==== 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 07-APR-04 1T00 . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR P.STEFANKOVA . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 12.5 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 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 . 13 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 1 1 0 0 0 0 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 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 . 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 S 0 0 128 0, 0.0 2,-0.3 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 149.5 15.2 31.7 11.2 2 0 A H - 0 0 148 48,-0.6 51,-0.2 2,-0.1 52,-0.1 -0.817 360.0-122.4-133.3 167.8 16.1 31.0 7.6 3 1 A M S S+ 0 0 193 -2,-0.3 2,-0.4 2,-0.0 47,-0.1 0.615 98.8 46.8 -91.2 -17.5 15.2 31.7 4.0 4 2 A A S S- 0 0 77 46,-0.1 2,-0.3 45,-0.1 -2,-0.1 -0.931 74.6-143.1-119.0 152.6 14.8 28.1 3.1 5 3 A G - 0 0 32 -2,-0.4 2,-0.2 41,-0.2 45,-0.2 -0.697 26.4-105.0 -99.7 164.6 12.9 25.4 5.0 6 4 A T - 0 0 103 43,-0.3 52,-0.5 -2,-0.3 2,-0.3 -0.566 31.4-166.3 -84.8 156.6 13.9 21.8 5.3 7 5 A L + 0 0 86 -2,-0.2 2,-0.4 50,-0.1 52,-0.2 -0.978 9.0 177.0-145.9 136.8 12.3 19.0 3.4 8 6 A K E -a 59 0A 74 50,-0.6 52,-2.3 -2,-0.3 2,-0.8 -0.990 26.0-138.3-136.6 131.6 12.5 15.2 3.9 9 7 A H E -a 60 0A 113 -2,-0.4 52,-0.2 50,-0.2 2,-0.1 -0.890 31.0-156.1 -87.8 105.3 10.7 12.5 2.0 10 8 A V E -a 61 0A 2 50,-1.8 52,-0.5 -2,-0.8 2,-0.2 -0.452 7.5-159.9 -87.8 154.3 9.6 10.0 4.7 11 9 A T > - 0 0 55 -2,-0.1 4,-1.4 50,-0.1 3,-0.2 -0.792 38.3 -96.8-125.1 170.7 8.9 6.3 4.1 12 10 A D T 4 S+ 0 0 73 -2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.916 127.5 48.7 -51.4 -39.9 7.1 3.5 5.9 13 11 A D T 4 S+ 0 0 161 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.826 117.3 37.4 -72.8 -32.8 10.5 2.5 7.3 14 12 A S T > S+ 0 0 28 -3,-0.2 4,-2.9 1,-0.1 5,-0.4 0.498 88.1 97.2 -98.5 -4.6 11.6 6.0 8.5 15 13 A F H X>S+ 0 0 7 -4,-1.4 4,-2.6 -3,-0.3 5,-1.8 0.895 81.0 51.1 -62.5 -41.7 8.2 7.2 9.8 16 14 A E H 4>S+ 0 0 108 -4,-0.4 5,-1.8 3,-0.2 -1,-0.2 0.944 118.2 36.4 -59.7 -51.2 8.7 6.4 13.5 17 15 A Q H 45S+ 0 0 116 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.901 124.4 40.0 -69.8 -43.4 12.1 8.1 13.8 18 16 A D H <5S+ 0 0 32 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.842 135.2 8.8 -74.6 -38.5 11.4 11.1 11.5 19 17 A V T ><5S+ 0 0 4 -4,-2.6 3,-1.2 -5,-0.4 68,-0.3 0.817 124.0 49.5-113.1 -54.0 7.8 11.9 12.5 20 18 A L T 3 - 0 0 0 -2,-0.3 3,-1.4 30,-0.2 6,-0.2 -0.986 27.9-122.3-153.0 158.7 1.3 11.7 -5.2 33 31 A A T 3 S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.805 109.2 54.9 -79.6 -22.1 2.9 13.0 -8.3 34 32 A W T 3 S+ 0 0 162 -3,-0.0 2,-0.7 4,-0.0 -1,-0.3 0.406 85.0 100.7 -84.5 -1.2 -0.2 12.6 -10.5 35 33 A C <> - 0 0 8 -3,-1.4 4,-1.7 1,-0.2 -3,-0.2 -0.776 55.5-165.0 -95.2 109.4 -2.4 14.6 -8.2 36 34 A G H > S+ 0 0 20 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.915 89.5 54.5 -60.5 -43.3 -2.8 18.2 -9.5 37 35 A P H > S+ 0 0 61 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.898 106.7 52.8 -60.7 -34.9 -4.1 19.5 -6.1 38 36 A C H > S+ 0 0 4 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.888 109.3 49.0 -61.5 -45.0 -1.0 18.2 -4.4 39 37 A R H >< S+ 0 0 145 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.911 106.1 58.8 -58.8 -41.8 1.2 20.0 -7.0 40 38 A Q H 3< S+ 0 0 152 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.829 108.4 42.7 -56.2 -43.0 -0.8 23.2 -6.4 41 39 A I H >X S+ 0 0 5 -4,-1.3 4,-2.4 -3,-0.2 3,-0.6 0.595 88.0 91.9 -83.3 -9.9 0.0 23.3 -2.6 42 40 A A H S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.852 111.3 53.5 -62.8 -33.8 4.9 26.1 -3.2 44 42 A S H <> S+ 0 0 21 -3,-0.6 4,-2.8 -4,-0.3 -2,-0.2 0.917 108.8 47.4 -64.1 -44.9 2.7 27.0 -0.2 45 43 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.877 110.6 53.0 -64.2 -40.1 4.2 24.3 2.0 46 44 A E H X S+ 0 0 149 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.930 111.9 45.0 -57.1 -45.1 7.7 25.4 0.9 47 45 A A H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.929 113.3 50.6 -68.5 -43.7 6.9 29.0 1.9 48 46 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 107.7 52.0 -59.2 -44.4 5.4 27.8 5.2 49 47 A A H < S+ 0 0 7 -4,-2.4 -43,-0.3 1,-0.2 -1,-0.2 0.865 114.5 43.2 -66.1 -32.2 8.3 25.6 6.1 50 48 A A H >< S+ 0 0 17 -4,-1.6 3,-0.7 -45,-0.2 -48,-0.6 0.914 117.2 45.6 -72.2 -46.8 10.7 28.5 5.6 51 49 A E H 3< S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.861 128.8 24.1 -68.2 -38.2 8.6 31.1 7.3 52 50 A Y T >X S+ 0 0 67 -4,-2.5 3,-2.1 -5,-0.2 4,-1.6 -0.035 78.6 125.9-121.5 28.2 7.7 29.0 10.4 53 51 A G T <4 + 0 0 25 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.674 68.9 64.2 -69.3 -19.5 10.6 26.5 10.5 54 52 A D T 34 S+ 0 0 100 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.677 115.3 31.6 -66.3 -20.8 11.4 27.4 14.1 55 53 A K T <4 S+ 0 0 50 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.664 123.9 21.8-108.8 -34.2 8.0 26.0 15.0 56 54 A I < - 0 0 3 -4,-1.6 2,-0.4 -7,-0.2 -1,-0.3 -0.985 57.4-140.3-144.2 148.8 7.2 23.2 12.6 57 55 A E E - b 0 26A 42 -32,-2.2 -30,-3.1 -2,-0.3 2,-0.5 -0.967 15.9-148.8-112.2 140.2 8.8 20.7 10.2 58 56 A I E + b 0 27A 3 -52,-0.5 -50,-0.6 -2,-0.4 2,-0.3 -0.903 22.5 167.4-105.6 133.3 7.4 19.8 6.8 59 57 A V E -ab 8 28A 2 -32,-2.6 -30,-2.7 -2,-0.5 2,-0.4 -0.879 25.6-130.1-135.5 161.0 7.9 16.3 5.4 60 58 A K E -ab 9 29A 37 -52,-2.3 -50,-1.8 -2,-0.3 2,-0.6 -0.972 10.5-166.3-118.1 139.8 6.3 14.4 2.5 61 59 A L E -ab 10 30A 0 -32,-2.7 -30,-2.1 -2,-0.4 2,-0.6 -0.951 16.5-148.2-120.3 105.1 4.9 10.9 2.4 62 60 A N E > - b 0 31A 11 -2,-0.6 4,-1.6 -52,-0.5 -30,-0.2 -0.682 3.0-156.5 -76.2 122.4 4.3 9.7 -1.2 63 61 A I T 4 S+ 0 0 31 -32,-2.7 -1,-0.2 -2,-0.6 -31,-0.1 0.745 90.0 56.6 -75.0 -24.3 1.3 7.4 -1.1 64 62 A D T 4 S+ 0 0 93 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.895 115.9 38.7 -67.0 -39.6 2.2 5.4 -4.3 65 63 A E T 4 S+ 0 0 147 1,-0.3 -2,-0.2 2,-0.1 -53,-0.2 0.686 131.6 28.0 -87.0 -25.4 5.6 4.5 -2.7 66 64 A N X + 0 0 13 -4,-1.6 4,-1.3 1,-0.1 -1,-0.3 -0.560 64.6 157.1-132.4 71.2 4.2 4.0 0.8 67 65 A P H > S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.801 74.2 64.2 -61.7 -19.9 0.6 2.9 0.2 68 66 A G H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.873 99.5 44.0 -71.2 -50.1 1.0 1.4 3.7 69 67 A T H > S+ 0 0 10 1,-0.2 4,-1.4 -3,-0.2 6,-0.2 0.868 114.7 55.0 -66.3 -35.8 1.5 4.5 6.0 70 68 A A H ><>S+ 0 0 5 -4,-1.3 5,-2.7 2,-0.2 3,-0.5 0.946 109.1 43.9 -53.6 -55.6 -1.3 6.0 3.9 71 69 A A H ><5S+ 0 0 73 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.912 107.7 61.1 -67.1 -35.3 -3.6 3.1 4.7 72 70 A K H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 111.3 38.6 -52.7 -42.5 -2.5 3.2 8.4 73 71 A Y T <<5S- 0 0 55 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.266 115.4-114.5 -98.6 14.6 -3.8 6.8 8.8 74 72 A G T < 5 + 0 0 52 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.786 51.3 172.2 62.5 33.0 -6.9 6.2 6.6 75 73 A V < + 0 0 16 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.606 16.6 145.7 -83.7 108.6 -5.7 8.6 4.0 76 74 A M + 0 0 176 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.341 60.6 54.9-126.7 7.5 -8.0 8.2 0.9 77 75 A S S S- 0 0 71 18,-0.0 18,-0.2 -47,-0.0 -1,-0.2 -0.993 85.6-114.7-136.7 136.3 -8.1 11.8 -0.3 78 76 A I S S+ 0 0 29 -2,-0.4 18,-0.2 1,-0.1 -47,-0.1 -0.918 86.0 39.8-129.3 151.9 -4.9 13.8 -1.2 79 77 A P S S+ 0 0 0 0, 0.0 16,-2.8 0, 0.0 2,-0.4 0.562 72.5 169.0 -71.3 146.7 -3.4 16.0 -0.5 80 78 A T E -CD 30 94A 6 -50,-1.6 -50,-3.2 14,-0.2 2,-0.7 -0.998 18.3-159.8-121.9 124.1 -3.9 15.3 3.2 81 79 A L E -CD 29 93A 3 12,-3.1 12,-2.3 -2,-0.4 2,-0.5 -0.943 10.8-175.1-103.4 109.5 -1.7 17.3 5.7 82 80 A N E -CD 28 92A 7 -54,-2.2 -54,-2.9 -2,-0.7 2,-0.6 -0.926 13.1-151.4-102.1 130.6 -1.5 15.6 9.1 83 81 A V E -CD 27 91A 0 8,-2.9 7,-3.1 -2,-0.5 8,-1.2 -0.884 13.8-156.6-101.8 124.2 0.3 17.4 11.9 84 82 A Y E +CD 26 89A 2 -58,-2.7 -58,-1.8 -2,-0.6 2,-0.4 -0.832 16.7 172.4-101.4 132.0 1.8 15.0 14.4 85 83 A Q E > S- D 0 88A 99 3,-2.2 3,-1.7 -2,-0.4 -62,-0.1 -0.990 74.0 -0.7-134.3 131.3 2.7 15.9 18.0 86 84 A G T 3 S- 0 0 79 -64,-0.4 -66,-0.1 -2,-0.4 -65,-0.1 0.797 131.3 -57.7 65.5 25.2 3.8 13.3 20.6 87 85 A G T 3 S+ 0 0 20 -68,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.545 118.9 86.2 85.5 9.1 3.5 10.6 18.0 88 86 A E E < S-D 85 0A 148 -3,-1.7 -3,-2.2 -68,-0.1 2,-0.5 -0.943 87.2 -88.5-136.5 157.8 -0.2 11.0 17.1 89 87 A V E +D 84 0A 60 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.545 40.2 171.7 -67.9 124.3 -2.2 13.1 14.7 90 88 A A E + 0 0 57 -7,-3.1 2,-0.3 -2,-0.5 -6,-0.2 0.577 68.9 12.8-101.5 -24.9 -3.1 16.4 16.3 91 89 A K E -D 83 0A 81 -8,-1.2 -8,-2.9 2,-0.0 2,-0.4 -0.954 62.6-161.3-155.6 140.2 -4.6 18.2 13.3 92 90 A T E -D 82 0A 73 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.989 4.1-168.9-132.1 130.2 -5.7 17.1 9.8 93 91 A I E -D 81 0A 2 -12,-2.3 -12,-3.1 -2,-0.4 2,-0.7 -0.976 14.0-162.7-115.4 112.9 -6.2 19.2 6.7 94 92 A V E +D 80 0A 83 -2,-0.5 -14,-0.2 -14,-0.2 -16,-0.1 -0.870 54.6 10.4-107.9 109.4 -8.0 17.2 4.0 95 93 A G S S- 0 0 25 -16,-2.8 2,-0.3 -2,-0.7 -14,-0.1 -0.087 96.3 -59.6 105.4 150.8 -7.7 18.6 0.5 96 94 A A + 0 0 41 -18,-0.2 -58,-0.1 -2,-0.1 -2,-0.1 -0.543 55.6 173.7 -66.2 138.1 -5.8 21.4 -1.1 97 95 A K - 0 0 76 -2,-0.3 5,-0.1 -60,-0.1 -2,-0.1 -0.929 37.3 -88.5-139.8 154.7 -6.3 24.9 0.2 98 96 A P >> - 0 0 99 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.221 46.0-103.7 -59.0 156.1 -4.6 28.2 -0.4 99 97 A K H 3> S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 120.4 52.5 -48.7 -48.9 -1.6 29.1 1.7 100 98 A A H 3> S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.1 50.8 -63.8 -29.2 -3.4 31.5 3.9 101 99 A A H <> S+ 0 0 10 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.901 109.8 48.9 -74.1 -37.3 -6.0 28.9 4.7 102 100 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.934 109.7 53.1 -64.7 -43.6 -3.4 26.3 5.6 103 101 A V H < S+ 0 0 30 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.938 109.1 48.9 -62.9 -40.4 -1.6 28.8 7.9 104 102 A R H >< S+ 0 0 162 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.905 109.3 52.0 -62.1 -46.1 -4.9 29.4 9.7 105 103 A D H 3< S+ 0 0 38 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.793 111.4 48.9 -59.5 -26.2 -5.4 25.7 10.1 106 104 A L T >X S+ 0 0 0 -4,-1.7 3,-1.9 -3,-0.4 4,-1.6 0.295 76.9 114.8 -93.7 8.5 -1.9 25.5 11.6 107 105 A E H <> + 0 0 119 -3,-1.5 4,-2.2 1,-0.3 5,-0.3 0.859 69.7 55.8 -53.7 -40.6 -2.4 28.4 14.0 108 106 A D H 34 S+ 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.690 116.0 38.4 -67.1 -19.6 -2.1 26.3 17.2 109 107 A F H <4 S+ 0 0 18 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.696 125.5 31.9 -97.4 -31.1 1.3 25.1 16.2 110 108 A I H < S+ 0 0 13 -4,-1.6 -2,-0.2 -7,-0.2 -3,-0.2 0.497 99.0 75.5-116.7 -0.1 2.9 28.1 14.5 111 109 A A < 0 0 75 -4,-2.2 -3,-0.1 -5,-0.3 -1,-0.1 0.858 360.0 360.0 -73.0 -37.3 1.4 31.1 16.4 112 110 A D 0 0 89 -5,-0.3 -2,-0.1 -4,-0.1 -1,-0.1 0.974 360.0 360.0 -50.2 360.0 3.7 30.3 19.4