==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-AUG-00 1FO5 . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.W.CAVE,H.S.CHO,A.M.BATCHELDER,R.KIM,H.YOKOTA,D.E.WEMMER, . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 9.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 14 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 20.0 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 1 0 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 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 A M 0 0 231 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.9 7.8 -8.6 14.6 2 1 A S - 0 0 74 32,-0.1 0, 0.0 1,-0.1 0, 0.0 0.209 360.0-103.1-147.6 2.4 5.2 -5.9 13.9 3 2 A K - 0 0 101 2,-0.1 2,-0.9 1,-0.0 32,-0.2 0.120 58.4 -55.5 66.1 162.6 2.8 -7.8 11.5 4 3 A V E -a 35 0A 20 30,-2.6 32,-2.1 27,-0.1 2,-0.5 -0.627 63.4-154.1 -73.3 103.3 2.8 -7.1 7.7 5 4 A K E +a 36 0A 63 58,-2.3 2,-0.4 -2,-0.9 32,-0.2 -0.755 16.3 179.3 -85.5 123.7 2.2 -3.3 7.6 6 5 A I E -a 37 0A 1 30,-2.9 32,-2.1 -2,-0.5 2,-0.3 -0.953 3.9-172.1-114.9 141.2 0.6 -2.0 4.4 7 6 A E E -aB 38 61A 36 54,-1.7 54,-2.5 -2,-0.4 2,-0.5 -0.991 12.3-158.8-134.8 147.0 -0.1 1.7 3.9 8 7 A L E +aB 39 60A 0 30,-2.9 32,-2.0 -2,-0.3 2,-0.8 -0.872 15.5 174.7-128.9 88.4 -2.1 3.3 1.1 9 8 A F E +aB 40 59A 3 50,-2.7 50,-2.0 -2,-0.5 2,-0.3 -0.825 43.6 80.1-105.9 93.9 -1.1 7.0 0.8 10 9 A T E -a 41 0A 12 30,-1.0 32,-0.7 -2,-0.8 33,-0.1 -0.916 59.8-143.1-177.7 156.8 -2.9 8.4 -2.3 11 10 A S - 0 0 35 30,-0.3 2,-0.2 -2,-0.3 30,-0.1 -0.784 27.6-160.4-128.3 85.8 -6.4 9.7 -3.3 12 11 A P + 0 0 33 0, 0.0 -2,-0.1 0, 0.0 59,-0.0 -0.542 19.1 168.5 -68.5 137.9 -6.6 8.3 -6.9 13 12 A M + 0 0 140 -2,-0.2 3,-0.2 3,-0.1 0, 0.0 0.631 66.2 46.9-134.6 -31.1 -9.3 10.4 -8.6 14 13 A C S S+ 0 0 110 1,-0.3 2,-0.8 2,-0.0 0, 0.0 0.939 120.8 33.6 -77.2 -79.4 -9.1 9.6 -12.4 15 14 A P S S- 0 0 74 0, 0.0 2,-2.4 0, 0.0 -1,-0.3 -0.684 83.0-145.5 -74.4 111.2 -8.8 5.7 -12.2 16 15 A H - 0 0 154 -2,-0.8 -3,-0.1 -3,-0.2 -2,-0.0 -0.489 30.9-172.7 -72.8 72.4 -11.0 4.8 -9.1 17 16 A C - 0 0 26 -2,-2.4 3,-0.1 1,-0.1 4,-0.1 -0.331 37.6-118.8 -63.0 153.1 -8.7 1.9 -8.3 18 17 A P > + 0 0 62 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.735 55.1 168.4 -62.5 -21.5 -9.6 -0.5 -5.5 19 18 A A T >> + 0 0 0 1,-0.3 4,-2.3 2,-0.2 3,-0.8 -0.179 67.9 13.7 46.9-118.5 -6.3 0.8 -3.9 20 19 A A H 3> S+ 0 0 5 1,-0.3 4,-3.3 2,-0.2 -1,-0.3 0.784 124.1 64.9 -58.3 -28.5 -6.3 -0.5 -0.3 21 20 A K H <> S+ 0 0 136 -3,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.923 109.6 37.6 -62.3 -44.1 -9.1 -2.9 -1.1 22 21 A R H <> S+ 0 0 83 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.959 117.1 50.3 -66.1 -52.3 -6.8 -4.8 -3.5 23 22 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.917 115.0 43.9 -60.6 -41.5 -3.7 -4.4 -1.3 24 23 A V H X S+ 0 0 34 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.945 115.8 46.6 -62.5 -51.0 -5.6 -5.8 1.8 25 24 A E H X S+ 0 0 132 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.908 113.5 50.4 -60.4 -41.8 -7.3 -8.6 -0.1 26 25 A E H X S+ 0 0 36 -4,-3.0 4,-0.8 2,-0.2 3,-0.2 0.931 117.8 36.5 -62.1 -50.6 -4.0 -9.6 -1.7 27 26 A V H X S+ 0 0 1 -4,-2.3 4,-3.2 -5,-0.2 3,-0.3 0.831 111.7 59.7 -77.2 -29.7 -1.9 -9.7 1.5 28 27 A A H < S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.735 98.1 61.2 -68.7 -23.1 -4.8 -11.1 3.6 29 28 A N H < S+ 0 0 139 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.907 115.4 33.5 -58.8 -44.3 -4.7 -14.1 1.1 30 29 A E H < S+ 0 0 70 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.1 0.939 138.8 17.1 -71.0 -55.0 -1.2 -14.6 2.4 31 30 A M < - 0 0 78 -4,-3.2 2,-1.2 2,-0.1 -1,-0.2 -0.855 63.7-174.6-134.2 85.3 -1.6 -13.5 6.0 32 31 A P S S+ 0 0 104 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.108 89.0 14.3 -80.0 39.0 -5.3 -13.4 7.1 33 32 A D S S+ 0 0 139 -2,-1.2 2,-1.6 3,-0.0 -5,-0.1 0.140 109.6 73.3-178.2 -49.7 -4.4 -11.9 10.6 34 33 A A S S+ 0 0 27 -31,-0.1 -30,-2.6 -6,-0.1 2,-0.4 -0.248 80.3 112.7 -77.7 48.0 -0.8 -10.6 10.5 35 34 A V E -a 4 0A 35 -2,-1.6 2,-0.4 -32,-0.2 -30,-0.2 -0.974 42.6-178.1-128.4 134.4 -2.1 -7.7 8.3 36 35 A E E -a 5 0A 54 -32,-2.1 -30,-2.9 -2,-0.4 2,-0.4 -0.996 8.9-170.9-128.4 131.7 -2.3 -3.9 9.1 37 36 A V E -a 6 0A 53 -2,-0.4 2,-0.9 -32,-0.2 -30,-0.2 -0.959 12.4-167.9-129.5 110.7 -3.7 -1.5 6.5 38 37 A E E -a 7 0A 92 -32,-2.1 -30,-2.9 -2,-0.4 2,-1.0 -0.887 8.1-169.2 -90.3 102.4 -3.7 2.2 6.8 39 38 A Y E +a 8 0A 119 -2,-0.9 2,-0.7 -32,-0.2 -30,-0.1 -0.866 13.4 175.0 -86.6 96.6 -6.0 3.3 4.0 40 39 A I E -a 9 0A 24 -32,-2.0 -30,-1.0 -2,-1.0 2,-0.3 -0.809 19.9-154.8-112.3 85.1 -5.1 7.0 4.1 41 40 A N E -a 10 0A 75 -2,-0.7 2,-1.1 -32,-0.2 -30,-0.3 -0.481 36.9-105.8 -55.1 116.4 -7.0 8.7 1.3 42 41 A V S S+ 0 0 46 -32,-0.7 2,-0.2 -2,-0.3 -1,-0.1 -0.461 88.3 84.5 -68.1 99.9 -4.8 11.8 0.7 43 42 A M S S+ 0 0 119 -2,-1.1 -33,-0.1 3,-0.1 0, 0.0 -0.799 86.4 15.2-178.5 156.6 -6.8 14.6 2.2 44 43 A E S S+ 0 0 208 -2,-0.2 -3,-0.1 1,-0.0 -2,-0.0 0.710 106.1 83.6 36.7 54.6 -7.2 15.9 5.8 45 44 A N S S- 0 0 45 -5,-0.1 2,-0.0 0, 0.0 -1,-0.0 -0.911 83.7 -81.0-178.4 154.7 -4.0 14.1 7.2 46 45 A P - 0 0 78 0, 0.0 3,-0.4 0, 0.0 2,-0.3 -0.268 32.0-117.8 -77.0 160.4 -0.2 14.7 7.3 47 46 A Q > + 0 0 135 1,-0.2 4,-1.5 2,-0.1 -38,-0.0 0.085 66.7 136.3 -79.0 25.7 2.3 14.1 4.4 48 47 A K T 4 S+ 0 0 76 1,-0.3 -1,-0.2 -2,-0.3 4,-0.2 0.679 81.1 30.1 -58.9 -25.1 4.0 11.6 6.8 49 48 A A T 4 S+ 0 0 0 -3,-0.4 6,-0.3 2,-0.1 -1,-0.3 0.695 112.4 64.2 -91.7 -36.6 4.4 9.1 3.8 50 49 A M T 4 S+ 0 0 63 -4,-0.2 -2,-0.2 5,-0.1 -3,-0.1 0.511 98.4 61.7 -73.2 -6.4 4.6 11.7 1.0 51 50 A E S X S+ 0 0 116 -4,-1.5 4,-1.4 4,-0.1 3,-0.2 0.587 77.1 93.4 -69.3-119.2 7.9 12.9 2.6 52 51 A Y T 4 S- 0 0 73 1,-0.2 -3,-0.0 -4,-0.2 -2,-0.0 0.026 103.2 -66.1 60.6-171.7 10.4 9.9 2.5 53 52 A G T 4 S+ 0 0 71 1,-0.1 -1,-0.2 13,-0.1 -3,-0.1 0.596 130.6 61.1 -80.7 -14.3 12.9 9.5 -0.4 54 53 A I T 4 + 0 0 29 -5,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.950 63.4 176.0 -82.5 -50.0 10.0 8.8 -2.9 55 54 A M < + 0 0 129 -4,-1.4 2,-0.2 -6,-0.3 -5,-0.1 0.866 50.2 104.1 41.3 46.9 8.1 12.1 -2.7 56 55 A A - 0 0 26 -5,-0.2 -1,-0.1 11,-0.1 -5,-0.0 -0.806 67.6-105.7-159.9 106.9 5.8 10.8 -5.5 57 56 A V S S+ 0 0 69 -2,-0.2 -47,-0.1 1,-0.2 11,-0.1 -0.350 94.9 66.0 -59.7 158.3 2.3 9.4 -5.2 58 57 A P S S- 0 0 9 0, 0.0 2,-0.5 0, 0.0 11,-0.3 0.285 77.8-169.6 -74.3 118.5 0.7 6.9 -5.3 59 58 A T E +B 9 0A 1 -50,-2.0 -50,-2.7 9,-0.1 2,-0.4 -0.675 11.8 174.2 -86.6 116.6 2.8 6.4 -2.1 60 59 A I E -BC 8 67A 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.4 -0.981 23.6-156.3-134.1 140.9 2.4 2.8 -0.9 61 60 A V E -BC 7 66A 3 -54,-2.5 -54,-1.7 -2,-0.4 2,-0.3 -0.945 10.7-174.6-114.5 129.8 4.0 0.7 1.9 62 61 A I E > S- C 0 65A 8 3,-1.9 2,-2.9 -2,-0.4 3,-2.5 -0.974 75.8 -17.0-124.6 146.7 4.1 -3.2 1.6 63 62 A N T 3 S- 0 0 46 -2,-0.3 -58,-2.3 1,-0.3 -57,-0.1 -0.240 131.5 -52.1 45.8 -43.0 5.4 -5.3 4.5 64 63 A G T 3 S+ 0 0 43 -2,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.104 109.9 118.1 169.8 -10.3 6.9 -2.0 5.9 65 64 A D E < -C 62 0A 106 -3,-2.5 -3,-1.9 -60,-0.1 2,-0.3 -0.662 58.8-133.7 -91.1 132.7 8.9 -0.8 2.8 66 65 A V E +C 61 0A 47 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.644 46.0 127.5 -93.0 127.1 7.9 2.6 1.2 67 66 A E E -C 60 0A 93 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.3 -0.943 42.6-139.5-161.2-179.7 7.6 2.7 -2.6 68 67 A F - 0 0 89 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.1 -0.916 15.4-176.6-158.8 129.3 5.3 3.7 -5.6 69 68 A I - 0 0 53 -2,-0.3 7,-0.6 -11,-0.3 6,-0.4 -0.761 50.9 -25.1-140.2 92.8 4.9 1.6 -8.7 70 69 A G S S- 0 0 49 -2,-0.3 -1,-0.0 1,-0.1 4,-0.0 -0.507 84.7 -63.7 115.2-177.4 2.7 2.9 -11.6 71 70 A A S S+ 0 0 88 -2,-0.2 -1,-0.1 -3,-0.0 3,-0.1 0.884 124.9 51.9 -68.0 -50.1 -0.2 5.3 -12.2 72 71 A P S S- 0 0 39 0, 0.0 -3,-0.2 0, 0.0 0, 0.0 -0.204 112.0 -72.8 -68.4 178.5 -2.2 2.8 -10.0 73 72 A T S S- 0 0 2 1,-0.1 2,-2.7 -5,-0.1 3,-0.4 0.236 79.4 -52.2 -58.1-173.7 -1.1 1.7 -6.5 74 73 A K S >> S+ 0 0 0 1,-0.2 4,-2.3 -7,-0.1 3,-1.1 -0.063 80.5 141.0 -70.4 39.6 1.8 -0.8 -5.9 75 74 A E H 3> + 0 0 52 -2,-2.7 4,-2.4 -6,-0.4 -1,-0.2 0.858 65.5 60.4 -58.8 -38.5 0.4 -3.5 -8.3 76 75 A A H 34 S+ 0 0 52 -7,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 0.842 115.4 34.4 -54.3 -41.3 3.8 -4.5 -9.7 77 76 A L H X> S+ 0 0 54 -3,-1.1 4,-2.9 2,-0.2 3,-2.0 0.739 109.4 65.0 -85.4 -26.6 4.9 -5.5 -6.1 78 77 A V H 3X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.904 95.7 60.0 -62.1 -36.3 1.3 -6.7 -5.3 79 78 A E H 3< S+ 0 0 135 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.472 114.4 36.9 -60.8 -6.6 2.1 -9.4 -8.0 80 79 A A H X> S+ 0 0 37 -3,-2.0 4,-2.2 -5,-0.1 3,-1.3 0.665 106.9 58.1-126.4 -36.1 5.0 -10.4 -5.8 81 80 A I H 3X S+ 0 0 2 -4,-2.9 4,-0.9 1,-0.3 -3,-0.2 0.892 109.0 53.5 -61.4 -31.0 3.8 -10.1 -2.2 82 81 A K H 3< S+ 0 0 124 -4,-2.0 -1,-0.3 -5,-0.3 -3,-0.1 0.679 110.8 47.3 -64.9 -22.2 1.2 -12.6 -3.5 83 82 A K H <4 S- 0 0 164 -3,-1.3 -2,-0.2 -5,-0.1 -1,-0.1 0.901 141.6 -32.7 -91.1 -47.0 4.1 -14.8 -4.6 84 83 A R H < 0 0 187 -4,-2.2 -2,-0.2 0, 0.0 -3,-0.1 -0.398 360.0 360.0-178.5 81.4 6.3 -14.9 -1.5 85 84 A L < 0 0 54 -4,-0.9 -4,-0.1 -58,-0.1 -3,-0.1 0.751 360.0 360.0 -57.3 360.0 6.3 -11.7 0.5