.3 -27.1 -19.3 0.6 -33.6 68 100 A E T >> S+ 0 0 115 4,-0.1 4,-2.5 2,-0.1 3,-0.7 0.124 93.1 172.4 -99.5 14.6 -19.3 -1.8 -36.6 69 101 A F T <4 + 0 0 41 -3,-2.4 4,-0.1 1,-0.3 -4,-0.0 -0.428 58.4 16.6 -66.3 144.0 -21.6 -4.4 -35.1 70 102 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.986 128.5 52.7 -86.4 -1.8 -23.0 -6.8 -36.4 71 103 A K T <4 S+ 0 0 192 -3,-0.7 2,-0.7 1,-0.3 -2,-0.3 0.921 121.5 36.2 -56.8 -49.7 -20.6 -6.6 -39.3 72 104 A K S < S- 0 0 60 -4,-2.5 2,-0.6 -6,-0.1 -1,-0.3 -0.939 90.2-156.3-100.4 106.4 -17.7 -6.6 -36.8 73 105 A S + 0 0 18 -2,-0.7 24,-3.1 -3,-0.2 2,-0.4 0.061 40.4 138.3 -82.5 30.1 -19.2 -9.0 -34.3 74 106 A W E - 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