==== 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-JUL-95 1THX . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR M.SAARINEN,F.K.GLEASON,H.EKLUND . 108 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 13.0 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 . 7 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 27.8 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 1 0 1 0 0 0 0 0 1 0 1 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 . 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 77 0, 0.0 52,-0.2 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 45.3 12.5 18.3 44.0 2 2 A K + 0 0 147 49,-0.1 48,-0.1 2,-0.0 2,-0.1 0.926 360.0 6.1 -75.6 -31.9 11.5 17.4 40.5 3 3 A G S S- 0 0 28 43,-0.1 52,-0.5 44,-0.1 2,-0.4 -0.373 92.3 -63.8-132.1-158.9 8.2 19.3 41.1 4 4 A V E -a 55 0A 38 -2,-0.1 2,-0.5 50,-0.1 52,-0.2 -0.760 35.2-154.3 -99.6 133.3 6.2 21.5 43.3 5 5 A I E -a 56 0A 67 50,-2.1 52,-2.2 -2,-0.4 2,-0.6 -0.918 11.8-139.1-107.1 133.4 5.0 20.5 46.8 6 6 A T E -a 57 0A 90 -2,-0.5 2,-0.2 50,-0.2 52,-0.2 -0.835 30.6-178.4 -90.3 124.0 1.8 22.0 48.3 7 7 A I - 0 0 3 50,-2.4 52,-0.4 -2,-0.6 2,-0.2 -0.717 16.4-146.5-119.0 171.7 2.3 22.8 52.0 8 8 A T >> - 0 0 52 -2,-0.2 3,-1.5 50,-0.1 4,-0.9 -0.777 40.5 -91.3-128.4 174.3 0.3 24.2 54.9 9 9 A D G >4 S+ 0 0 38 1,-0.3 3,-0.9 -2,-0.2 4,-0.5 0.888 124.1 59.2 -52.9 -43.0 1.1 26.2 58.0 10 10 A A G 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.716 111.8 38.5 -60.8 -25.4 1.6 23.0 59.9 11 11 A E G <> S+ 0 0 77 -3,-1.5 4,-2.7 1,-0.1 5,-0.4 0.487 88.2 97.0-106.2 -1.8 4.4 21.9 57.6 12 12 A F H S+ 0 0 11 -4,-0.9 4,-2.5 -3,-0.9 5,-1.3 0.887 81.1 50.4 -57.2 -46.4 6.1 25.1 57.0 13 13 A E H 4>S+ 0 0 113 -4,-0.5 5,-2.0 3,-0.2 -1,-0.2 0.944 117.8 36.1 -62.1 -48.0 8.9 24.8 59.5 14 14 A S H 45S+ 0 0 76 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 123.3 42.2 -75.0 -37.6 10.1 21.3 58.5 15 15 A E H <5S+ 0 0 68 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.805 133.6 11.7 -78.6 -30.3 9.5 21.7 54.7 16 16 A V T ><5S+ 0 0 1 -4,-2.5 3,-1.6 -5,-0.4 67,-0.5 0.813 125.1 43.6-112.3 -61.6 10.9 25.3 54.4 17 17 A L T 3 - 0 0 2 -2,-0.3 3,-1.4 30,-0.2 6,-0.1 -0.982 27.9-121.3-150.0 154.1 -5.6 31.6 45.8 30 30 A S T 3 S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.796 115.1 54.6 -68.4 -25.7 -8.5 29.9 44.0 31 31 A W T 3 S+ 0 0 147 1,-0.1 2,-0.9 -3,-0.0 -1,-0.3 0.287 86.3 102.4 -89.2 9.9 -10.1 33.3 43.5 32 32 A a X> - 0 0 8 -3,-1.4 4,-0.6 1,-0.2 3,-0.6 -0.795 48.7-174.6-101.7 102.2 -7.0 34.6 41.9 33 33 A G T >4 S+ 0 0 42 -2,-0.9 3,-2.1 1,-0.2 4,-0.5 0.951 84.5 50.0 -58.4 -54.0 -7.2 34.7 38.1 34 34 A P T >> S+ 0 0 69 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.718 97.3 72.9 -59.7 -21.1 -3.6 35.8 37.2 35 35 A a H <> S+ 0 0 4 -3,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.829 86.1 65.3 -62.2 -28.2 -2.5 32.9 39.5 36 36 A Q H << S+ 0 0 152 -3,-2.1 -1,-0.2 -4,-0.6 -3,-0.1 0.808 100.2 49.9 -64.1 -31.1 -3.6 30.6 36.8 37 37 A L H <> S+ 0 0 119 -3,-0.9 4,-0.7 -4,-0.5 -1,-0.2 0.842 113.3 46.7 -75.1 -34.7 -0.9 32.0 34.5 38 38 A M H X S+ 0 0 1 -4,-1.2 4,-2.3 1,-0.2 3,-0.3 0.859 94.1 72.0 -77.6 -39.0 1.8 31.5 37.2 39 39 A S H X S+ 0 0 43 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.890 100.0 46.9 -45.7 -48.9 1.1 28.0 38.3 40 40 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.897 113.2 50.3 -60.3 -41.4 2.5 26.4 35.1 41 41 A L H X S+ 0 0 30 -4,-0.7 4,-1.9 -3,-0.3 -2,-0.2 0.829 107.0 52.4 -65.8 -39.3 5.6 28.6 35.2 42 42 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.898 108.0 52.5 -64.6 -38.6 6.3 27.7 38.8 43 43 A N H X S+ 0 0 76 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.934 108.4 51.7 -63.0 -41.9 6.1 24.1 37.9 44 44 A L H X S+ 0 0 46 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.872 107.7 50.8 -59.4 -47.3 8.7 24.8 35.1 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.900 108.1 54.0 -58.0 -42.8 11.1 26.5 37.4 46 46 A A H < S+ 0 0 2 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.941 112.0 42.9 -59.1 -47.2 10.9 23.5 39.8 47 47 A N H >< S+ 0 0 69 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.947 114.7 51.7 -65.5 -44.4 11.8 21.0 37.0 48 48 A T H 3< S+ 0 0 81 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.839 120.5 30.7 -61.6 -40.3 14.5 23.3 35.7 49 49 A Y T >X S+ 0 0 8 -4,-2.6 3,-2.3 1,-0.2 4,-1.6 0.052 79.2 137.1-108.1 29.4 16.3 23.8 39.0 50 50 A S T <4 S+ 0 0 20 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.767 72.3 45.4 -47.5 -35.6 15.4 20.4 40.4 51 51 A D T 34 S+ 0 0 141 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.574 122.2 32.7 -88.5 -5.7 18.9 19.8 41.8 52 52 A R T <4 S+ 0 0 106 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.466 114.3 44.6-127.4 -0.4 19.5 23.3 43.4 53 53 A L < - 0 0 1 -4,-1.6 2,-0.4 -7,-0.2 -1,-0.2 -0.996 58.3-144.3-149.0 146.9 16.1 24.5 44.6 54 54 A K E - b 0 23A 39 -32,-2.2 -30,-2.7 -2,-0.3 2,-0.5 -0.931 20.2-157.7-111.3 134.2 13.0 23.3 46.4 55 55 A V E +ab 4 24A 2 -52,-0.5 -50,-2.1 -2,-0.4 2,-0.3 -0.956 16.4 169.1-117.8 126.0 9.7 24.8 45.2 56 56 A V E -ab 5 25A 0 -32,-2.5 -30,-2.3 -2,-0.5 2,-0.3 -0.895 15.2-154.0-130.5 159.4 6.6 24.9 47.4 57 57 A K E -ab 6 26A 37 -52,-2.2 -50,-2.4 -2,-0.3 2,-0.4 -0.982 4.5-167.2-138.5 145.2 3.2 26.5 47.2 58 58 A L E - b 0 27A 0 -32,-2.2 -30,-1.9 -2,-0.3 2,-0.3 -0.999 20.0-134.6-132.9 136.9 0.6 27.7 49.7 59 59 A E E - b 0 28A 59 -52,-0.4 4,-0.4 -2,-0.4 -30,-0.2 -0.650 22.0-139.5 -82.4 137.6 -3.0 28.7 49.3 60 60 A I S > S+ 0 0 31 -32,-2.3 3,-1.3 -2,-0.3 7,-0.2 0.928 88.3 64.9 -72.7 -37.1 -3.5 31.9 51.3 61 61 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 -32,-0.1 0.887 108.3 35.3 -54.1 -50.1 -7.0 31.2 52.7 62 62 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -53,-0.2 0.452 112.2 64.4 -85.1 1.8 -6.2 28.2 54.9 63 63 A N <> + 0 0 8 -3,-1.3 4,-1.8 -4,-0.4 3,-0.3 -0.376 50.8 154.8-128.0 65.4 -2.7 29.4 55.9 64 64 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.796 71.2 56.8 -59.8 -33.5 -3.0 32.6 58.0 65 65 A T H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.931 110.0 39.7 -68.3 -47.4 0.3 32.2 59.8 66 66 A T H > S+ 0 0 4 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.899 114.1 55.7 -69.8 -35.6 2.7 31.9 56.9 67 67 A V H <>S+ 0 0 22 -4,-1.8 5,-2.5 1,-0.2 4,-0.2 0.912 111.6 43.5 -61.6 -45.4 0.8 34.6 55.0 68 68 A K H ><5S+ 0 0 170 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.933 109.0 58.3 -66.2 -44.7 1.3 37.0 57.9 69 69 A K H 3<5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.826 114.6 36.2 -54.4 -39.5 4.9 35.9 58.4 70 70 A Y T 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.291 107.3-121.1-100.8 11.5 5.8 37.0 54.9 71 71 A K T < 5 - 0 0 143 -3,-1.6 2,-1.1 1,-0.2 -3,-0.2 0.919 41.2-179.6 49.3 49.5 3.5 40.0 54.6 72 72 A V < + 0 0 11 -5,-2.5 -1,-0.2 -6,-0.1 3,-0.1 -0.713 13.2 161.1 -82.6 102.6 1.7 38.5 51.7 73 73 A E + 0 0 164 -2,-1.1 2,-0.3 -3,-0.2 -1,-0.1 -0.026 62.4 17.5-115.3 32.8 -0.8 41.2 51.0 74 74 A G S S- 0 0 34 18,-0.0 -1,-0.2 -46,-0.0 -47,-0.1 -0.857 83.7 -88.0 171.7 150.3 -1.7 40.3 47.4 75 75 A V S S+ 0 0 32 -2,-0.3 2,-0.1 -3,-0.1 -47,-0.1 -0.954 90.1 42.7-129.9 154.3 -1.4 37.3 45.1 76 76 A P S S+ 0 0 5 0, 0.0 16,-2.8 0, 0.0 2,-0.3 0.553 80.7 160.9 -73.2 154.4 0.3 35.9 43.1 77 77 A A E -CD 27 91A 1 -50,-1.6 -50,-3.0 14,-0.2 2,-0.4 -0.993 25.9-156.5-144.6 147.0 3.4 36.4 45.2 78 78 A L E -CD 26 90A 2 12,-2.7 12,-2.0 -2,-0.3 2,-0.4 -0.974 6.4-176.1-124.1 140.7 6.9 34.8 45.4 79 79 A R E -CD 25 89A 17 -54,-2.0 -54,-3.2 -2,-0.4 2,-0.6 -0.993 11.3-158.2-132.8 125.4 9.4 34.7 48.3 80 80 A L E +CD 24 88A 0 8,-2.8 7,-2.8 -2,-0.4 8,-1.4 -0.942 29.2 171.2-104.1 117.6 12.8 33.2 47.8 81 81 A V E -CD 23 86A 0 -58,-2.8 -58,-2.7 -2,-0.6 2,-0.3 -0.817 36.6-160.7-131.6 164.6 14.2 32.1 51.1 82 82 A K E > S- D 0 85A 115 3,-2.5 3,-2.4 -2,-0.3 2,-0.1 -0.866 75.8 -51.9-142.9 100.5 17.0 30.3 52.9 83 83 A G T 3 S- 0 0 23 -67,-0.5 -1,-0.1 -2,-0.3 -65,-0.1 -0.454 124.0 -19.4 64.5-132.0 16.1 29.4 56.4 84 84 A E T 3 S+ 0 0 128 -2,-0.1 2,-0.5 -67,-0.1 -1,-0.3 0.454 118.2 101.7 -84.3 -2.1 14.9 32.6 58.0 85 85 A Q E < -D 82 0A 117 -3,-2.4 -3,-2.5 2,-0.0 2,-0.7 -0.729 62.7-150.0 -87.1 126.5 16.7 34.7 55.4 86 86 A I E -D 81 0A 86 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.855 13.6-176.2 -94.9 114.2 14.5 36.2 52.6 87 87 A L E - 0 0 43 -7,-2.8 2,-0.3 -2,-0.7 -6,-0.2 0.831 61.4 -25.2 -77.8 -40.3 16.7 36.5 49.6 88 88 A D E -D 80 0A 60 -8,-1.4 -8,-2.8 2,-0.0 2,-0.3 -0.972 56.2-157.8-164.6 168.6 14.2 38.2 47.2 89 89 A S E -D 79 0A 56 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.988 4.3-171.8-155.9 153.8 10.5 38.7 46.6 90 90 A T E -D 78 0A 36 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.4 -0.993 10.3-149.8-149.8 153.9 8.1 39.6 43.9 91 91 A E E +D 77 0A 98 -2,-0.3 -14,-0.2 -14,-0.2 -16,-0.1 -0.971 58.6 13.9-122.8 142.8 4.4 40.4 43.4 92 92 A G S S- 0 0 30 -16,-2.8 2,-0.2 -2,-0.4 -14,-0.0 -0.129 98.9 -40.2 86.1 167.9 2.3 39.7 40.3 93 93 A V - 0 0 68 -18,-0.1 2,-0.3 -16,-0.0 -2,-0.1 -0.521 59.6-174.3 -69.3 134.9 2.7 37.7 37.1 94 94 A I - 0 0 11 -2,-0.2 2,-0.1 -4,-0.1 -2,-0.0 -0.933 26.6-100.3-128.4 157.1 6.2 37.8 35.7 95 95 A S > - 0 0 55 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.323 32.0-109.1 -72.6 161.7 7.6 36.3 32.4 96 96 A K H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 121.5 51.7 -55.7 -39.3 9.5 33.1 32.2 97 97 A D H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 108.6 47.7 -65.1 -45.1 12.6 35.2 31.4 98 98 A K H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 113.3 50.4 -64.0 -39.9 12.2 37.4 34.4 99 99 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.920 108.8 50.1 -63.8 -45.7 11.6 34.4 36.7 100 100 A L H X S+ 0 0 38 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.912 114.2 44.8 -63.7 -38.9 14.7 32.6 35.4 101 101 A S H X S+ 0 0 69 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.812 107.5 58.2 -72.9 -33.4 16.9 35.7 36.0 102 102 A F H X S+ 0 0 24 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.967 115.6 37.8 -59.2 -45.1 15.3 36.2 39.4 103 103 A L H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.7 0.927 112.4 54.6 -73.5 -47.2 16.5 32.7 40.3 104 104 A D H 3X S+ 0 0 63 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.870 102.0 59.7 -55.7 -39.1 19.9 32.8 38.5 105 105 A T H 3< S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 117.1 30.6 -60.0 -35.7 20.9 35.9 40.3 106 106 A H H << S+ 0 0 63 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.743 113.2 57.9 -96.7 -28.7 20.5 34.2 43.7 107 107 A L H < 0 0 32 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.774 360.0 360.0 -75.5 -20.0 21.4 30.6 43.0 108 108 A N < 0 0 148 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.1 0.922 360.0 360.0-101.1 360.0 24.8 31.5 41.6