==== 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 ELECTRON TRANSPORT 28-DEC-06 2OE3 . COMPND 2 MOLECULE: THIOREDOXIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.BAO,Y.R.ZHANG,C.Z.ZHOU,Y.X.CHEN . 210 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.2 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 . 2 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 . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 2 0 0 2 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 4 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 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 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 S 0 0 133 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -43.7 6.5 30.5 -13.9 2 0 A S > + 0 0 72 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.794 360.0 62.9 -67.9 -29.1 3.6 29.1 -11.9 3 1 A Y G > S+ 0 0 12 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.829 94.3 61.1 -67.9 -28.5 4.3 25.8 -13.7 4 2 A T G 3 S+ 0 0 110 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.761 97.4 58.3 -68.3 -26.1 7.8 25.7 -12.1 5 3 A S G < S+ 0 0 92 -3,-0.8 -1,-0.2 -4,-0.5 2,-0.2 0.535 79.9 113.9 -82.0 -8.4 6.3 25.6 -8.5 6 4 A I S < S- 0 0 21 -3,-1.1 51,-0.1 -4,-0.3 2,-0.1 -0.465 76.0-109.5 -72.8 130.8 4.3 22.4 -9.2 7 5 A T - 0 0 81 49,-0.5 51,-2.6 -2,-0.2 2,-0.4 -0.360 31.0-142.5 -58.5 133.1 5.4 19.3 -7.2 8 6 A K B -a 58 0A 73 49,-0.2 2,-0.5 -2,-0.1 51,-0.2 -0.858 5.6-135.7 -99.7 135.9 7.2 16.7 -9.3 9 7 A L + 0 0 5 49,-2.7 51,-0.4 -2,-0.4 3,-0.1 -0.817 30.7 168.0 -84.5 128.8 6.7 13.0 -8.7 10 8 A T + 0 0 64 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.517 56.9 20.6-123.6 -12.5 10.2 11.4 -8.8 11 9 A N S > S- 0 0 67 53,-0.1 4,-1.5 55,-0.1 -1,-0.2 -0.969 78.9-102.7-151.2 168.4 9.7 7.8 -7.4 12 10 A L H > S+ 0 0 54 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.728 114.9 58.3 -66.6 -26.8 7.0 5.2 -6.8 13 11 A T H > S+ 0 0 93 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.973 107.0 46.8 -66.8 -53.6 6.7 5.9 -3.1 14 12 A E H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.837 112.8 53.6 -51.2 -37.3 5.8 9.5 -3.7 15 13 A F H X S+ 0 0 3 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.952 112.0 40.7 -65.3 -53.7 3.3 8.3 -6.3 16 14 A R H X S+ 0 0 128 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.900 115.8 52.2 -62.1 -39.8 1.6 5.8 -3.9 17 15 A N H X S+ 0 0 67 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.908 105.9 54.5 -59.8 -46.1 1.7 8.4 -1.1 18 16 A L H X S+ 0 0 14 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.901 110.6 46.4 -51.4 -44.3 0.2 11.0 -3.4 19 17 A I H < S+ 0 0 23 -4,-1.7 66,-0.5 1,-0.2 3,-0.3 0.858 116.0 43.8 -72.6 -36.3 -2.7 8.6 -4.0 20 18 A K H < S+ 0 0 180 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 116.3 46.5 -78.3 -27.6 -3.2 7.7 -0.3 21 19 A Q H < S+ 0 0 140 -4,-2.5 2,-0.4 -5,-0.2 -2,-0.2 0.425 102.5 65.1-101.6 1.7 -2.9 11.3 1.0 22 20 A N < - 0 0 35 -4,-0.7 63,-0.6 -3,-0.3 3,-0.1 -0.988 59.5-152.9-132.3 129.1 -5.2 13.3 -1.4 23 21 A D S S+ 0 0 117 -2,-0.4 61,-2.6 1,-0.2 2,-0.4 0.814 91.0 14.9 -60.4 -40.5 -8.9 13.1 -1.9 24 22 A K E S+B 83 0A 52 29,-0.3 31,-2.6 59,-0.2 2,-0.3 -0.994 78.0 172.1-141.0 134.0 -8.7 14.3 -5.5 25 23 A L E -Bc 82 55A 0 57,-2.3 57,-2.3 -2,-0.4 2,-0.4 -0.983 21.9-160.3-144.8 160.2 -5.6 14.5 -7.7 26 24 A V E -Bc 81 56A 0 29,-2.3 31,-2.3 -2,-0.3 2,-0.6 -0.995 9.6-160.0-137.5 131.0 -4.3 15.1 -11.2 27 25 A I E -Bc 80 57A 0 53,-2.6 53,-2.4 -2,-0.4 2,-0.9 -0.969 9.5-150.4-114.4 117.6 -0.9 14.0 -12.5 28 26 A D E -Bc 79 58A 4 29,-2.9 31,-2.9 -2,-0.6 2,-0.7 -0.775 10.8-158.7 -85.1 103.6 0.4 15.9 -15.5 29 27 A F E +Bc 78 59A 0 49,-3.1 49,-1.6 -2,-0.9 2,-0.2 -0.803 29.9 155.3 -86.2 112.8 2.6 13.3 -17.4 30 28 A Y E - c 0 60A 23 29,-2.1 31,-2.5 -2,-0.7 2,-0.3 -0.749 34.2-145.6-131.1 170.4 5.0 15.4 -19.6 31 29 A A > - 0 0 1 -2,-0.2 3,-1.6 29,-0.2 7,-0.1 -0.983 25.7-124.0-136.0 152.0 8.3 15.4 -21.3 32 30 A T T 3 S+ 0 0 84 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.805 112.8 52.3 -63.8 -31.4 10.8 18.2 -21.9 33 31 A W T 3 S+ 0 0 28 105,-0.2 2,-0.8 103,-0.0 -1,-0.3 0.447 85.9 108.7 -79.3 -1.1 10.8 17.6 -25.7 34 32 A a <> - 0 0 0 -3,-1.6 4,-1.5 1,-0.2 -3,-0.1 -0.694 45.7-174.7 -94.3 107.4 7.0 17.7 -25.8 35 33 A G H > S+ 0 0 16 -2,-0.8 4,-2.1 1,-0.2 3,-0.4 0.943 85.5 48.6 -62.2 -54.4 5.6 20.9 -27.5 36 34 A P H > S+ 0 0 27 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.815 107.7 58.8 -60.7 -29.3 1.9 20.3 -26.8 37 35 A a H 4 S+ 0 0 4 2,-0.2 3,-0.5 1,-0.2 4,-0.5 0.916 105.6 47.7 -62.2 -45.5 2.8 19.6 -23.2 38 36 A K H >< S+ 0 0 96 -4,-1.5 3,-1.6 -3,-0.4 -1,-0.2 0.910 107.2 57.6 -61.7 -40.7 4.4 23.1 -23.0 39 37 A M H 3< S+ 0 0 127 -4,-2.1 4,-0.4 1,-0.3 -1,-0.2 0.765 101.4 57.2 -59.9 -27.1 1.2 24.6 -24.6 40 38 A M T 3X S+ 0 0 4 -4,-1.1 4,-2.5 -3,-0.5 3,-0.4 0.617 81.9 90.1 -77.8 -15.6 -0.9 23.1 -21.8 41 39 A Q H <> S+ 0 0 59 -3,-1.6 4,-3.0 -4,-0.5 5,-0.2 0.916 86.3 46.4 -54.8 -50.3 1.1 24.9 -19.0 42 40 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.855 113.8 51.3 -63.2 -30.8 -1.1 28.1 -18.9 43 41 A H H > S+ 0 0 81 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.902 111.1 46.3 -69.2 -43.4 -4.2 25.8 -18.9 44 42 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.910 109.4 55.8 -62.6 -42.7 -2.8 23.8 -16.0 45 43 A T H X S+ 0 0 33 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.936 110.5 45.1 -51.7 -53.2 -1.9 27.0 -14.1 46 44 A K H X S+ 0 0 126 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.877 110.3 53.1 -61.4 -42.0 -5.5 28.2 -14.4 47 45 A L H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.902 106.3 53.4 -62.6 -40.7 -7.0 24.8 -13.3 48 46 A I H < S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.3 45.5 -58.2 -44.4 -4.8 24.8 -10.2 49 47 A Q H < S+ 0 0 121 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.937 117.3 44.1 -61.8 -46.2 -6.2 28.3 -9.4 50 48 A A H < S+ 0 0 57 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.670 112.5 50.1 -80.1 -18.3 -9.7 27.2 -10.1 51 49 A Y >< + 0 0 44 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.2 -0.632 56.9 164.3-125.7 70.4 -9.8 23.8 -8.3 52 50 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.687 75.9 58.0 -65.5 -19.3 -8.4 24.4 -4.8 53 51 A D T 3 S+ 0 0 127 2,-0.1 2,-0.5 -30,-0.0 -29,-0.3 0.391 93.8 80.0 -90.9 3.5 -9.8 21.0 -3.6 54 52 A V S < S- 0 0 14 -3,-1.9 2,-0.6 -6,-0.2 -29,-0.2 -0.930 76.6-136.0-112.2 131.1 -7.8 19.0 -6.2 55 53 A R E - c 0 25A 122 -31,-2.6 -29,-2.3 -2,-0.5 2,-0.5 -0.797 20.8-159.8 -87.6 121.3 -4.1 18.3 -5.7 56 54 A F E + c 0 26A 16 -2,-0.6 -49,-0.5 -31,-0.2 2,-0.3 -0.903 18.9 159.5-105.6 130.9 -2.0 18.9 -8.9 57 55 A V E - c 0 27A 4 -31,-2.3 -29,-2.9 -2,-0.5 2,-0.3 -0.907 24.6-138.4-136.4 166.9 1.4 17.3 -9.5 58 56 A K E -ac 8 28A 16 -51,-2.6 -49,-2.7 -2,-0.3 2,-0.4 -0.905 6.4-159.2-126.8 158.1 3.6 16.7 -12.6 59 57 A C E - c 0 29A 0 -31,-2.9 -29,-2.1 -2,-0.3 2,-0.7 -0.960 13.8-143.6-142.2 117.6 5.7 13.8 -13.7 60 58 A D E >> - c 0 30A 13 -51,-0.4 4,-2.3 -2,-0.4 3,-0.5 -0.747 14.7-153.1 -80.1 110.2 8.6 13.9 -16.2 61 59 A V T 34 S+ 0 0 15 -31,-2.5 7,-0.2 -2,-0.7 -1,-0.1 0.722 92.3 51.5 -61.3 -25.7 8.2 10.5 -18.0 62 60 A D T 34 S+ 0 0 84 -32,-0.3 -1,-0.2 1,-0.1 -31,-0.1 0.777 115.1 41.1 -82.2 -30.6 12.0 10.4 -18.9 63 61 A E T <4 S+ 0 0 86 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.717 128.9 30.6 -86.1 -23.9 13.1 11.1 -15.3 64 62 A S >X + 0 0 6 -4,-2.3 4,-1.8 1,-0.1 3,-0.8 -0.421 67.8 155.4-130.7 59.6 10.5 8.8 -13.8 65 63 A P H 3> S+ 0 0 71 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.791 71.6 61.2 -61.1 -27.9 9.9 6.0 -16.4 66 64 A D H 3> S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.882 106.4 44.7 -68.4 -36.9 8.7 3.6 -13.7 67 65 A I H <> S+ 0 0 2 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.915 113.3 50.3 -68.9 -45.0 5.8 5.8 -12.8 68 66 A A H <>S+ 0 0 10 -4,-1.8 5,-2.7 1,-0.2 -2,-0.2 0.894 111.2 50.8 -58.5 -40.8 4.9 6.4 -16.4 69 67 A K H ><5S+ 0 0 151 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.932 106.9 52.4 -62.9 -45.6 5.0 2.6 -17.0 70 68 A E H 3<5S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.864 112.6 45.3 -61.3 -33.6 2.7 1.9 -14.0 71 69 A C T 3<5S- 0 0 11 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.282 110.8-123.9 -92.2 10.9 0.2 4.4 -15.4 72 70 A E T < 5 - 0 0 145 -3,-1.9 2,-0.9 1,-0.2 -3,-0.2 0.907 39.5-177.1 43.5 52.2 0.6 2.9 -19.0 73 71 A V < + 0 0 20 -5,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.711 18.7 154.2 -81.6 108.3 1.5 6.4 -20.3 74 72 A T + 0 0 48 -2,-0.9 125,-2.1 1,-0.2 2,-0.3 0.376 58.2 45.6-118.3 -1.1 1.9 5.8 -24.1 75 73 A A S S- 0 0 0 123,-0.2 18,-0.2 122,-0.1 -1,-0.2 -0.997 87.9 -95.3-143.7 145.8 1.1 9.3 -25.4 76 74 A M B S+E 181 0B 2 105,-2.8 105,-1.9 -2,-0.3 18,-0.2 -0.891 97.9 25.9-115.6 137.9 2.2 12.8 -24.4 77 75 A P S S+ 0 0 0 0, 0.0 16,-2.7 0, 0.0 2,-0.4 0.707 75.6 170.5 -76.6 162.9 0.8 14.7 -22.6 78 76 A T E -BD 29 92A 1 -49,-1.6 -49,-3.1 14,-0.2 2,-0.6 -0.994 18.5-157.4-132.9 134.9 -1.3 12.4 -20.4 79 77 A F E -BD 28 91A 0 12,-3.1 12,-2.9 -2,-0.4 2,-0.4 -0.950 8.8-158.3-112.7 118.7 -3.3 13.5 -17.4 80 78 A V E -BD 27 90A 4 -53,-2.4 -53,-2.6 -2,-0.6 2,-0.4 -0.802 8.3-153.4 -97.8 132.9 -4.1 10.8 -14.9 81 79 A L E -BD 26 89A 8 8,-2.8 7,-2.9 -2,-0.4 8,-1.2 -0.856 12.6-175.6-109.2 144.9 -7.0 11.5 -12.5 82 80 A G E +BD 25 87A 0 -57,-2.3 -57,-2.3 -2,-0.4 2,-0.3 -0.956 5.9 177.5-141.3 152.8 -7.4 10.1 -9.0 83 81 A K E > -BD 24 86A 71 3,-2.6 3,-1.2 -2,-0.3 -59,-0.2 -0.936 64.2 -4.5-160.9 132.5 -10.1 10.2 -6.3 84 82 A D T 3 S- 0 0 113 -61,-2.6 -61,-0.1 -2,-0.3 -60,-0.1 0.847 130.9 -43.7 51.5 44.4 -10.6 8.6 -2.9 85 83 A G T 3 S+ 0 0 43 -63,-0.6 2,-0.3 -66,-0.5 -1,-0.3 0.572 121.0 83.3 83.6 11.2 -7.4 6.5 -3.0 86 84 A Q E < S-D 83 0A 132 -3,-1.2 -3,-2.6 -67,-0.1 2,-0.4 -0.993 76.9-114.1-142.0 152.5 -7.6 5.1 -6.6 87 85 A L E -D 82 0A 62 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.693 31.6-175.9 -79.8 136.2 -6.7 6.3 -10.1 88 86 A I E - 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