==== 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 10-MAY-94 1TRS . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.M.CLORE,J.QIN,A.M.GRONENBORN . 105 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 13.3 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 . 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 . 16 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 24.8 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+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 1 0 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 . 0 0 0 1 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 M 0 0 157 0, 0.0 53,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-176.0 -7.3 -2.8 8.9 2 2 A V E -a 54 0A 55 51,-0.1 2,-0.3 2,-0.0 53,-0.2 -0.983 360.0-167.8-144.6 155.5 -3.6 -2.3 8.4 3 3 A K E -a 55 0A 106 51,-1.3 53,-1.5 -2,-0.3 2,-0.5 -0.896 15.9-142.3-150.3 117.4 -0.5 -4.7 8.3 4 4 A Q E -a 56 0A 99 -2,-0.3 2,-0.8 51,-0.2 53,-0.2 -0.660 16.9-143.5 -80.7 122.8 3.2 -3.7 8.3 5 5 A I E +a 57 0A 1 51,-1.2 53,-0.5 -2,-0.5 60,-0.1 -0.748 22.7 175.6 -88.2 111.5 5.2 -6.0 6.1 6 6 A E + 0 0 122 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.663 67.0 5.5 -89.9 -16.4 8.6 -6.5 7.8 7 7 A S S > S- 0 0 46 55,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.995 81.1 -95.8-159.9 162.9 9.9 -9.0 5.2 8 8 A K H > S+ 0 0 98 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.818 118.2 67.0 -53.6 -28.2 9.0 -10.6 1.8 9 9 A T H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.983 101.9 42.2 -59.1 -57.1 7.7 -13.5 3.9 10 10 A A H > S+ 0 0 21 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.780 106.3 68.9 -62.3 -23.0 4.8 -11.5 5.4 11 11 A F H X S+ 0 0 32 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.979 104.8 36.9 -61.7 -55.3 4.2 -10.0 1.9 12 12 A Q H X S+ 0 0 130 -4,-1.6 4,-2.3 -3,-0.3 5,-0.3 0.962 118.1 49.9 -63.9 -49.5 3.0 -13.3 0.3 13 13 A E H X S+ 0 0 133 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.849 108.3 56.1 -59.5 -29.9 1.1 -14.4 3.4 14 14 A A H X S+ 0 0 6 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.910 107.5 47.0 -70.2 -39.0 -0.6 -11.0 3.5 15 15 A L H X S+ 0 0 19 -4,-1.7 4,-1.1 -3,-0.3 -2,-0.2 0.933 115.6 44.8 -69.0 -42.8 -1.9 -11.2 -0.1 16 16 A D H < S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.2 52.9 -69.0 -34.7 -3.3 -14.8 0.5 17 17 A A H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.857 100.0 62.3 -69.9 -31.6 -4.7 -13.7 3.9 18 18 A A H >< S- 0 0 14 -4,-1.7 3,-1.0 1,-0.2 2,-0.8 0.911 85.5-172.9 -61.1 -37.7 -6.5 -10.8 2.2 19 19 A G T 3< - 0 0 33 -4,-1.1 63,-0.3 1,-0.2 -1,-0.2 -0.702 63.4 -22.8 84.4-113.2 -8.5 -13.3 0.1 20 20 A D T 3 S+ 0 0 102 -2,-0.8 -1,-0.2 -3,-0.1 3,-0.1 0.313 106.8 112.9-115.6 4.2 -10.6 -11.4 -2.5 21 21 A K S < S- 0 0 109 -3,-1.0 61,-0.5 1,-0.1 31,-0.1 -0.367 80.9 -86.8 -75.6 159.5 -10.8 -8.1 -0.7 22 22 A L - 0 0 12 29,-0.4 31,-1.0 83,-0.1 2,-0.3 -0.206 40.6-161.9 -61.0 158.0 -9.0 -5.1 -2.3 23 23 A V E -bC 53 80A 1 57,-1.1 57,-3.3 29,-0.1 2,-0.6 -0.722 9.3-178.6-147.7 94.0 -5.3 -4.7 -1.3 24 24 A V E -bC 54 79A 0 29,-1.5 31,-1.7 -2,-0.3 2,-0.4 -0.826 13.4-156.6 -97.1 118.4 -3.6 -1.3 -1.8 25 25 A V E -bC 55 78A 0 53,-2.7 53,-2.5 -2,-0.6 2,-0.6 -0.789 1.3-154.0 -96.1 133.5 0.1 -1.3 -0.9 26 26 A D E -bC 56 77A 12 29,-2.3 31,-1.6 -2,-0.4 2,-0.8 -0.900 4.9-164.8-108.8 113.1 1.8 2.0 0.0 27 27 A F E +bC 57 76A 1 49,-3.0 49,-1.9 -2,-0.6 2,-0.3 -0.817 33.4 134.4 -98.9 105.1 5.6 2.2 -0.5 28 28 A S E -b 58 0A 13 29,-1.3 31,-1.3 -2,-0.8 2,-1.0 -0.918 60.8-101.0-142.9 169.1 7.0 5.2 1.3 29 29 A A > - 0 0 3 -2,-0.3 3,-0.9 29,-0.2 7,-0.4 -0.775 24.5-167.9 -96.3 99.1 9.9 6.1 3.6 30 30 A T T 3 S+ 0 0 60 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.840 92.8 54.4 -55.5 -27.5 8.5 6.2 7.2 31 31 A W T 3 S+ 0 0 172 -3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.842 94.3 84.5 -76.2 -30.5 11.8 7.8 8.1 32 32 A a < - 0 0 19 -3,-0.9 4,-0.2 1,-0.1 -4,-0.0 -0.160 69.8-148.7 -64.6 166.5 11.4 10.5 5.4 33 33 A G S > S+ 0 0 46 2,-0.1 4,-1.3 3,-0.1 -1,-0.1 0.843 90.2 41.3-102.5 -70.3 9.3 13.6 6.4 34 34 A P T 4 S+ 0 0 109 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 0.747 120.0 51.5 -52.9 -22.1 7.5 15.0 3.3 35 35 A a T >4 S+ 0 0 25 1,-0.2 3,-1.9 -6,-0.2 -2,-0.1 0.944 108.3 46.2 -81.3 -51.4 6.8 11.3 2.5 36 36 A K G >4 S+ 0 0 93 -7,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.619 95.5 81.8 -66.0 -8.2 5.3 10.3 5.8 37 37 A M G 3< S+ 0 0 144 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.706 81.7 62.7 -71.1 -16.4 3.3 13.5 5.6 38 38 A I G <> S+ 0 0 14 -3,-1.9 4,-1.2 1,-0.2 3,-0.4 0.082 76.7 93.5 -96.1 26.6 0.8 11.6 3.3 39 39 A K T <4 + 0 0 60 -3,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.776 68.8 67.7 -89.5 -24.9 -0.1 9.1 6.1 40 40 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.463 111.8 38.5 -73.1 3.7 -3.2 11.0 7.5 41 41 A F T > S+ 0 0 97 -3,-0.4 4,-1.2 3,-0.1 3,-0.3 0.715 123.5 29.0-114.5 -69.1 -4.8 10.2 4.1 42 42 A F T >< S+ 0 0 3 -4,-1.2 3,-1.3 1,-0.2 4,-0.3 0.994 129.7 38.9 -60.4 -63.0 -3.9 6.6 2.9 43 43 A H T 34 S+ 0 0 68 -5,-0.3 3,-0.3 -4,-0.3 -1,-0.2 0.576 110.5 66.9 -66.1 -3.3 -3.4 5.1 6.4 44 44 A S T >> S+ 0 0 53 -3,-0.3 3,-1.8 1,-0.2 4,-0.9 0.781 79.6 73.6 -88.4 -26.9 -6.4 7.2 7.4 45 45 A L H < + 0 0 98 -4,-2.7 3,-1.0 1,-0.1 -1,-0.3 -0.738 64.1 170.9-107.7 85.0 -13.3 2.2 4.7 50 50 A S T 3 S+ 0 0 98 -2,-0.8 -1,-0.1 -3,-0.3 -4,-0.1 0.583 73.7 69.9 -70.4 -5.5 -13.1 -0.7 7.2 51 51 A N T 3 S+ 0 0 107 -3,-0.1 -29,-0.4 2,-0.0 2,-0.4 -0.004 85.5 84.9-100.6 30.8 -13.7 -3.0 4.2 52 52 A V S < S- 0 0 6 -3,-1.0 2,-0.7 -6,-0.1 -29,-0.1 -0.989 71.0-136.2-132.9 139.8 -10.3 -2.3 2.6 53 53 A I E - b 0 23A 38 -31,-1.0 -29,-1.5 -2,-0.4 2,-0.5 -0.832 23.0-171.3 -97.6 117.3 -6.9 -4.0 3.3 54 54 A F E -ab 2 24A 1 -53,-1.2 -51,-1.3 -2,-0.7 2,-0.4 -0.915 4.6-161.5-110.8 129.0 -4.0 -1.4 3.5 55 55 A L E -ab 3 25A 1 -31,-1.7 -29,-2.3 -2,-0.5 2,-0.6 -0.892 4.4-155.4-109.4 136.6 -0.4 -2.6 3.7 56 56 A E E -ab 4 26A 47 -53,-1.5 -51,-1.2 -2,-0.4 2,-0.5 -0.900 14.3-176.4-113.4 106.9 2.4 -0.3 4.9 57 57 A V E -ab 5 27A 1 -31,-1.6 -29,-1.3 -2,-0.6 2,-0.7 -0.874 16.8-146.3-105.4 131.6 5.9 -1.2 3.6 58 58 A D E > - b 0 28A 19 -53,-0.5 4,-2.5 -2,-0.5 3,-0.2 -0.831 6.1-149.4 -97.4 114.6 9.0 0.7 4.7 59 59 A V T 4 S+ 0 0 31 -31,-1.3 -1,-0.1 -2,-0.7 -30,-0.1 0.451 99.7 47.0 -63.2 8.0 11.6 0.9 1.9 60 60 A D T 4 S+ 0 0 80 2,-0.0 3,-0.4 3,-0.0 -1,-0.2 0.689 118.5 33.5-117.0 -37.7 14.2 0.9 4.7 61 61 A D T 4 S+ 0 0 86 -3,-0.2 3,-0.2 1,-0.2 -2,-0.2 0.876 130.4 34.7 -87.0 -40.2 13.0 -2.0 7.0 62 62 A A >X + 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-1.5 -0.302 69.0 148.8-106.9 48.8 11.7 -4.2 4.2 63 63 A Q H 3> + 0 0 134 -3,-0.4 4,-1.6 1,-0.3 5,-0.2 0.696 67.8 70.2 -57.1 -11.6 14.3 -3.2 1.5 64 64 A D H 3> S+ 0 0 59 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.916 101.8 40.2 -73.3 -40.2 13.7 -6.8 0.3 65 65 A V H <> S+ 0 0 5 -3,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.855 112.9 55.8 -76.0 -33.3 10.2 -5.9 -0.9 66 66 A A H <>S+ 0 0 15 -4,-1.7 5,-2.2 -8,-0.2 4,-0.4 0.899 109.2 47.2 -66.8 -37.4 11.3 -2.6 -2.3 67 67 A S H ><5S+ 0 0 93 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.964 115.6 42.9 -69.5 -50.3 14.0 -4.2 -4.4 68 68 A E H 3<5S+ 0 0 126 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.909 115.1 50.3 -63.4 -38.9 11.7 -7.0 -5.8 69 69 A A T 3<5S- 0 0 28 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.591 105.2-135.0 -75.8 -5.9 8.9 -4.4 -6.4 70 70 A E T < 5 + 0 0 158 -3,-1.0 2,-1.0 -4,-0.4 -3,-0.2 0.937 35.6 176.7 53.8 47.5 11.5 -2.2 -8.2 71 71 A V < + 0 0 24 -5,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.713 16.7 152.6 -86.5 104.0 10.3 0.9 -6.3 72 72 A K + 0 0 204 -2,-1.0 2,-0.2 1,-0.2 -1,-0.2 0.242 64.0 51.1-114.2 10.8 12.6 3.7 -7.4 73 73 A A S S- 0 0 60 18,-0.0 -1,-0.2 -45,-0.0 18,-0.1 -0.677 86.3-132.1-150.5 92.4 10.2 6.7 -6.9 74 74 A T S S+ 0 0 61 -2,-0.2 -46,-0.1 -3,-0.1 2,-0.1 -0.656 80.5 49.5 -93.0 153.7 8.4 7.0 -3.6 75 75 A P S S+ 0 0 22 0, 0.0 16,-0.8 0, 0.0 2,-0.4 0.515 75.6 163.0 -76.8 150.4 5.7 7.5 -2.6 76 76 A T E -CD 27 90A 17 -49,-1.9 -49,-3.0 14,-0.2 2,-0.5 -0.985 22.0-160.2-137.3 126.8 4.2 4.7 -4.8 77 77 A F E -CD 26 89A 2 12,-1.5 12,-2.2 -2,-0.4 2,-0.4 -0.909 9.6-170.0-109.0 127.7 0.8 3.1 -4.3 78 78 A Q E -CD 25 88A 17 -53,-2.5 -53,-2.7 -2,-0.5 2,-0.7 -0.899 15.0-141.6-116.7 145.2 0.1 -0.3 -5.9 79 79 A F E +CD 24 87A 0 8,-3.1 7,-2.3 -2,-0.4 8,-0.7 -0.894 25.3 176.4-109.2 110.7 -3.3 -2.1 -6.2 80 80 A F E -CD 23 85A 28 -57,-3.3 -57,-1.1 -2,-0.7 2,-0.3 -0.779 5.9-178.2-110.5 156.6 -3.1 -5.9 -5.7 81 81 A K E > S- D 0 84A 58 3,-1.3 3,-2.1 -2,-0.3 -59,-0.1 -0.970 72.2 -8.0-154.6 134.7 -6.0 -8.4 -5.6 82 82 A K T 3 S- 0 0 131 -61,-0.5 3,-0.1 -63,-0.3 -62,-0.1 0.628 132.7 -57.2 54.5 4.3 -6.1 -12.2 -5.0 83 83 A G T 3 S+ 0 0 37 1,-0.3 2,-0.4 -68,-0.1 -1,-0.3 0.739 115.9 114.9 97.5 27.4 -2.3 -11.7 -5.3 84 84 A Q E < S-D 81 0A 128 -3,-2.1 -3,-1.3 -69,-0.1 2,-0.6 -0.988 70.4-120.7-132.4 128.1 -2.3 -10.1 -8.8 85 85 A K E +D 80 0A 103 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.514 37.6 167.7 -67.7 112.8 -1.3 -6.5 -9.6 86 86 A V E - 0 0 68 -7,-2.3 2,-0.2 -2,-0.6 -1,-0.2 0.158 63.6 -9.6-112.8 17.7 -4.5 -5.0 -11.2 87 87 A G E +D 79 0A 29 -8,-0.7 -8,-3.1 17,-0.0 -1,-0.3 -0.796 58.4 177.4 162.0 155.1 -3.5 -1.3 -11.1 88 88 A E E +D 78 0A 100 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.2 -0.965 2.3 179.7-171.2 156.0 -0.8 1.1 -9.8 89 89 A F E -D 77 0A 25 -12,-2.2 -12,-1.5 -2,-0.3 2,-0.4 -0.894 16.9-144.0-167.0 133.4 0.2 4.8 -9.9 90 90 A S E +D 76 0A 78 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.859 50.8 92.0-104.9 134.9 3.0 6.9 -8.4 91 91 A G S S- 0 0 28 -16,-0.8 2,-2.1 -2,-0.4 -14,-0.1 -0.650 79.5 -96.0 154.4 147.8 2.4 10.5 -7.2 92 92 A A S S+ 0 0 66 -2,-0.2 2,-0.9 -18,-0.1 3,-0.2 -0.248 72.8 134.2 -80.4 54.3 1.5 12.4 -4.0 93 93 A N >> + 0 0 75 -2,-2.1 4,-1.1 1,-0.2 3,-0.8 -0.726 25.1 172.6-105.5 84.2 -2.2 12.5 -5.1 94 94 A K H 3> S+ 0 0 70 -2,-0.9 4,-0.7 1,-0.3 3,-0.2 0.860 79.6 57.9 -60.8 -33.1 -4.1 11.6 -2.0 95 95 A E H 3> S+ 0 0 152 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.809 97.8 61.6 -69.1 -25.6 -7.4 12.4 -3.8 96 96 A K H <> S+ 0 0 86 -3,-0.8 4,-3.1 1,-0.2 5,-0.4 0.903 90.2 66.8 -68.3 -37.4 -6.6 9.8 -6.5 97 97 A L H X S+ 0 0 1 -4,-1.1 4,-2.8 -3,-0.2 5,-0.2 0.888 102.3 50.3 -50.7 -36.6 -6.5 6.9 -3.9 98 98 A E H X S+ 0 0 116 -4,-0.7 4,-2.9 -3,-0.4 5,-0.3 0.995 112.4 41.6 -67.1 -62.1 -10.3 7.6 -3.5 99 99 A A H < S+ 0 0 67 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.7 46.3 -54.1 -38.6 -11.2 7.5 -7.2 100 100 A T H >X S+ 0 0 17 -4,-3.1 3,-2.0 2,-0.2 4,-1.3 0.959 111.1 49.4 -71.3 -49.0 -8.9 4.5 -7.7 101 101 A I H 3< S+ 0 0 7 -4,-2.8 4,-0.5 -5,-0.4 -2,-0.2 0.926 110.0 51.9 -56.8 -41.7 -10.1 2.6 -4.6 102 102 A N T 3< S+ 0 0 116 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.558 102.0 67.6 -72.3 -2.4 -13.7 3.1 -5.8 103 103 A E T <4 S+ 0 0 136 -3,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.953 113.4 21.6 -81.4 -55.6 -12.5 1.7 -9.2 104 104 A L < 0 0 48 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.207 360.0 360.0 -97.7 17.4 -11.8 -1.9 -8.2 105 105 A V 0 0 134 -4,-0.5 -1,-0.2 -5,-0.2 -83,-0.1 0.886 360.0 360.0 -66.9 360.0 -14.0 -1.8 -5.1