==== 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 19-DEC-02 1NHO . COMPND 2 MOLECULE: PROBABLE THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR G.Y.AMEGBEY,H.MONZAVI,B.HABIBI-NAZHAD,S.BHATTACHARYYA,D.S.WI . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 10.6 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 . 1 1.2 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 . 12 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 24.7 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+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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 100 0, 0.0 3,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 159.3 -10.9 -2.6 8.6 2 2 A V + 0 0 14 1,-0.3 2,-0.5 28,-0.1 82,-0.2 0.856 360.0 7.5 -80.0 -96.5 -11.9 -4.0 5.1 3 3 A V + 0 0 0 30,-0.6 2,-0.3 28,-0.2 -1,-0.3 -0.749 69.2 167.5 -90.0 129.1 -9.6 -2.8 2.4 4 4 A N + 0 0 22 -2,-0.5 2,-0.4 58,-0.2 32,-0.3 -0.816 6.0 155.0-149.1 101.9 -6.5 -0.9 3.5 5 5 A I E -a 36 0A 0 30,-0.9 32,-3.3 -2,-0.3 2,-0.5 -0.977 19.9-167.2-124.4 138.9 -3.7 -0.2 1.1 6 6 A E E -aB 37 60A 32 54,-1.0 54,-1.2 -2,-0.4 2,-0.7 -0.946 3.8-169.2-132.9 121.4 -1.0 2.5 1.2 7 7 A V E +aB 38 59A 0 30,-0.9 32,-1.1 -2,-0.5 2,-0.7 -0.909 6.8 178.0-112.3 111.6 1.1 3.1 -1.9 8 8 A F E +aB 39 58A 0 50,-2.1 50,-3.0 -2,-0.7 32,-0.2 -0.818 36.4 111.4-116.1 95.0 4.0 5.3 -1.3 9 9 A T S S- 0 0 15 30,-1.2 31,-0.2 -2,-0.7 -1,-0.1 0.628 78.9 -48.6-126.3 -59.4 6.1 5.8 -4.4 10 10 A S - 0 0 25 29,-0.3 5,-0.3 3,-0.2 3,-0.2 -0.870 26.2-131.2 179.1 146.5 5.8 9.3 -5.8 11 11 A P S S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.794 110.8 53.5 -75.9 -30.2 3.3 12.0 -6.8 12 12 A T S S+ 0 0 131 -3,-0.1 -2,-0.0 2,-0.1 28,-0.0 0.664 117.0 40.5 -78.9 -14.3 5.0 12.6 -10.1 13 13 A C S S- 0 0 71 -3,-0.2 2,-0.9 0, 0.0 -3,-0.2 -0.695 103.5 -79.3-124.7 179.1 4.7 8.8 -10.9 14 14 A P - 0 0 100 0, 0.0 -2,-0.1 0, 0.0 26,-0.0 -0.706 42.3-157.5 -83.6 107.0 2.2 6.0 -10.4 15 15 A Y - 0 0 68 -2,-0.9 -7,-0.1 -5,-0.3 58,-0.1 0.785 46.4 -79.2 -50.2-115.4 2.4 4.9 -6.8 16 16 A C S > S+ 0 0 5 -9,-0.1 4,-0.6 57,-0.1 2,-0.5 -0.056 75.2 139.8-149.1 38.8 1.1 1.3 -6.5 17 17 A P T 4 + 0 0 49 0, 0.0 4,-0.3 0, 0.0 -2,-0.1 0.048 60.9 76.3 -74.5 29.8 -2.7 1.7 -6.5 18 18 A M T >> S+ 0 0 98 -2,-0.5 4,-1.1 2,-0.1 3,-0.7 0.825 86.7 48.0-106.4 -55.0 -3.0 -1.4 -8.7 19 19 A A H 3> S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 5,-0.1 0.770 108.4 62.3 -59.2 -19.9 -2.5 -4.4 -6.5 20 20 A I H 3X S+ 0 0 11 -4,-0.6 4,-3.7 2,-0.2 5,-0.3 0.917 91.9 60.8 -72.5 -41.8 -4.9 -2.8 -4.1 21 21 A E H <> S+ 0 0 118 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.888 107.0 48.4 -53.6 -35.2 -7.8 -2.9 -6.7 22 22 A V H X S+ 0 0 56 -4,-1.1 4,-1.9 2,-0.2 5,-0.3 0.951 112.9 45.6 -71.0 -45.8 -7.3 -6.7 -6.5 23 23 A V H X S+ 0 0 1 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.872 112.2 53.6 -64.0 -33.9 -7.4 -6.7 -2.7 24 24 A D H X S+ 0 0 41 -4,-3.7 4,-2.2 2,-0.2 5,-0.2 0.913 104.1 55.3 -66.8 -40.9 -10.4 -4.4 -2.9 25 25 A E H X S+ 0 0 143 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.943 118.7 32.9 -57.3 -48.4 -12.2 -6.8 -5.2 26 26 A A H X S+ 0 0 46 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.885 119.5 51.2 -77.6 -39.1 -11.8 -9.6 -2.6 27 27 A K H X S+ 0 0 15 -4,-3.3 4,-2.3 -5,-0.3 -2,-0.2 0.772 105.3 58.7 -73.0 -17.7 -12.0 -7.4 0.5 28 28 A K H < S+ 0 0 103 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.957 96.1 60.8 -71.5 -47.0 -15.2 -6.0 -0.9 29 29 A E H < S+ 0 0 158 -4,-1.3 3,-0.2 -5,-0.2 -1,-0.2 0.863 123.3 23.4 -46.2 -37.4 -16.7 -9.4 -1.0 30 30 A F H < S+ 0 0 106 -4,-1.0 2,-1.5 1,-0.3 -2,-0.2 0.883 135.7 33.1 -93.7 -72.4 -16.2 -9.4 2.8 31 31 A G < - 0 0 7 -4,-2.3 -1,-0.3 1,-0.2 -28,-0.2 -0.603 68.4-164.3 -83.0 89.8 -16.0 -5.7 3.6 32 32 A D S S+ 0 0 105 -2,-1.5 -1,-0.2 -3,-0.2 2,-0.2 0.847 78.1 75.8 -40.6 -29.6 -18.5 -4.1 1.1 33 33 A K S S- 0 0 121 -3,-0.1 -30,-0.6 -6,-0.1 2,-0.3 -0.494 74.2-156.6 -79.9 151.8 -16.6 -1.0 2.2 34 34 A I - 0 0 44 -32,-0.2 -30,-0.1 -2,-0.2 -10,-0.0 -0.908 18.1-176.2-129.3 160.3 -13.0 -0.2 1.0 35 35 A D + 0 0 89 -2,-0.3 -30,-0.9 -32,-0.1 2,-0.6 -0.433 16.0 163.3-151.3 70.1 -10.1 1.9 2.4 36 36 A V E -a 5 0A 29 -32,-0.3 2,-0.3 -30,-0.0 -30,-0.2 -0.810 18.6-164.0 -96.9 123.2 -7.2 2.0 0.0 37 37 A E E -a 6 0A 75 -32,-3.3 -30,-0.9 -2,-0.6 2,-0.4 -0.795 4.9-168.8-108.8 148.3 -4.8 4.8 0.9 38 38 A K E +a 7 0A 107 -2,-0.3 2,-0.3 -32,-0.3 -30,-0.2 -0.926 6.4 179.2-142.8 110.7 -2.1 6.1 -1.5 39 39 A I E -a 8 0A 37 -32,-1.1 -30,-1.2 -2,-0.4 -29,-0.3 -0.725 22.7-122.6-111.8 165.0 0.8 8.4 -0.6 40 40 A D >> - 0 0 14 -2,-0.3 4,-3.2 -32,-0.2 3,-1.2 -0.630 30.1-109.5-100.1 161.1 3.7 10.0 -2.6 41 41 A I T 34 S+ 0 0 33 1,-0.3 -31,-0.1 -2,-0.2 4,-0.1 0.736 120.2 53.3 -62.1 -18.7 7.4 9.7 -1.7 42 42 A M T 34 S+ 0 0 150 2,-0.1 -1,-0.3 1,-0.1 -32,-0.0 0.661 120.4 29.0 -91.2 -15.0 7.4 13.4 -0.7 43 43 A V T <4 S+ 0 0 89 -3,-1.2 3,-0.2 1,-0.1 -2,-0.2 0.697 128.3 36.9-113.6 -31.4 4.4 13.0 1.7 44 44 A D >< + 0 0 5 -4,-3.2 3,-2.5 1,-0.2 4,-0.2 -0.112 65.2 133.2-112.6 37.9 4.7 9.5 3.0 45 45 A R G > + 0 0 132 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.699 56.3 89.7 -65.0 -3.5 8.5 9.2 3.2 46 46 A E G > + 0 0 128 1,-0.2 3,-2.0 -3,-0.2 4,-0.3 0.738 63.3 85.9 -60.0 -20.7 7.6 7.7 6.6 47 47 A K G X S+ 0 0 1 -3,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.964 90.1 44.9 -44.5 -63.4 7.5 4.4 4.7 48 48 A A G X> S+ 0 0 0 -3,-0.6 3,-2.3 1,-0.3 4,-1.5 0.628 73.8 119.1 -57.6 -11.2 11.2 3.9 5.2 49 49 A I G <4 S+ 0 0 82 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.843 76.2 60.7 -24.0 -38.7 10.7 5.0 8.8 50 50 A E G <4 S- 0 0 140 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.956 140.2 -13.0 -56.2 -51.6 12.1 1.4 9.0 51 51 A Y T <4 S- 0 0 53 -3,-2.3 -2,-0.2 -4,-0.1 -1,-0.1 0.623 71.1-171.9-122.8 -30.9 15.3 2.5 7.2 52 52 A G < + 0 0 20 -4,-1.5 3,-0.4 1,-0.1 -3,-0.1 0.566 65.9 98.8 45.0 4.8 14.4 6.0 5.8 53 53 A L S S+ 0 0 147 -5,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.957 94.9 14.1 -75.7 -79.8 17.7 5.5 4.0 54 54 A M S S+ 0 0 156 -6,-0.1 2,-0.8 2,-0.0 -1,-0.2 -0.542 89.8 152.0 -94.2 66.0 16.7 4.3 0.6 55 55 A A + 0 0 6 -2,-1.2 3,-0.1 -3,-0.4 -8,-0.1 -0.842 24.6 99.0-108.2 108.6 13.0 5.3 0.9 56 56 A V S S+ 0 0 74 -2,-0.8 2,-0.9 1,-0.2 -1,-0.1 0.358 75.3 39.6-147.8 -65.2 11.3 6.1 -2.4 57 57 A P S S+ 0 0 31 0, 0.0 12,-1.9 0, 0.0 2,-0.3 -0.848 86.0 106.0-105.4 106.1 9.2 3.3 -4.0 58 58 A A E -BC 8 68A 0 -50,-3.0 -50,-2.1 -2,-0.9 2,-0.3 -0.937 50.2-137.6-160.7 177.8 7.3 1.6 -1.2 59 59 A I E -BC 7 67A 1 8,-1.5 8,-3.1 -52,-0.3 -52,-0.3 -0.992 25.5-111.8-146.5 154.3 3.9 1.2 0.3 60 60 A A E -BC 6 66A 2 -54,-1.2 2,-1.3 -2,-0.3 -54,-1.0 -0.582 32.9-122.6 -87.7 155.5 2.6 1.0 3.9 61 61 A I E >> - C 0 65A 32 4,-2.0 3,-3.0 -2,-0.2 2,-1.5 -0.780 18.9-143.8-104.1 92.2 1.4 -2.4 4.7 62 62 A N T 34 S+ 0 0 16 -2,-1.3 22,-0.2 1,-0.3 -58,-0.2 -0.326 94.4 41.4 -54.7 86.3 -2.1 -1.6 5.8 63 63 A G T 34 S+ 0 0 38 -2,-1.5 -1,-0.3 20,-0.1 17,-0.1 -0.130 133.4 7.3 162.0 -44.9 -2.1 -4.2 8.4 64 64 A V T <4 S- 0 0 87 -3,-3.0 -2,-0.1 1,-0.1 -4,-0.0 0.637 110.7 -72.9-126.7 -60.8 1.4 -3.9 10.0 65 65 A V E < -C 61 0A 73 -4,-0.5 -4,-2.0 -6,-0.1 2,-0.3 -0.168 64.9 -56.2-164.4 -99.1 3.4 -0.9 8.8 66 66 A R E -C 60 0A 24 -6,-0.5 -6,-0.3 -19,-0.1 2,-0.3 -0.982 39.6-168.7-165.2 157.9 5.2 -0.2 5.4 67 67 A F E -C 59 0A 24 -8,-3.1 -8,-1.5 -2,-0.3 2,-0.6 -0.911 35.7 -82.2-146.6 176.2 7.9 -1.7 3.1 68 68 A V E +C 58 0A 81 -2,-0.3 -10,-0.3 -10,-0.2 2,-0.2 -0.727 59.2 143.3 -85.0 121.6 10.1 -1.1 0.1 69 69 A G + 0 0 4 -12,-1.9 -61,-0.1 -2,-0.6 -2,-0.1 -0.710 15.4 162.3-162.7 110.1 8.3 -1.7 -3.2 70 70 A A S S+ 0 0 39 -2,-0.2 -12,-0.1 -13,-0.1 -1,-0.1 0.877 93.6 8.8 -90.5 -80.0 8.5 0.2 -6.5 71 71 A P S S+ 0 0 124 0, 0.0 2,-0.8 0, 0.0 3,-0.3 0.218 110.4 99.1 -83.9 18.3 7.0 -2.0 -9.2 72 72 A S + 0 0 57 1,-0.2 4,-0.4 2,-0.1 3,-0.3 -0.460 32.6 139.2-102.7 63.6 5.8 -4.3 -6.4 73 73 A R >> + 0 0 78 -2,-0.8 3,-3.0 1,-0.2 4,-0.9 0.933 64.0 68.9 -70.6 -42.2 2.2 -3.1 -6.1 74 74 A E H 3> S+ 0 0 126 -3,-0.3 4,-1.9 1,-0.3 3,-0.5 0.855 84.4 73.1 -44.1 -37.1 0.9 -6.7 -5.6 75 75 A E H 3> S+ 0 0 78 -3,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.888 94.0 52.8 -47.8 -37.8 2.7 -6.5 -2.2 76 76 A L H <> S+ 0 0 0 -3,-3.0 4,-2.5 -4,-0.4 5,-0.3 0.924 102.9 56.8 -65.2 -41.5 -0.2 -4.2 -1.2 77 77 A F H X S+ 0 0 64 -4,-0.9 4,-1.2 -3,-0.5 -1,-0.2 0.892 111.7 43.0 -58.2 -36.6 -2.7 -6.9 -2.3 78 78 A E H X S+ 0 0 101 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.827 110.7 55.7 -78.9 -31.0 -1.0 -9.3 0.1 79 79 A A H X S+ 0 0 4 -4,-2.0 4,-0.6 -5,-0.3 -2,-0.2 0.902 105.8 50.2 -70.3 -38.0 -0.7 -6.8 2.9 80 80 A I H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 3,-0.6 0.945 113.6 46.2 -65.7 -42.4 -4.5 -6.0 3.0 81 81 A N H 3< S+ 0 0 43 -4,-1.2 4,-0.5 -5,-0.3 -1,-0.3 0.722 116.5 44.9 -70.5 -21.1 -5.2 -9.7 3.1 82 82 A D H 3< S+ 0 0 77 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.426 110.6 56.4-103.4 2.9 -2.6 -10.1 5.8 83 83 A E H << S+ 0 0 40 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.2 0.877 114.9 34.4 -90.3 -58.4 -3.8 -7.1 7.6 84 84 A M < 0 0 61 -4,-2.7 -2,-0.2 -22,-0.2 -3,-0.2 0.751 360.0 360.0 -69.5 -18.9 -7.4 -8.4 7.9 85 85 A E 0 0 187 -4,-0.5 -1,-0.1 -5,-0.3 0, 0.0 -0.950 360.0 360.0-115.3 360.0 -6.0 -11.9 8.3