==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-12 2YPM . COMPND 2 MOLECULE: LAFCA THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR J.A.GAVIRA,A.INGLES-PRIETO,B.IBARRA-MOLERO,J.M.SANCHEZ-RUIZ . 105 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 13.3 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 1.0 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 . 10 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 127 0, 0.0 53,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 57.3 -10.8 7.3 11.2 2 2 A V E -a 54 0A 49 51,-0.1 2,-0.6 53,-0.0 53,-0.2 -0.878 360.0-144.7-118.3 139.1 -14.0 5.1 11.2 3 3 A I E -a 55 0A 87 51,-2.4 53,-2.5 -2,-0.4 2,-0.6 -0.893 13.8-139.7-106.7 121.9 -17.5 6.0 9.9 4 4 A Q E -a 56 0A 107 -2,-0.6 2,-0.4 51,-0.2 53,-0.2 -0.705 16.0-150.3 -80.6 119.2 -20.5 4.7 11.8 5 5 A V E +a 57 0A 2 51,-2.7 53,-0.5 -2,-0.6 3,-0.1 -0.752 19.9 175.2 -90.7 134.3 -23.2 3.6 9.4 6 6 A T + 0 0 90 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.447 59.0 33.7-120.6 -3.3 -26.8 3.8 10.7 7 7 A N > - 0 0 70 1,-0.1 4,-1.8 55,-0.1 -1,-0.1 -0.986 69.7-120.3-151.1 167.1 -29.0 2.9 7.7 8 8 A K H > S+ 0 0 39 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.889 108.9 50.1 -75.0 -41.7 -29.1 0.7 4.7 9 9 A D H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 112.5 48.4 -65.0 -42.0 -29.4 3.3 1.9 10 10 A E H > S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.870 113.5 48.7 -65.1 -38.1 -26.5 5.3 3.4 11 11 A F H >X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.5 0.971 112.7 45.1 -64.5 -57.3 -24.5 2.1 3.5 12 12 A E H 3X S+ 0 0 65 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.885 111.4 54.1 -54.5 -44.1 -25.2 0.9 -0.0 13 13 A S H 3X S+ 0 0 65 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.813 106.7 52.4 -60.3 -33.7 -24.6 4.5 -1.4 14 14 A I H - 0 0 2 3,-0.2 3,-0.9 -2,-0.2 7,-0.2 -0.988 28.7-129.1-152.1 149.7 -22.8 -6.0 18.3 29 29 A T T 3 S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.729 111.6 55.5 -73.7 -19.6 -23.0 -4.9 22.0 30 30 A W T 3 S+ 0 0 160 1,-0.1 2,-0.9 -3,-0.0 -1,-0.2 0.616 89.2 91.0 -83.0 -12.3 -23.6 -8.6 22.9 31 31 A a <> - 0 0 7 -3,-0.9 4,-1.5 1,-0.2 3,-0.3 -0.741 56.1-169.6 -94.3 100.3 -20.4 -9.7 21.1 32 32 A G H > S+ 0 0 37 -2,-0.9 4,-1.1 1,-0.2 3,-0.2 0.919 87.5 49.3 -51.1 -52.4 -17.4 -9.7 23.5 33 33 A P H > S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.825 102.7 62.5 -61.0 -32.3 -14.8 -10.3 20.7 34 34 A a H > S+ 0 0 0 -3,-0.3 4,-1.0 1,-0.2 3,-0.2 0.933 107.1 43.8 -57.5 -47.9 -16.3 -7.4 18.6 35 35 A K H < S+ 0 0 124 -4,-1.5 -1,-0.2 -3,-0.2 -3,-0.1 0.717 111.1 55.8 -67.4 -25.0 -15.4 -4.9 21.4 36 36 A M H < S+ 0 0 126 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.799 112.0 40.0 -80.5 -29.5 -12.0 -6.5 21.9 37 37 A I H >X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.2 3,-0.6 0.641 92.7 90.5 -92.6 -12.1 -10.9 -6.1 18.3 38 38 A A H 3X S+ 0 0 15 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.842 83.8 52.4 -53.8 -41.3 -12.5 -2.6 17.9 39 39 A P H 3> S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.888 109.3 50.1 -63.3 -36.0 -9.3 -0.7 19.0 40 40 A K H <> S+ 0 0 22 -3,-0.6 4,-2.5 -4,-0.3 5,-0.2 0.923 107.9 53.9 -66.1 -41.5 -7.3 -2.6 16.4 41 41 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.909 110.1 47.6 -55.3 -44.4 -9.8 -1.7 13.8 42 42 A E H X S+ 0 0 101 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.888 109.3 52.5 -65.6 -42.8 -9.5 2.0 14.7 43 43 A E H >X S+ 0 0 99 -4,-2.1 4,-1.2 1,-0.2 3,-0.9 0.943 110.3 48.0 -58.8 -48.4 -5.7 1.9 14.7 44 44 A L H 3X S+ 0 0 4 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.834 103.8 61.2 -62.3 -34.8 -5.7 0.4 11.2 45 45 A S H 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.814 110.0 42.3 -62.9 -29.3 -8.2 3.0 9.9 46 46 A E H << S+ 0 0 135 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.688 109.4 58.0 -87.2 -22.3 -5.6 5.6 10.8 47 47 A E H < S+ 0 0 109 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.456 115.0 37.0 -91.6 -1.3 -2.8 3.4 9.4 48 48 A Y S X S+ 0 0 67 -4,-0.7 4,-0.6 -5,-0.2 -1,-0.3 -0.459 73.1 143.7-137.9 65.6 -4.6 3.4 6.0 49 49 A P T 4 + 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.663 66.9 46.2 -83.9 -14.4 -6.0 7.0 5.8 50 50 A D T 4 S+ 0 0 114 1,-0.1 -2,-0.0 -3,-0.1 3,-0.0 0.851 120.4 23.2 -97.1 -40.8 -5.6 7.6 2.1 51 51 A N T 4 S+ 0 0 116 1,-0.1 -30,-1.6 -31,-0.1 2,-0.4 0.235 110.5 63.6-118.4 10.7 -6.8 4.6 0.1 52 52 A V E < - b 0 21A 8 -4,-0.6 2,-0.5 -32,-0.2 -30,-0.2 -0.994 58.7-151.8-140.9 131.7 -9.2 2.8 2.4 53 53 A V E - b 0 22A 34 -32,-3.1 -30,-2.8 -2,-0.4 2,-0.5 -0.901 15.8-155.1 -99.1 126.9 -12.6 3.7 3.9 54 54 A F E -ab 2 23A 3 -53,-0.6 -51,-2.4 -2,-0.5 2,-0.3 -0.887 12.7-174.1-105.6 129.2 -13.4 2.0 7.2 55 55 A L E -ab 3 24A 0 -32,-3.3 -30,-3.3 -2,-0.5 2,-0.4 -0.883 13.6-150.5-120.7 153.6 -17.1 1.6 8.3 56 56 A K E -ab 4 25A 16 -53,-2.5 -51,-2.7 -2,-0.3 2,-0.5 -0.985 12.4-173.2-124.4 129.2 -18.8 0.3 11.4 57 57 A V E -ab 5 26A 0 -32,-3.5 -30,-3.0 -2,-0.4 2,-0.7 -0.951 15.8-153.0-127.1 115.2 -22.2 -1.4 11.5 58 58 A D E >> - b 0 27A 32 -53,-0.5 4,-2.3 -2,-0.5 3,-0.9 -0.768 13.2-151.7 -82.3 115.4 -24.2 -2.4 14.5 59 59 A V T 34 S+ 0 0 16 -32,-2.2 7,-0.2 -2,-0.7 -1,-0.1 0.642 94.2 50.4 -67.6 -15.4 -26.3 -5.4 13.4 60 60 A D T 34 S+ 0 0 95 -33,-0.3 3,-0.3 1,-0.1 -1,-0.3 0.678 112.7 46.8 -91.9 -20.6 -29.1 -4.6 15.9 61 61 A E T <4 S+ 0 0 71 -3,-0.9 2,-0.4 1,-0.2 -2,-0.2 0.813 122.6 33.0 -87.3 -33.0 -29.2 -1.0 14.9 62 62 A V >X + 0 0 4 -4,-2.3 3,-1.8 1,-0.2 4,-0.7 -0.640 69.5 167.7-120.6 74.4 -29.3 -1.7 11.1 63 63 A E H >> + 0 0 114 -2,-0.4 4,-1.3 -3,-0.3 3,-1.1 0.872 69.4 65.4 -56.8 -41.1 -31.2 -5.0 10.7 64 64 A D H 34 S+ 0 0 70 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.552 102.9 48.0 -63.2 -9.0 -31.6 -4.7 6.9 65 65 A V H <> S+ 0 0 0 -3,-1.8 4,-1.3 3,-0.1 -1,-0.3 0.661 102.0 60.5-103.2 -20.9 -27.8 -5.0 6.4 66 66 A A H <<>S+ 0 0 20 -3,-1.1 5,-1.9 -4,-0.7 -2,-0.2 0.885 114.9 33.3 -74.9 -38.0 -27.1 -8.0 8.6 67 67 A A T ><5S+ 0 0 85 -4,-1.3 3,-0.7 3,-0.2 -1,-0.2 0.837 119.1 53.0 -83.9 -33.0 -29.3 -10.4 6.7 68 68 A E T 345S+ 0 0 98 -5,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.742 109.2 48.5 -77.6 -22.2 -28.8 -8.8 3.4 69 69 A Y T 3<5S- 0 0 38 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.374 112.1-116.7-100.6 5.2 -25.0 -9.0 3.6 70 70 A G T < 5 + 0 0 52 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.818 46.2 176.0 68.7 33.3 -25.0 -12.7 4.7 71 71 A I < + 0 0 31 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.582 9.5 164.2 -69.5 121.8 -23.5 -12.1 8.1 72 72 A S + 0 0 113 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.576 60.4 19.9-118.0 -14.7 -23.5 -15.5 9.9 73 73 A A S S- 0 0 44 18,-0.0 -1,-0.3 2,-0.0 18,-0.1 -0.980 86.4 -78.3-153.0 160.7 -21.1 -14.9 12.8 74 74 A M S S+ 0 0 36 -2,-0.3 18,-0.2 16,-0.1 2,-0.2 -0.922 97.4 25.5-125.3 144.1 -19.6 -12.0 14.7 75 75 A P S S+ 0 0 0 0, 0.0 16,-2.1 0, 0.0 2,-0.4 0.664 76.3 177.8 -71.9 163.1 -17.5 -10.1 14.3 76 76 A T E -CD 26 90A 2 -50,-1.3 -50,-2.8 14,-0.2 2,-0.5 -0.993 14.8-164.0-134.2 132.0 -17.4 -10.0 10.5 77 77 A F E -CD 25 89A 0 12,-2.9 12,-2.2 -2,-0.4 2,-0.3 -0.972 11.1-169.3-113.3 118.0 -15.2 -7.8 8.4 78 78 A Q E -CD 24 88A 0 -54,-1.7 -54,-2.8 -2,-0.5 2,-0.4 -0.855 7.9-149.7-111.0 149.1 -16.2 -7.5 4.8 79 79 A F E -CD 23 87A 0 8,-2.1 7,-3.4 -2,-0.3 8,-1.1 -0.953 10.4-166.1-123.5 128.7 -14.1 -5.9 2.1 80 80 A F E -CD 22 85A 8 -58,-2.9 -58,-2.3 -2,-0.4 2,-0.5 -0.956 9.1-171.6-124.3 133.8 -15.4 -4.1 -1.0 81 81 A K E > S- D 0 84A 78 3,-2.9 3,-1.0 -2,-0.4 -60,-0.1 -0.984 81.6 -11.1-122.1 119.6 -13.7 -3.1 -4.2 82 82 A N T 3 S- 0 0 133 -2,-0.5 -1,-0.1 -62,-0.5 3,-0.1 0.805 129.7 -55.0 63.5 31.7 -15.7 -0.9 -6.6 83 83 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 -69,-0.1 -1,-0.2 0.589 119.0 108.8 81.0 12.5 -18.9 -1.5 -4.7 84 84 A K E < S-D 81 0A 76 -3,-1.0 -3,-2.9 -69,-0.1 -1,-0.3 -0.958 75.4-108.9-126.4 136.4 -18.5 -5.2 -5.0 85 85 A K E +D 80 0A 92 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.437 39.4 164.9 -69.3 133.3 -17.5 -7.7 -2.2 86 86 A V E - 0 0 61 -7,-3.4 2,-0.3 1,-0.3 -6,-0.2 0.603 57.6 -0.2-122.1 -19.7 -14.0 -9.2 -2.5 87 87 A D E -D 79 0A 37 -8,-1.1 -8,-2.1 2,-0.0 -1,-0.3 -0.976 51.8-160.3-163.3 171.5 -13.1 -10.8 0.8 88 88 A E E -D 78 0A 70 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.972 3.3-164.9-162.6 142.2 -14.3 -11.5 4.3 89 89 A L E -D 77 0A 18 -12,-2.2 -12,-2.9 -2,-0.3 2,-0.4 -0.999 8.8-161.2-130.6 133.6 -12.9 -12.4 7.7 90 90 A T E +D 76 0A 73 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.958 54.3 33.7-114.9 134.3 -15.0 -13.8 10.6 91 91 A G S S- 0 0 25 -16,-2.1 2,-1.2 -2,-0.4 -14,-0.1 -0.185 93.6 -75.4 108.5 159.0 -13.7 -13.7 14.2 92 92 A A + 0 0 36 -18,-0.2 2,-0.8 -2,-0.1 -1,-0.1 -0.329 67.4 149.8 -90.4 55.7 -11.6 -11.3 16.2 93 93 A N > - 0 0 72 -2,-1.2 4,-1.9 1,-0.2 5,-0.1 -0.778 27.4-169.6 -91.4 107.0 -8.2 -12.3 14.7 94 94 A Q H > S+ 0 0 80 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.877 84.9 49.1 -65.8 -38.9 -6.0 -9.3 14.9 95 95 A E H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 112.2 46.8 -70.5 -42.3 -3.3 -10.8 12.7 96 96 A K H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.817 109.1 56.5 -67.5 -30.9 -5.7 -11.9 9.9 97 97 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.955 110.6 43.0 -66.8 -49.1 -7.4 -8.5 10.0 98 98 A K H X S+ 0 0 57 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.921 114.3 52.0 -54.9 -48.7 -4.1 -6.7 9.3 99 99 A A H X S+ 0 0 63 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.825 111.1 45.7 -65.0 -33.2 -3.1 -9.3 6.7 100 100 A M H X S+ 0 0 21 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.840 110.4 52.4 -81.8 -33.2 -6.4 -9.0 4.8 101 101 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-0.3 0.927 110.5 49.6 -62.8 -44.8 -6.4 -5.2 4.8 102 102 A K H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.909 104.1 60.3 -59.9 -45.1 -2.9 -5.2 3.4 103 103 A K H < S+ 0 0 133 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 119.1 25.1 -48.5 -44.1 -3.9 -7.7 0.6 104 104 A H H < 0 0 60 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.701 360.0 360.0-101.8 -20.8 -6.5 -5.3 -0.9 105 105 A A < 0 0 60 -4,-2.3 -53,-0.1 -5,-0.2 -85,-0.0 -0.248 360.0 360.0 -61.3 360.0 -5.4 -1.8 0.1