==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-JAN-93 1THO . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.NIKKOLA,K.LANGSETMO,J.A.FUCHS,H.EKLUND . 109 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 13.8 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 0.9 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 . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 0 1 0 0 0 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 1 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 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 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 S > 0 0 92 0, 0.0 3,-0.6 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 19.1 25.4 44.5 -33.3 2 2 A D T 3 + 0 0 130 1,-0.2 42,-0.0 3,-0.0 0, 0.0 0.789 360.0 39.2 -69.9 -27.7 27.5 47.1 -31.3 3 3 A K T 3 S+ 0 0 74 41,-0.1 2,-0.4 2,-0.1 53,-0.3 0.608 89.8 106.4 -95.6 -2.5 30.9 45.7 -31.8 4 4 A I < - 0 0 21 -3,-0.6 2,-0.3 51,-0.1 53,-0.2 -0.585 67.0-134.4 -93.5 115.5 30.6 44.7 -35.5 5 5 A I E -a 57 0A 64 51,-1.9 53,-2.5 -2,-0.4 2,-0.6 -0.523 15.6-141.6 -65.4 127.3 32.4 46.9 -38.1 6 6 A H E -a 58 0A 124 -2,-0.3 2,-0.2 51,-0.2 53,-0.2 -0.872 27.5-155.0 -88.2 118.6 29.9 47.5 -41.0 7 7 A L - 0 0 0 51,-2.8 53,-0.5 -2,-0.6 2,-0.3 -0.615 19.2-174.0 -98.0 159.0 32.1 47.4 -44.1 8 8 A T > - 0 0 44 -2,-0.2 4,-2.1 51,-0.1 3,-0.3 -0.896 43.2-104.9-130.8 170.9 31.9 48.8 -47.5 9 9 A D H > S+ 0 0 58 -2,-0.3 4,-0.7 1,-0.2 3,-0.2 0.946 122.8 54.5 -60.8 -43.0 34.1 48.2 -50.6 10 10 A D H 4 S+ 0 0 155 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.842 115.8 36.7 -59.2 -35.4 35.7 51.7 -49.9 11 11 A S H > S+ 0 0 26 -3,-0.3 4,-3.3 1,-0.1 5,-0.4 0.714 92.9 86.4 -97.1 -17.3 36.6 50.8 -46.3 12 12 A F H X>S+ 0 0 10 -4,-2.1 4,-2.8 1,-0.2 5,-1.4 0.894 87.1 52.7 -52.0 -47.0 37.6 47.1 -46.7 13 13 A D H <>S+ 0 0 83 -4,-0.7 5,-1.3 1,-0.2 -1,-0.2 0.940 119.9 35.3 -61.5 -35.1 41.3 47.9 -47.6 14 14 A T H 45S+ 0 0 89 -4,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.940 123.5 40.0 -79.2 -49.7 41.7 50.1 -44.5 15 15 A D H <5S+ 0 0 65 -4,-3.3 -3,-0.2 3,-0.1 -2,-0.2 0.785 133.6 17.0 -74.3 -30.3 39.5 48.3 -42.0 16 16 A V T ><5S+ 0 0 2 -4,-2.8 3,-0.9 -5,-0.4 69,-0.5 0.823 127.0 39.9-110.4 -59.4 40.5 44.8 -43.0 17 17 A L T 3 - 0 0 1 -2,-0.2 3,-1.9 31,-0.2 7,-0.1 -0.933 37.9-110.3-157.2 153.8 22.7 39.9 -48.3 30 30 A E T 3 S+ 0 0 160 -2,-0.3 -1,-0.0 1,-0.3 6,-0.0 0.787 116.0 64.4 -58.1 -27.4 19.0 40.4 -47.2 31 31 A W T 3 S+ 0 0 167 -3,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.500 79.4 91.6 -74.3 -10.5 18.0 37.7 -49.8 32 32 A a < - 0 0 10 -3,-1.9 -3,-0.1 1,-0.1 -4,-0.0 -0.783 69.0-169.8 -73.8 128.1 20.0 35.1 -47.8 33 33 A G >> - 0 0 33 -2,-0.5 4,-1.8 3,-0.1 3,-0.8 0.452 51.5 -7.3 -92.9-119.8 17.2 33.8 -45.4 34 33AA R H 3> S+ 0 0 203 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.821 124.5 61.0 -46.3 -52.7 17.4 31.6 -42.5 35 34 A P H 3> S+ 0 0 53 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.835 112.0 39.2 -54.3 -40.3 21.2 30.6 -42.8 36 35 A a H <> S+ 0 0 12 -3,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.820 116.5 51.7 -69.4 -39.3 22.4 34.3 -42.4 37 36 A K H < S+ 0 0 156 -4,-1.8 -1,-0.2 -3,-0.4 -3,-0.2 0.897 105.7 56.2 -64.3 -42.2 19.7 35.0 -39.7 38 37 A M H < S+ 0 0 94 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.759 110.8 41.5 -61.6 -34.2 20.9 31.9 -37.8 39 38 A I H X S+ 0 0 2 -4,-0.9 4,-2.5 -5,-0.2 3,-0.3 0.772 94.2 79.3 -92.2 -22.3 24.5 33.1 -37.5 40 39 A A H X S+ 0 0 27 -4,-1.5 4,-1.4 1,-0.2 -2,-0.1 0.850 94.6 47.2 -54.4 -43.3 23.9 36.9 -36.7 41 40 A P H > S+ 0 0 73 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.896 112.7 51.0 -60.9 -40.3 23.1 36.4 -32.9 42 41 A I H > S+ 0 0 27 -4,-0.4 4,-2.7 -3,-0.3 5,-0.2 0.919 104.0 56.5 -65.3 -44.6 26.1 34.1 -32.5 43 42 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.919 102.9 55.7 -57.6 -36.4 28.5 36.7 -34.1 44 43 A D H X S+ 0 0 49 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.928 110.9 45.9 -62.4 -38.0 27.4 39.3 -31.5 45 44 A E H X S+ 0 0 92 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.952 112.9 47.9 -65.4 -51.4 28.4 36.7 -28.8 46 45 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.919 109.8 53.2 -57.6 -42.4 31.7 35.9 -30.5 47 46 A A H < S+ 0 0 8 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.8 42.4 -62.3 -35.7 32.6 39.6 -31.0 48 47 A D H >< S+ 0 0 76 -4,-1.5 3,-1.6 -5,-0.3 -2,-0.2 0.980 116.6 46.6 -68.3 -59.4 32.0 40.1 -27.3 49 48 A E H 3< S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.741 114.3 45.1 -57.2 -37.3 33.7 37.1 -26.2 50 49 A Y T >X S+ 0 0 6 -4,-2.8 3,-2.3 -5,-0.2 4,-2.0 0.123 78.4 157.4-100.2 18.6 36.9 37.5 -28.4 51 50 A Q T <4 S+ 0 0 131 -3,-1.6 4,-0.1 1,-0.3 -3,-0.1 -0.107 74.5 7.1 -38.8 125.6 37.3 41.2 -27.5 52 51 A G T 34 S+ 0 0 93 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.268 125.2 69.9 76.5 -18.9 40.9 42.3 -28.1 53 52 A K T <4 S+ 0 0 130 -3,-2.3 -31,-0.4 1,-0.3 2,-0.3 0.697 113.3 0.0 -89.9 -29.0 41.6 38.8 -29.7 54 53 A L < - 0 0 10 -4,-2.0 2,-0.4 -7,-0.2 -1,-0.3 -0.987 57.6-136.1-161.9 145.7 39.5 39.4 -32.8 55 54 A T E - c 0 23A 62 -33,-2.0 -31,-2.8 -2,-0.3 2,-0.4 -0.920 19.4-151.3-107.9 134.6 37.3 42.0 -34.7 56 55 A V E + c 0 24A 1 -2,-0.4 -51,-1.9 -53,-0.3 2,-0.3 -0.848 20.8 174.5-100.9 141.3 34.0 40.8 -36.3 57 56 A A E -ac 5 25A 0 -33,-2.5 -31,-2.8 -2,-0.4 2,-0.4 -0.975 18.6-146.2-145.3 151.9 32.8 42.7 -39.4 58 57 A K E -ac 6 26A 35 -53,-2.5 -51,-2.8 -2,-0.3 2,-0.4 -0.969 7.3-169.2-118.3 143.4 29.9 42.3 -41.9 59 58 A L E - c 0 27A 0 -33,-3.0 -31,-2.3 -2,-0.4 2,-0.7 -0.993 16.0-145.2-133.8 121.8 29.9 43.2 -45.7 60 59 A N E > - c 0 28A 9 -53,-0.5 4,-1.7 -2,-0.4 -31,-0.2 -0.837 9.2-154.5 -83.7 117.9 26.6 43.2 -47.5 61 60 A I T 4 S+ 0 0 34 -33,-2.6 -32,-0.2 -2,-0.7 -1,-0.1 0.708 87.9 54.5 -73.1 -22.7 27.4 41.9 -51.0 62 61 A D T 4 S+ 0 0 88 -34,-0.4 -1,-0.2 1,-0.2 -33,-0.1 0.958 115.4 37.4 -73.7 -50.7 24.4 43.6 -52.7 63 62 A Q T 4 S+ 0 0 128 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.789 129.7 37.3 -68.8 -30.5 25.2 47.0 -51.4 64 63 A N < + 0 0 14 -4,-1.7 3,-0.5 1,-0.1 4,-0.4 -0.798 69.6 165.7-125.2 89.5 29.0 46.3 -51.9 65 64 A P + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.631 60.1 65.8 -87.6 -12.4 29.5 44.2 -55.1 66 65 A G S > S+ 0 0 28 2,-0.1 4,-0.8 1,-0.1 -5,-0.1 0.633 90.1 61.6 -87.2 -10.4 33.3 44.4 -55.7 67 66 A T H > S+ 0 0 8 -3,-0.5 4,-0.8 2,-0.2 3,-0.4 0.942 94.1 55.2 -84.9 -47.2 34.8 42.5 -52.7 68 67 A A H >>>S+ 0 0 10 -4,-0.4 5,-1.7 1,-0.2 3,-1.6 0.908 104.0 59.2 -59.2 -42.2 33.4 39.0 -52.9 69 68 A P H >45S+ 0 0 97 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.895 101.7 52.6 -45.3 -47.7 34.9 38.7 -56.6 70 69 A K H 3<5S+ 0 0 163 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.667 118.7 36.7 -68.4 -15.6 38.5 39.3 -55.4 71 70 A Y H <<5S- 0 0 72 -3,-1.6 -1,-0.2 -4,-0.8 -3,-0.1 0.350 110.5-118.5-115.6 0.8 38.1 36.5 -52.8 72 71 A G T <<5 + 0 0 48 -4,-0.9 2,-0.2 -3,-0.8 -4,-0.1 0.784 42.1 176.8 75.3 29.6 36.0 34.1 -54.8 73 72 A I < + 0 0 30 -5,-1.7 -1,-0.2 1,-0.2 3,-0.1 -0.519 9.7 172.0 -73.1 130.9 32.9 34.0 -52.7 74 73 A R + 0 0 237 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.747 63.3 22.8-101.4 -58.0 30.3 31.8 -54.4 75 74 A G S S- 0 0 31 2,-0.1 -1,-0.3 18,-0.0 -48,-0.1 -0.743 80.8-101.1-115.3 165.8 27.6 31.6 -51.6 76 75 A I S S+ 0 0 25 -2,-0.3 -48,-0.2 -3,-0.1 18,-0.1 -0.832 92.2 50.6-117.4 149.5 26.6 33.5 -48.5 77 76 A P S S+ 0 0 2 0, 0.0 16,-3.3 0, 0.0 2,-0.4 0.695 73.2 156.1 -72.3 141.1 27.0 33.3 -45.6 78 77 A T E -BD 27 92A 4 -51,-1.0 -51,-2.9 14,-0.2 2,-0.5 -0.985 26.5-157.7-125.4 140.2 30.7 32.9 -46.0 79 78 A L E -BD 26 91A 0 12,-2.8 12,-2.2 -2,-0.4 2,-0.5 -0.985 7.2-166.9-118.0 121.7 32.9 33.9 -43.1 80 79 A L E -BD 25 90A 6 -55,-1.9 -55,-2.6 -2,-0.5 2,-0.6 -0.987 10.0-148.0-110.4 130.6 36.5 34.7 -44.0 81 80 A L E -BD 24 89A 0 8,-2.6 7,-3.6 -2,-0.5 8,-1.0 -0.802 15.6-168.0 -96.5 123.1 39.2 35.0 -41.3 82 81 A F E -BD 23 87A 1 -59,-3.2 -59,-2.4 -2,-0.6 2,-0.5 -0.912 9.4-171.0-106.4 136.3 42.0 37.5 -42.0 83 82 A K E > S-BD 22 86A 68 3,-2.2 3,-2.1 -2,-0.4 -61,-0.2 -0.988 75.1 -29.2-126.7 112.4 45.2 37.8 -40.0 84 83 A N T 3 S- 0 0 110 -63,-2.6 -67,-0.1 -2,-0.5 -62,-0.1 0.877 129.4 -35.6 53.7 56.3 47.3 40.9 -40.9 85 84 A G T 3 S+ 0 0 26 -69,-0.5 2,-0.3 -64,-0.3 -1,-0.3 0.231 119.6 97.6 87.7 -15.9 46.2 41.3 -44.5 86 85 A E E < S-D 83 0A 145 -3,-2.1 -3,-2.2 1,-0.0 2,-0.5 -0.781 75.5-116.0-117.3 148.7 45.9 37.6 -45.4 87 86 A V E +D 82 0A 64 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.628 30.7 177.7 -70.5 121.4 43.1 35.0 -45.6 88 87 A A E - 0 0 42 -7,-3.6 2,-0.3 -2,-0.5 -1,-0.2 0.820 61.9 -22.1 -90.9 -35.8 43.8 32.4 -43.0 89 88 A A E -D 81 0A 19 -8,-1.0 -8,-2.6 2,-0.0 -1,-0.4 -0.968 53.4-135.5-173.1 163.3 40.7 30.3 -43.5 90 89 A T E -D 80 0A 73 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.961 7.6-169.6-136.4 144.4 37.1 30.2 -44.8 91 90 A K E -D 79 0A 69 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.4 -0.995 14.6-157.2-135.3 126.5 33.8 28.7 -43.4 92 91 A V E +D 78 0A 99 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.883 50.3 2.9-110.3 143.3 30.8 28.5 -45.8 93 92 A G S S- 0 0 24 -16,-3.3 2,-0.2 -2,-0.4 -14,-0.1 -0.157 99.3 -34.9 78.4 179.8 27.1 28.4 -44.6 94 93 A A + 0 0 44 -18,-0.1 2,-0.3 -16,-0.0 -58,-0.1 -0.520 61.5 171.2 -76.3 142.2 25.5 28.5 -41.3 95 94 A L - 0 0 18 -2,-0.2 2,-0.2 -60,-0.2 -2,-0.0 -0.931 32.2 -97.0-150.0 165.6 27.1 26.9 -38.3 96 95 A S > - 0 0 55 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.494 33.3-112.7 -80.5 166.5 26.7 26.6 -34.6 97 96 A K H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.882 116.8 53.6 -65.6 -39.2 28.6 28.7 -32.0 98 97 A G H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 112.7 41.5 -66.2 -49.6 30.5 25.7 -30.8 99 98 A Q H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.867 112.5 55.1 -74.2 -20.2 31.7 24.8 -34.2 100 99 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.955 107.8 50.9 -70.5 -39.4 32.4 28.5 -34.9 101 100 A K H X S+ 0 0 63 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.859 107.0 53.8 -62.0 -32.5 34.6 28.6 -31.8 102 101 A E H X S+ 0 0 143 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.965 109.5 48.2 -66.3 -49.0 36.4 25.5 -33.0 103 102 A F H X S+ 0 0 17 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.944 116.0 42.6 -57.3 -48.5 37.2 27.3 -36.3 104 103 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 3,-0.5 0.893 113.5 51.4 -69.8 -38.5 38.4 30.5 -34.6 105 104 A D H >< S+ 0 0 80 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.966 108.5 50.5 -64.0 -43.6 40.4 28.7 -31.9 106 105 A A H 3< S+ 0 0 76 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.742 117.5 41.5 -60.0 -21.8 42.3 26.5 -34.4 107 106 A N H 3< S+ 0 0 42 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.345 99.8 66.4-112.8 -1.9 43.3 29.5 -36.4 108 107 A L << 0 0 48 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.1 -0.200 360.0 360.0-110.5 39.4 44.2 32.1 -33.8 109 108 A A 0 0 133 -3,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.418 360.0 360.0-134.0 360.0 47.3 30.1 -32.7