==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-AUG-01 1GL8 . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR J.L.NEIRA,C.GONZALEZ,C.TOIRON,G.DE-PRAT-GAY,M.RICO . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 77.9 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 . 12 11.5 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 . 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 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 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 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 14 A V 0 0 29 0, 0.0 3,-0.2 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 154.7 -4.3 -3.5 -9.3 2 15 A Q - 0 0 129 1,-0.3 2,-0.2 51,-0.0 51,-0.0 0.807 360.0 -22.5 -80.9 -43.3 -4.8 -0.6 -11.7 3 16 A D S S- 0 0 48 2,-0.0 2,-0.4 53,-0.0 -1,-0.3 -0.774 70.1-132.4-173.2 116.8 -6.4 1.4 -8.9 4 17 A V B +a 55 0A 0 50,-2.3 52,-1.7 -2,-0.2 2,-0.3 -0.701 36.6 153.7 -82.8 132.4 -8.0 -0.0 -5.7 5 18 A N > - 0 0 27 -2,-0.4 4,-2.5 50,-0.1 55,-0.2 -0.836 61.9 -71.9-137.2-175.9 -11.5 1.3 -4.7 6 19 A D H > S+ 0 0 61 53,-0.5 4,-0.9 -2,-0.3 54,-0.1 0.873 131.0 43.8 -53.8 -40.5 -14.4 -0.2 -2.7 7 20 A S H > S+ 0 0 81 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.960 117.9 43.1 -69.5 -53.5 -15.4 -2.7 -5.5 8 21 A S H >>S+ 0 0 10 1,-0.2 4,-3.5 2,-0.2 5,-0.8 0.738 98.2 77.9 -68.4 -19.1 -11.9 -3.9 -6.3 9 22 A W H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-1.0 0.966 100.6 37.7 -54.0 -52.9 -10.9 -4.0 -2.5 10 23 A K H <5S+ 0 0 115 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.902 122.4 45.3 -68.0 -31.4 -12.8 -7.4 -2.0 11 24 A E H <5S+ 0 0 113 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.888 128.6 19.1 -82.8 -46.8 -11.7 -8.7 -5.4 12 25 A F H <5S+ 0 0 79 -4,-3.5 -3,-0.2 2,-0.1 -2,-0.1 0.946 133.3 34.3 -92.3 -46.6 -8.0 -7.8 -5.6 13 26 A V T ><> - 0 0 0 -2,-0.3 3,-1.4 30,-0.2 4,-0.5 -0.921 21.9-131.4-134.0 138.6 -4.2 10.9 -2.4 27 40 A P G >4 S+ 0 0 62 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.923 113.3 56.4 -55.1 -39.1 -4.6 13.2 -5.5 28 41 A W G 34 S+ 0 0 183 1,-0.3 -3,-0.0 3,-0.1 0, 0.0 0.589 98.0 61.0 -67.6 -15.6 -3.6 16.2 -3.3 29 42 A a G <4 S- 0 0 55 -3,-1.4 -1,-0.3 1,-0.4 43,-0.0 0.632 118.1-118.8 -76.9 -17.5 -0.3 14.2 -2.5 30 43 A G << - 0 0 29 -3,-1.8 2,-1.0 -4,-0.5 -1,-0.4 -0.785 67.5 -18.7 108.4-150.5 0.4 14.5 -6.3 31 44 A P S > S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.016 83.0 151.4 -83.9 45.4 0.7 11.5 -8.7 32 45 A a G >> + 0 0 18 -2,-1.0 4,-2.2 -6,-0.5 3,-1.2 0.615 52.6 75.2 -58.7 -14.5 1.4 9.3 -5.6 33 46 A K G 34 S+ 0 0 58 -3,-0.3 -1,-0.3 1,-0.3 -10,-0.1 0.946 100.5 40.9 -61.9 -50.9 -0.0 6.2 -7.2 34 47 A L G <4 S+ 0 0 147 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.300 114.1 56.8 -83.4 7.1 3.1 5.7 -9.4 35 48 A I T <4 + 0 0 96 -3,-1.2 5,-0.2 -4,-0.2 -2,-0.2 0.857 58.3 151.6 -98.0 -59.5 5.4 6.7 -6.5 36 49 A A X - 0 0 5 -4,-2.2 4,-3.5 3,-0.1 5,-0.3 0.700 33.1-169.2 25.5 60.0 4.3 4.1 -3.8 37 50 A P H > + 0 0 50 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.744 69.2 20.0 -50.3 -81.6 7.9 4.4 -2.4 38 51 A V H > S+ 0 0 10 52,-0.4 4,-2.7 1,-0.2 5,-0.2 0.888 125.5 57.8 -56.6 -35.7 8.6 1.6 0.3 39 52 A I H > S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 102.3 53.7 -63.8 -37.7 5.7 -0.4 -1.2 40 53 A D H X S+ 0 0 78 -4,-3.5 4,-1.2 -3,-0.4 -1,-0.2 0.895 111.8 45.9 -62.9 -38.3 7.4 -0.4 -4.6 41 54 A E H X S+ 0 0 56 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.896 106.2 56.5 -72.8 -40.8 10.5 -1.8 -2.9 42 55 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.813 100.8 64.0 -62.0 -20.8 8.5 -4.4 -0.9 43 56 A A H < S+ 0 0 27 -4,-1.5 7,-0.2 2,-0.2 -2,-0.2 0.974 111.1 31.9 -64.9 -57.7 7.3 -5.6 -4.4 44 57 A K H >< S+ 0 0 131 -4,-1.2 3,-0.8 1,-0.2 -2,-0.2 0.839 119.3 56.1 -71.9 -29.0 10.8 -6.6 -5.6 45 58 A E H 3< S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.886 120.3 29.1 -66.2 -45.2 11.8 -7.6 -2.0 46 59 A Y T 3X S+ 0 0 26 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 -0.344 81.4 176.7-117.3 51.6 8.9 -10.0 -1.7 47 60 A S B <4 S+e 50 0B 83 -3,-0.8 2,-0.7 1,-0.2 -3,-0.1 -0.388 78.8 0.6 -60.6 105.6 8.4 -11.0 -5.3 48 61 A G T 4 S+ 0 0 67 2,-0.5 -1,-0.2 -2,-0.2 -2,-0.1 -0.453 118.6 81.4 108.9 -51.2 5.6 -13.7 -5.2 49 62 A K T 4 S+ 0 0 103 -2,-0.7 2,-0.4 -6,-0.1 -2,-0.2 0.806 96.9 39.1 -44.7 -47.5 5.2 -13.4 -1.4 50 63 A I B < -e 47 0B 14 -4,-2.1 2,-0.6 -7,-0.2 -2,-0.5 -0.915 64.2-139.9-125.3 151.8 3.0 -10.3 -1.7 51 64 A A E - b 0 20A 15 -32,-2.5 -30,-2.7 -2,-0.4 2,-0.5 -0.907 29.1-150.6-104.7 108.6 0.3 -8.7 -3.8 52 65 A V E + b 0 21A 45 -2,-0.6 2,-0.3 -32,-0.2 -30,-0.2 -0.803 21.5 173.2 -92.5 115.6 1.1 -5.0 -4.1 53 66 A Y E - b 0 22A 17 -32,-2.7 -30,-3.0 -2,-0.5 2,-0.4 -0.901 23.7-149.1-123.6 158.3 -1.8 -2.5 -4.4 54 67 A K E - b 0 23A 57 -2,-0.3 -50,-2.3 -32,-0.2 2,-0.6 -0.977 16.0-148.1-135.9 110.2 -2.4 1.2 -4.5 55 68 A L E -ab 4 24A 0 -32,-3.1 -30,-2.1 -2,-0.4 2,-1.2 -0.778 10.1-139.8 -85.8 124.8 -5.7 2.7 -3.2 56 69 A N E >> - b 0 25A 14 -52,-1.7 3,-1.2 -2,-0.6 4,-1.0 -0.593 17.7-164.0 -80.8 92.7 -7.2 5.9 -4.7 57 70 A T G >4 S+ 0 0 16 -32,-2.1 3,-1.5 -2,-1.2 7,-0.2 0.929 87.1 51.0 -50.9 -46.4 -8.3 7.5 -1.4 58 71 A D G 34 S+ 0 0 104 1,-0.3 -1,-0.3 -33,-0.3 -32,-0.1 0.683 111.7 49.9 -62.7 -25.6 -10.7 10.0 -3.2 59 72 A E G <4 S+ 0 0 88 -3,-1.2 -53,-0.5 1,-0.2 -1,-0.3 0.542 112.1 49.2 -88.4 -17.7 -12.2 7.0 -5.1 60 73 A A S+ 0 0 24 -2,-0.2 4,-2.8 -5,-0.1 5,-0.2 0.585 108.3 47.5-132.2 -46.6 -15.4 3.7 2.6 63 76 A I H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.984 113.1 47.9 -62.8 -59.0 -12.1 1.9 2.7 64 77 A A H <>S+ 0 0 16 -4,-1.5 5,-2.4 1,-0.2 4,-0.3 0.891 116.2 47.3 -49.3 -39.5 -10.1 4.8 4.0 65 78 A T H >45S+ 0 0 80 -5,-0.3 3,-2.0 2,-0.2 -2,-0.2 0.957 110.8 48.9 -61.9 -62.9 -12.8 5.4 6.6 66 79 A Q H 3<5S+ 0 0 138 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.838 114.7 45.0 -54.3 -37.1 -13.0 1.7 7.8 67 80 A Y T 3<5S- 0 0 65 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.423 108.0-124.1 -92.1 0.9 -9.2 1.4 8.2 68 81 A N T < 5 + 0 0 101 -3,-2.0 2,-0.8 -4,-0.3 -3,-0.2 0.832 41.0 178.5 56.3 47.0 -8.9 4.7 10.0 69 82 A I < + 0 0 14 -5,-2.4 -1,-0.2 -6,-0.2 5,-0.1 -0.640 17.5 157.1 -91.6 104.4 -6.3 6.1 7.5 70 83 A R + 0 0 179 -2,-0.8 2,-0.4 3,-0.1 -1,-0.2 0.483 56.5 64.8 -99.1 -13.9 -5.5 9.6 8.6 71 84 A S S S- 0 0 42 0, 0.0 -47,-0.1 0, 0.0 18,-0.1 -0.899 78.9-117.7-123.5 143.6 -2.1 9.8 6.8 72 85 A I S S+ 0 0 36 -2,-0.4 2,-0.2 16,-0.1 -47,-0.1 -0.959 103.6 34.2-119.4 113.2 -0.9 9.8 3.2 73 86 A P S S+ 0 0 28 0, 0.0 16,-1.0 0, 0.0 2,-0.3 0.483 80.0 154.4 -84.9 161.0 0.8 7.4 2.8 74 87 A T E - D 0 88A 0 -50,-0.4 -50,-2.6 14,-0.2 2,-0.4 -0.889 21.1-159.7-136.3 145.7 -0.6 4.6 5.0 75 88 A V E -CD 23 87A 0 12,-2.4 12,-2.0 -2,-0.3 2,-0.4 -0.994 3.7-159.7-134.4 136.9 -0.2 0.9 4.4 76 89 A L E -CD 22 86A 1 -54,-0.9 -54,-1.7 -2,-0.4 2,-0.5 -0.971 11.0-144.8-116.2 140.3 -2.1 -2.1 5.7 77 90 A F E +CD 21 85A 0 8,-3.2 7,-3.3 -2,-0.4 8,-1.4 -0.912 23.3 170.6-117.2 113.3 -0.8 -5.7 5.7 78 91 A F E -CD 20 83A 4 -58,-3.1 -58,-2.5 -2,-0.5 5,-0.2 -0.802 20.4-158.3-111.3 156.9 -3.2 -8.5 5.1 79 92 A K S S- 0 0 77 3,-2.7 2,-1.1 -2,-0.3 -1,-0.2 0.350 80.8 -14.6 -98.4 -99.8 -2.5 -12.2 4.5 80 93 A N S S- 0 0 66 1,-0.2 -66,-0.1 -63,-0.1 3,-0.1 -0.746 130.4 -46.1-111.9 79.1 -5.3 -14.0 2.7 81 94 A G S S+ 0 0 30 -2,-1.1 2,-0.4 -68,-0.6 -1,-0.2 0.667 119.2 111.1 61.1 32.1 -8.0 -11.4 3.0 82 95 A E - 0 0 102 -62,-0.0 -3,-2.7 0, 0.0 2,-0.3 -0.990 65.3-129.6-139.9 128.0 -7.1 -11.1 6.8 83 96 A R E +D 78 0A 118 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.560 33.5 159.2 -94.4 134.7 -5.5 -8.0 8.3 84 97 A K E + 0 0 85 -7,-3.3 2,-0.3 -2,-0.3 -6,-0.2 0.827 59.5 14.9-115.6 -54.2 -2.5 -8.2 10.5 85 98 A E E -D 77 0A 58 -8,-1.4 -8,-3.2 2,-0.0 2,-0.5 -0.982 49.9-157.8-141.7 140.9 -0.6 -4.9 10.7 86 99 A S E -D 76 0A 42 -2,-0.3 2,-0.9 -10,-0.2 -10,-0.2 -0.917 5.4-165.6-127.0 112.0 -1.1 -1.2 9.9 87 100 A I E -D 75 0A 13 -12,-2.0 -12,-2.4 -2,-0.5 2,-0.2 -0.811 11.7-155.1-100.9 100.7 1.8 1.2 9.3 88 101 A I E S+D 74 0A 97 -2,-0.9 2,-0.8 -14,-0.2 3,-0.3 -0.498 83.2 18.1 -70.5 132.7 0.6 4.8 9.5 89 102 A G S S- 0 0 15 -16,-1.0 -1,-0.2 1,-0.2 -15,-0.1 -0.165 89.8-142.7 94.5 -42.2 2.9 7.1 7.5 90 103 A A + 0 0 0 -2,-0.8 -52,-0.4 -15,-0.1 -1,-0.2 0.666 66.1 111.2 52.6 39.5 4.3 4.1 5.6 91 104 A V + 0 0 96 -3,-0.3 2,-1.3 -18,-0.1 3,-0.1 0.787 38.8 84.3-113.9 -37.0 7.8 5.7 5.6 92 105 A P >> - 0 0 61 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.651 64.1-157.8 -77.8 98.4 10.4 3.7 7.8 93 106 A K H >> S+ 0 0 102 -2,-1.3 4,-2.3 1,-0.2 3,-0.5 0.860 84.9 56.4 -43.2 -47.2 11.4 1.1 5.3 94 107 A S H 3> S+ 0 0 91 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.833 105.7 50.2 -57.1 -44.1 12.6 -1.4 8.0 95 108 A T H <> S+ 0 0 55 -3,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.820 109.8 50.8 -62.4 -43.0 9.3 -1.4 9.9 96 109 A L H X S+ 0 0 19 -4,-2.3 4,-1.5 1,-0.2 3,-1.0 0.964 111.0 52.1 -67.0 -49.4 9.7 -5.0 5.9 98 111 A D H 3X S+ 0 0 85 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.888 102.6 64.4 -47.8 -41.4 9.4 -6.2 9.5 99 112 A S H 3X S+ 0 0 2 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.783 104.3 40.4 -62.4 -33.7 5.6 -6.1 8.9 100 113 A I H XX S+ 0 0 0 -4,-1.0 4,-3.4 -3,-1.0 3,-1.9 0.991 113.3 52.0 -73.4 -56.1 5.4 -8.8 6.2 101 114 A E H 3< S+ 0 0 102 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.602 95.3 73.9 -58.0 -26.7 7.9 -11.2 7.7 102 115 A K H 3< S+ 0 0 112 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.904 122.1 8.2 -44.9 -54.4 6.0 -11.0 11.0 103 116 A Y H << 0 0 32 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.1 0.689 360.0 360.0-105.4 -36.7 3.2 -13.2 9.4 104 117 A L < 0 0 81 -4,-3.4 -1,-0.1 -5,-0.2 -55,-0.0 -0.694 360.0 360.0 -83.6 360.0 4.9 -14.2 6.1