==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUL-06 2HSY . COMPND 2 MOLECULE: THIOREDOXIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR G.C.AMORIM,A.P.VALENTE,F.C.L.ALMEIDA . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.6 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 . 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 23.1 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 2 0 0 1 0 1 1 0 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 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 0 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 132 0, 0.0 52,-1.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.1 3.9 9.0 -6.6 2 2 A V E -a 53 0A 78 50,-0.1 2,-0.3 40,-0.0 52,-0.1 -0.922 360.0-162.4-112.1 131.3 1.2 8.7 -4.0 3 3 A T E -a 54 0A 60 50,-2.1 52,-1.1 -2,-0.5 2,-0.5 -0.757 12.0-142.2-110.9 159.5 -2.4 8.0 -4.8 4 4 A Q E -a 55 0A 64 -2,-0.3 2,-1.0 50,-0.2 3,-0.2 -0.974 12.9-147.0-121.8 116.3 -5.6 8.3 -2.9 5 5 A L + 0 0 4 50,-0.9 3,-0.1 -2,-0.5 49,-0.0 -0.738 36.6 149.5 -89.0 104.4 -8.3 5.7 -3.4 6 6 A K + 0 0 168 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.757 66.5 42.6 -99.5 -35.2 -11.7 7.3 -3.1 7 7 A S S >> S- 0 0 56 -3,-0.2 3,-1.5 1,-0.1 4,-0.7 -0.921 77.8-128.9-117.7 141.1 -13.6 5.0 -5.5 8 8 A A H >> S+ 0 0 43 -2,-0.4 4,-3.6 1,-0.3 3,-0.7 0.765 106.2 71.3 -55.4 -26.0 -13.3 1.2 -5.8 9 9 A S H 3> S+ 0 0 69 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.884 91.8 55.5 -58.6 -40.3 -12.8 1.7 -9.5 10 10 A E H <4 S+ 0 0 78 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.781 116.6 37.8 -63.8 -27.0 -9.3 3.2 -8.8 11 11 A Y H X S+ 0 0 108 -4,-3.6 3,-1.7 1,-0.2 4,-1.3 0.977 113.3 45.7 -58.0 -60.7 -10.3 -2.6 -9.2 13 13 A S H 3X S+ 0 0 65 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.741 108.4 61.6 -55.9 -23.1 -9.0 -1.3 -12.5 14 14 A A H 34 S+ 0 0 9 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 106.1 43.6 -74.8 -28.2 -5.6 -1.2 -10.8 15 15 A L H << S+ 0 0 39 -3,-1.7 -2,-0.2 -4,-1.1 -1,-0.2 0.648 111.5 58.0 -89.9 -18.0 -5.6 -5.0 -10.2 16 16 A A H < S+ 0 0 74 -4,-1.3 -2,-0.1 -5,-0.1 -3,-0.1 0.957 126.8 4.4 -74.3 -86.6 -6.9 -5.8 -13.7 17 17 A S S < S+ 0 0 116 -4,-0.8 2,-1.3 1,-0.1 3,-0.2 -0.001 95.5 128.5 -90.5 29.3 -4.5 -4.4 -16.3 18 18 A G + 0 0 14 1,-0.2 64,-0.7 -4,-0.1 4,-0.2 -0.668 15.9 153.2 -90.1 87.9 -2.1 -3.3 -13.6 19 19 A D + 0 0 123 -2,-1.3 -1,-0.2 62,-0.1 3,-0.1 0.854 54.9 76.3 -80.1 -37.3 1.3 -4.7 -14.7 20 20 A K S S- 0 0 150 -3,-0.2 2,-0.6 1,-0.2 31,-0.1 0.247 106.2 -64.7 -58.0-168.3 3.4 -2.1 -12.9 21 21 A L E -b 51 0A 2 29,-0.8 31,-2.5 57,-0.1 2,-0.6 -0.776 49.4-169.7 -91.1 119.9 3.9 -2.1 -9.1 22 22 A V E -bC 52 79A 6 57,-1.7 57,-2.0 -2,-0.6 2,-0.3 -0.914 5.9-170.6-113.0 107.9 0.7 -1.6 -7.1 23 23 A V E -bC 53 78A 8 29,-3.4 31,-3.0 -2,-0.6 2,-0.3 -0.757 2.2-163.0 -99.9 144.8 1.2 -1.0 -3.4 24 24 A V E -bC 54 77A 0 53,-1.4 53,-0.8 -2,-0.3 2,-0.4 -0.939 4.6-163.6-126.4 147.9 -1.6 -0.9 -0.8 25 25 A D E -bC 55 76A 20 29,-2.4 31,-2.3 -2,-0.3 2,-0.7 -0.935 3.6-174.3-137.1 113.2 -1.6 0.5 2.8 26 26 A F E +bC 56 75A 5 49,-1.6 49,-0.9 -2,-0.4 2,-0.3 -0.899 25.5 140.2-110.3 107.2 -4.3 -0.4 5.3 27 27 A F - 0 0 16 29,-1.6 31,-0.1 -2,-0.7 46,-0.1 -0.931 37.3-163.4-150.7 121.9 -4.0 1.5 8.6 28 28 A A - 0 0 31 -2,-0.3 29,-0.1 29,-0.2 30,-0.1 0.168 52.7-111.6 -88.2 18.2 -6.7 3.0 10.8 29 29 A T + 0 0 83 5,-0.1 -2,-0.0 28,-0.0 28,-0.0 0.959 60.6 157.5 49.6 62.9 -4.2 5.2 12.6 30 30 A W - 0 0 120 1,-0.1 2,-0.1 0, 0.0 -1,-0.0 0.971 62.1 -64.4 -77.7 -61.2 -4.5 3.3 15.9 31 31 A C S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.353 95.4 26.4 165.1 109.2 -1.1 4.2 17.5 32 32 A G S >> S+ 0 0 21 1,-0.1 3,-3.0 -2,-0.1 4,-2.4 -0.982 111.5 3.2 135.0-146.4 2.4 3.4 16.4 33 33 A P H 3> S+ 0 0 48 0, 0.0 4,-3.5 0, 0.0 5,-0.4 0.818 117.1 72.9 -46.3 -36.5 4.1 2.5 13.0 34 34 A C H 34 S+ 0 0 7 1,-0.2 -5,-0.1 2,-0.2 -7,-0.0 0.767 116.8 20.8 -51.8 -26.0 0.8 3.1 11.3 35 35 A K H <4 S+ 0 0 138 -3,-3.0 -1,-0.2 2,-0.1 3,-0.1 0.645 124.6 54.3-113.8 -28.7 1.5 6.8 12.0 36 36 A M H < S+ 0 0 126 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.794 111.4 45.8 -77.3 -29.9 5.3 6.8 12.5 37 37 A I S X S+ 0 0 18 -4,-3.5 4,-1.7 -5,-0.3 5,-0.5 0.509 87.6 93.1 -89.9 -6.2 5.9 5.1 9.1 38 38 A A H > S+ 0 0 28 -5,-0.4 4,-2.2 1,-0.2 5,-0.2 0.943 90.1 41.4 -51.1 -55.4 3.5 7.4 7.3 39 39 A P H > S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.874 111.8 59.0 -61.6 -39.0 6.3 9.8 6.3 40 40 A M H >> S+ 0 0 52 -4,-0.4 4,-3.1 2,-0.2 3,-0.6 0.983 114.7 30.4 -53.1 -75.9 8.7 7.0 5.5 41 41 A I H 3X S+ 0 0 21 -4,-1.7 4,-1.4 1,-0.3 -1,-0.2 0.883 123.0 52.0 -51.7 -43.2 6.6 5.2 2.8 42 42 A E H 3< S+ 0 0 114 -4,-2.2 4,-0.3 -5,-0.5 -1,-0.3 0.843 112.8 45.7 -63.9 -33.6 5.1 8.6 1.8 43 43 A K H X< S+ 0 0 135 -4,-2.9 3,-1.6 -3,-0.6 -2,-0.2 0.891 108.9 53.9 -76.2 -41.2 8.6 10.0 1.5 44 44 A F H >X S+ 0 0 41 -4,-3.1 3,-3.0 1,-0.3 4,-1.4 0.761 90.6 77.9 -64.3 -24.0 10.0 7.0 -0.4 45 45 A A T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.3 6,-0.2 0.807 91.5 53.5 -54.9 -29.1 7.1 7.6 -2.9 46 46 A E T <4 S+ 0 0 176 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.451 103.0 60.5 -84.5 -1.8 9.2 10.4 -4.2 47 47 A Q T <4 S+ 0 0 111 -3,-3.0 -2,-0.2 -4,-0.1 -1,-0.2 0.870 94.7 65.2 -90.2 -46.5 12.1 8.0 -4.6 48 48 A Y < - 0 0 25 -4,-1.4 3,-0.1 1,-0.1 53,-0.0 -0.211 65.9-149.6 -73.9 168.0 10.6 5.5 -7.0 49 49 A S S S+ 0 0 96 1,-0.1 -1,-0.1 -48,-0.0 -4,-0.0 0.612 91.4 22.8-111.6 -22.7 9.6 6.3 -10.6 50 50 A D S S+ 0 0 51 2,-0.0 -29,-0.8 -49,-0.0 2,-0.5 -0.433 81.1 131.6-146.0 66.4 6.7 3.9 -11.0 51 51 A A E - b 0 21A 5 -6,-0.2 2,-0.9 -3,-0.1 -29,-0.2 -0.971 42.8-148.9-124.6 117.6 5.2 2.9 -7.7 52 52 A A E - b 0 22A 25 -31,-2.5 -29,-3.4 -2,-0.5 2,-0.9 -0.750 11.5-162.7 -89.7 104.1 1.5 3.1 -7.1 53 53 A F E -ab 2 23A 17 -52,-1.0 -50,-2.1 -2,-0.9 2,-0.8 -0.765 3.4-165.1 -89.9 106.9 0.8 3.9 -3.4 54 54 A Y E -ab 3 24A 26 -31,-3.0 -29,-2.4 -2,-0.9 2,-0.4 -0.821 5.3-158.4 -96.9 109.1 -2.8 3.0 -2.5 55 55 A K E +ab 4 25A 77 -52,-1.1 -50,-0.9 -2,-0.8 2,-0.3 -0.738 20.2 163.1 -89.9 129.6 -3.8 4.6 0.7 56 56 A L E + b 0 26A 1 -31,-2.3 -29,-1.6 -2,-0.4 -50,-0.1 -0.991 13.6 171.3-148.3 136.8 -6.8 3.0 2.6 57 57 A D - 0 0 24 -2,-0.3 -29,-0.2 -31,-0.2 -1,-0.1 0.639 45.1 -98.1-107.3 -96.7 -8.1 3.3 6.1 58 58 A V S > S+ 0 0 60 -31,-0.1 4,-1.3 -30,-0.1 3,-0.2 0.189 104.2 25.0-156.2 -69.9 -11.4 1.7 7.1 59 59 A D T 4 S+ 0 0 145 1,-0.2 -31,-0.0 2,-0.2 4,-0.0 0.821 111.2 69.0 -79.8 -33.5 -14.5 4.0 7.3 60 60 A E T 4 S+ 0 0 116 1,-0.1 -1,-0.2 2,-0.1 -4,-0.0 0.800 125.0 9.8 -55.1 -29.4 -13.0 6.5 4.8 61 61 A V T 4 + 0 0 17 -3,-0.2 -2,-0.2 -54,-0.0 -1,-0.1 0.744 69.0 178.8-113.0 -67.1 -13.5 3.8 2.2 62 62 A S < + 0 0 70 -4,-1.3 -3,-0.1 1,-0.1 -2,-0.1 0.334 69.4 80.8 75.3 -7.8 -15.5 0.9 3.5 63 63 A D S > S+ 0 0 80 3,-0.1 4,-1.5 2,-0.1 5,-0.2 0.926 98.1 27.2 -90.4 -64.3 -15.1 -0.7 0.1 64 64 A V H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.980 120.2 53.6 -62.9 -60.0 -11.7 -2.3 -0.0 65 65 A A H 4 S+ 0 0 23 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.792 105.9 59.4 -46.2 -31.1 -11.3 -2.9 3.7 66 66 A Q H 4 S+ 0 0 142 -8,-0.1 -1,-0.2 3,-0.1 -2,-0.2 0.980 120.2 21.8 -63.6 -58.6 -14.6 -4.7 3.5 67 67 A K H < S+ 0 0 186 -4,-1.5 2,-2.0 -3,-0.3 -2,-0.2 0.964 118.2 63.9 -74.3 -55.7 -13.5 -7.3 0.9 68 68 A A S < S- 0 0 26 -4,-2.8 -1,-0.2 -5,-0.2 2,-0.0 -0.505 86.5-148.9 -73.4 83.0 -9.8 -7.2 1.6 69 69 A E - 0 0 174 -2,-2.0 2,-0.4 -3,-0.1 -3,-0.1 -0.310 9.8-133.7 -56.5 128.0 -9.8 -8.4 5.2 70 70 A V + 0 0 61 -5,-0.3 -1,-0.1 1,-0.1 5,-0.0 -0.718 30.4 170.2 -89.6 132.9 -7.0 -6.8 7.2 71 71 A S + 0 0 88 -2,-0.4 2,-0.3 3,-0.0 -1,-0.1 -0.297 57.9 36.8-137.0 50.9 -4.9 -9.0 9.5 72 72 A S S S- 0 0 36 -46,-0.1 3,-0.3 3,-0.1 18,-0.1 -0.901 84.1 -86.4-170.3-163.7 -2.0 -6.8 10.6 73 73 A M S S+ 0 0 109 1,-1.3 2,-0.2 17,-0.3 -39,-0.1 -0.481 114.9 3.7-170.1 90.9 -0.9 -3.3 11.6 74 74 A P S S- 0 0 8 0, 0.0 -1,-1.3 0, 0.0 2,-0.4 0.549 86.3-152.1 -81.9-162.5 -0.3 -1.9 9.2 75 75 A T E +C 26 0A 8 -49,-0.9 -49,-1.6 -3,-0.3 2,-0.4 -0.892 17.2 174.6-137.1 105.0 -1.0 -4.2 6.2 76 76 A L E +CD 25 88A 19 12,-0.8 12,-3.0 -2,-0.4 2,-0.3 -0.900 2.1 177.0-114.0 140.7 0.9 -3.7 2.9 77 77 A I E -C 24 0A 7 -53,-0.8 -53,-1.4 -2,-0.4 2,-0.5 -0.952 19.5-139.0-138.6 156.8 0.7 -5.8 -0.2 78 78 A F E -C 23 0A 2 -2,-0.3 7,-1.5 -55,-0.2 8,-1.2 -0.974 11.3-164.9-124.1 125.5 2.2 -5.8 -3.7 79 79 A Y E +CE 22 84A 26 -57,-2.0 -57,-1.7 -2,-0.5 5,-0.1 -0.927 24.2 151.4-110.9 124.4 0.4 -6.6 -6.9 80 80 A K S S+ 0 0 100 3,-0.7 -1,-0.1 -2,-0.5 4,-0.1 0.681 83.0 25.0-116.6 -38.3 2.3 -7.4 -10.1 81 81 A G S S- 0 0 44 2,-0.6 -62,-0.1 -64,-0.0 -66,-0.1 -0.254 120.1 -86.1-123.5 45.0 -0.1 -9.7 -12.0 82 82 A G S S+ 0 0 25 -64,-0.7 2,-0.3 -68,-0.2 -67,-0.1 0.791 108.2 94.7 57.8 27.0 -3.5 -8.7 -10.6 83 83 A K S S- 0 0 151 -5,-0.1 -3,-0.7 0, 0.0 -2,-0.6 -0.932 86.5-108.9-152.9 124.7 -2.7 -11.2 -7.8 84 84 A E B +E 79 0A 83 -2,-0.3 -5,-0.2 1,-0.2 3,-0.1 -0.331 58.5 141.5 -54.7 111.0 -1.2 -10.7 -4.3 85 85 A V + 0 0 87 -7,-1.5 2,-0.6 -2,-0.3 -1,-0.2 0.689 64.1 38.3-120.9 -46.9 2.2 -12.3 -4.7 86 86 A T S S+ 0 0 50 -8,-1.2 -8,-0.1 2,-0.0 2,-0.1 -0.681 76.0 172.7-113.5 77.8 4.7 -10.3 -2.7 87 87 A R - 0 0 123 -2,-0.6 -10,-0.3 -10,-0.2 2,-0.1 -0.405 17.1-166.8 -81.7 160.1 2.9 -9.1 0.4 88 88 A V B +D 76 0A 45 -12,-3.0 -12,-0.8 -2,-0.1 2,-0.7 -0.612 16.3 162.5-151.0 83.5 4.6 -7.3 3.3 89 89 A V + 0 0 48 -14,-0.2 -14,-0.1 -2,-0.1 2,-0.1 -0.855 45.4 71.8-109.4 99.4 2.5 -7.0 6.5 90 90 A G S S- 0 0 37 -2,-0.7 -17,-0.3 2,-0.1 2,-0.1 -0.303 86.3 -75.6-160.8-111.0 4.7 -6.1 9.5 91 91 A A S S+ 0 0 66 -2,-0.1 -2,-0.1 1,-0.1 -57,-0.0 -0.374 70.9 102.7-179.7 91.8 6.5 -3.0 10.5 92 92 A N > - 0 0 86 1,-0.1 3,-0.6 -2,-0.1 4,-0.2 -0.713 48.8-145.9-178.2 123.4 9.7 -1.7 9.0 93 93 A P T >> S+ 0 0 43 0, 0.0 3,-4.2 0, 0.0 4,-0.6 0.970 100.3 58.8 -57.6 -59.4 10.5 1.1 6.5 94 94 A A H 3> S+ 0 0 44 1,-0.3 4,-1.7 2,-0.2 5,-0.4 0.766 92.3 72.6 -42.1 -30.4 13.4 -0.6 4.7 95 95 A A H <> S+ 0 0 31 -3,-0.6 4,-0.5 1,-0.2 -1,-0.3 0.714 92.6 56.3 -60.6 -20.3 10.9 -3.3 3.9 96 96 A I H <>>S+ 0 0 7 -3,-4.2 4,-3.8 -4,-0.2 5,-0.5 0.896 106.9 46.2 -78.8 -43.0 9.4 -0.9 1.4 97 97 A K H X5S+ 0 0 98 -4,-0.6 4,-3.3 -3,-0.3 5,-0.4 0.992 115.8 42.4 -62.6 -64.4 12.6 -0.3 -0.6 98 98 A Q H <5S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.768 123.6 43.7 -54.6 -25.8 13.7 -4.0 -0.9 99 99 A A H >X5S+ 0 0 13 -4,-0.5 4,-2.1 -5,-0.4 3,-0.9 0.957 121.4 33.1 -83.4 -63.3 10.0 -4.7 -1.6 100 100 A I H 3X5S+ 0 0 3 -4,-3.8 4,-2.3 1,-0.3 -3,-0.2 0.912 118.2 55.0 -59.9 -44.9 9.0 -1.9 -4.0 101 101 A A H 3<