==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-FEB-98 1JHB . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.SUN,J.H.BUSHWELLER . 105 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.5 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 . 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 34.3 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 0 0 1 0 1 1 0 1 1 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 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 33 0, 0.0 58,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 104.3 -1.7 15.3 -8.2 2 3 A Q > + 0 0 114 2,-0.1 4,-2.3 3,-0.1 3,-0.3 0.780 360.0 61.4-112.4 -47.5 -4.2 12.5 -9.0 3 4 A E H > S+ 0 0 133 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.718 93.1 66.9 -57.3 -31.2 -2.7 10.5 -11.9 4 5 A F H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.983 114.3 27.0 -59.4 -60.6 0.5 9.5 -9.9 5 6 A V H > S+ 0 0 0 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.934 121.1 58.3 -63.6 -45.8 -1.4 7.3 -7.4 6 7 A N H < S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.892 115.7 32.2 -55.8 -50.2 -4.2 6.5 -9.9 7 8 A C H < S+ 0 0 99 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.708 111.1 65.8 -81.2 -25.7 -1.9 5.1 -12.6 8 9 A K H < S+ 0 0 81 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.879 95.7 66.9 -65.6 -38.4 0.6 3.6 -10.1 9 10 A I < + 0 0 11 -4,-2.1 5,-0.1 -5,-0.1 65,-0.1 -0.530 61.2 162.1 -75.9 154.8 -2.0 1.1 -8.8 10 11 A Q > - 0 0 91 3,-0.2 66,-1.2 -2,-0.2 3,-0.6 -0.931 45.7 -93.7-146.9 166.9 -3.4 -1.7 -11.0 11 12 A P T 3 S+ 0 0 95 0, 0.0 65,-0.1 0, 0.0 64,-0.1 -0.472 111.1 38.6 -65.6 158.6 -5.3 -4.9 -10.3 12 13 A G T 3 S+ 0 0 31 1,-0.2 2,-0.3 -2,-0.1 62,-0.0 0.807 102.0 87.7 62.5 32.8 -2.8 -7.8 -9.9 13 14 A K S < S- 0 0 50 -3,-0.6 62,-2.5 60,-0.1 2,-0.8 -0.955 71.6-135.6-145.6 151.6 -0.1 -5.8 -8.0 14 15 A V E +aB 42 74A 0 27,-2.3 29,-2.6 -2,-0.3 2,-0.3 -0.774 35.9 178.4-103.7 79.2 0.4 -5.1 -4.3 15 16 A V E -aB 43 73A 0 58,-1.5 58,-3.2 -2,-0.8 2,-0.4 -0.663 7.3-172.8 -85.1 140.7 1.2 -1.4 -4.5 16 17 A V E -aB 44 72A 0 27,-2.6 29,-2.6 -2,-0.3 2,-0.4 -0.970 17.3-142.0-138.0 115.8 1.8 0.4 -1.2 17 18 A F E +aB 45 71A 0 54,-2.4 54,-2.2 -2,-0.4 2,-0.3 -0.711 38.5 156.8 -81.5 131.9 2.2 4.2 -1.0 18 19 A I E -a 46 0A 14 27,-2.7 29,-2.2 -2,-0.4 30,-0.2 -0.879 35.9-147.9-140.6 171.3 4.9 5.1 1.6 19 20 A K > - 0 0 40 -2,-0.3 3,-1.3 27,-0.2 6,-0.3 -0.969 23.0-133.9-140.1 143.9 7.4 7.7 2.7 20 21 A P T 3 S+ 0 0 97 0, 0.0 6,-0.1 0, 0.0 26,-0.0 0.603 105.5 66.0 -73.1 -11.0 10.8 6.8 4.4 21 22 A T T 3 S+ 0 0 102 4,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.542 82.6 86.7 -89.5 -9.3 10.0 9.6 7.0 22 23 A C X> - 0 0 12 -3,-1.3 4,-0.8 1,-0.1 3,-0.5 -0.842 65.2-159.6 -78.3 123.6 7.0 7.6 8.3 23 24 A P H 3> S+ 0 0 98 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.804 94.6 62.9 -66.7 -23.7 8.2 5.1 11.0 24 25 A Y H 3> S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.803 91.4 61.6 -73.4 -28.9 4.9 3.3 10.1 25 26 A C H <> S+ 0 0 2 -3,-0.5 4,-2.0 -6,-0.3 -1,-0.2 0.880 100.4 55.2 -68.0 -32.1 6.0 2.7 6.5 26 27 A R H X S+ 0 0 186 -4,-0.8 4,-1.6 -3,-0.3 -1,-0.2 0.885 107.3 50.3 -65.9 -38.3 8.9 0.6 7.9 27 28 A R H >X S+ 0 0 125 -4,-1.1 4,-2.7 2,-0.2 3,-0.6 0.974 110.1 48.7 -57.5 -59.6 6.4 -1.6 9.9 28 29 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.839 106.4 59.8 -52.9 -35.9 4.3 -2.1 6.8 29 30 A Q H 3X S+ 0 0 65 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.885 113.5 34.1 -61.4 -46.0 7.5 -3.1 4.9 30 31 A E H < S+ 0 0 0 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.2 0.926 118.6 52.2 -79.6 -48.4 4.0 -7.2 4.1 33 34 A S H 3< S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.572 97.4 69.5 -70.6 -6.2 7.4 -8.4 2.9 34 35 A Q T 3< S+ 0 0 126 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.1 0.696 87.5 83.0 -73.8 -21.3 7.3 -11.3 5.5 35 36 A L S < S- 0 0 33 -3,-1.8 2,-0.6 -5,-0.2 -3,-0.0 -0.650 92.5-109.3 -93.9 142.1 4.5 -13.0 3.5 36 37 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 69,-0.2 -0.565 55.1 162.8 -72.1 109.8 5.2 -15.2 0.4 37 38 A I - 0 0 27 -2,-0.6 67,-0.2 67,-0.2 66,-0.1 -0.942 47.9 -81.1-133.7 149.8 3.9 -13.1 -2.5 38 39 A K >> - 0 0 75 65,-0.7 3,-2.1 -2,-0.3 4,-0.5 -0.303 59.3-102.8 -53.0 127.7 4.5 -13.1 -6.3 39 40 A Q T 34 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.300 105.3 19.9 -60.1 131.1 7.8 -11.5 -7.1 40 41 A G T 34 S+ 0 0 49 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.005 100.6 92.9 96.3 -19.9 7.4 -8.0 -8.4 41 42 A L T <4 + 0 0 22 -3,-2.1 -27,-2.3 -28,-0.1 2,-0.8 0.841 67.5 75.8 -73.9 -34.4 3.9 -7.5 -7.0 42 43 A L E < +a 14 0A 36 -4,-0.5 2,-0.4 -29,-0.2 -2,-0.2 -0.731 63.5 168.7 -83.4 111.3 4.9 -5.9 -3.7 43 44 A E E -a 15 0A 77 -29,-2.6 -27,-2.6 -2,-0.8 2,-0.9 -0.945 26.4-157.4-129.1 108.8 5.8 -2.4 -4.7 44 45 A F E -a 16 0A 57 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.782 20.1-162.5 -83.9 102.5 6.4 0.3 -2.1 45 46 A V E -a 17 0A 8 -29,-2.6 -27,-2.7 -2,-0.9 2,-0.2 -0.766 14.4-125.9 -88.8 137.4 5.8 3.5 -4.1 46 47 A D E -a 18 0A 38 -2,-0.4 -27,-0.2 -29,-0.2 4,-0.2 -0.599 16.6-163.3 -93.1 149.5 7.2 6.6 -2.5 47 48 A I S S+ 0 0 1 -29,-2.2 -28,-0.2 -2,-0.2 10,-0.1 0.197 92.4 31.7-112.6 10.2 5.2 9.9 -1.8 48 49 A T S S+ 0 0 69 -30,-0.2 3,-0.4 4,-0.1 -29,-0.1 0.477 99.4 77.5-133.8 -20.4 8.2 12.2 -1.3 49 50 A A S S- 0 0 71 1,-0.2 -2,-0.1 3,-0.1 -30,-0.0 0.816 119.4 -1.4 -59.3 -36.0 10.9 10.8 -3.7 50 51 A T S S+ 0 0 113 -4,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.025 126.7 31.0-149.3 20.7 9.5 12.2 -7.0 51 52 A N S S- 0 0 35 -3,-0.4 2,-0.3 -47,-0.0 3,-0.1 -0.472 90.5 -68.2-156.6-148.6 6.2 14.1 -6.3 52 53 A H >> - 0 0 119 1,-0.2 4,-2.2 -2,-0.2 3,-0.6 -0.915 27.6-167.8-137.1 100.8 4.3 16.2 -3.7 53 54 A T H 3> S+ 0 0 40 -2,-0.3 4,-3.3 1,-0.2 5,-0.4 0.979 90.4 61.0 -42.1 -63.3 3.2 14.2 -0.6 54 55 A N H 34 S+ 0 0 144 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.649 112.7 35.1 -43.8 -33.1 1.0 17.2 0.3 55 56 A E H <> S+ 0 0 87 -3,-0.6 4,-2.5 2,-0.1 3,-0.4 0.921 120.1 45.5 -86.4 -60.7 -1.0 16.8 -2.9 56 57 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.775 111.0 54.4 -54.8 -33.9 -1.0 13.0 -3.3 57 58 A Q H X S+ 0 0 33 -4,-3.3 4,-1.9 -5,-0.2 -1,-0.2 0.912 110.3 46.3 -73.6 -40.7 -1.9 12.4 0.4 58 59 A D H > S+ 0 0 96 -4,-0.5 4,-1.7 -3,-0.4 -2,-0.2 0.889 113.0 49.5 -65.3 -44.6 -4.9 14.7 0.0 59 60 A Y H X S+ 0 0 36 -4,-2.5 4,-2.9 2,-0.2 3,-0.3 0.949 109.4 51.6 -58.5 -48.1 -5.9 12.9 -3.2 60 61 A L H X>S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 6,-0.7 0.862 104.5 59.4 -56.8 -36.4 -5.5 9.6 -1.3 61 62 A Q H X5S+ 0 0 78 -4,-1.9 4,-1.8 4,-0.2 -1,-0.2 0.928 113.2 36.3 -54.9 -50.5 -7.8 11.1 1.4 62 63 A Q H <5S+ 0 0 174 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.898 121.1 45.6 -68.7 -45.3 -10.6 11.5 -1.2 63 64 A L H <5S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.815 132.0 17.0 -75.8 -30.8 -9.8 8.3 -3.2 64 65 A T H <5S- 0 0 37 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.496 103.4-106.7-123.7 -12.8 -9.5 6.0 -0.1 65 66 A G S < S-BC 14 77A 1 3,-2.0 3,-1.7 -2,-0.6 -60,-0.2 -0.806 77.0 -33.6 -83.6 107.8 -3.8 -5.0 -2.7 75 76 A G T 3 S- 0 0 14 -62,-2.5 -1,-0.2 -2,-0.9 -61,-0.1 0.871 126.2 -37.5 38.4 81.5 -4.8 -5.1 -6.4 76 77 A K T 3 S+ 0 0 119 -66,-1.2 2,-0.5 -3,-0.3 -1,-0.3 0.457 119.7 106.9 46.4 16.7 -6.8 -1.9 -6.8 77 78 A D E < -C 74 0A 68 -3,-1.7 -3,-2.0 20,-0.0 2,-0.6 -0.966 63.8-147.0-117.0 110.8 -8.3 -2.3 -3.3 78 79 A C E -C 73 0A 27 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.735 11.5-169.5 -69.3 117.1 -7.0 0.1 -0.7 79 80 A I E - 0 0 20 -7,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.729 43.7-107.1 -83.5 -21.8 -7.1 -2.1 2.5 80 81 A G E -C 72 0A 14 -8,-0.8 -8,-1.8 -3,-0.1 -1,-0.3 -0.945 48.1 -44.5 130.5-155.8 -6.3 0.9 4.7 81 82 A G S > S- 0 0 14 -2,-0.3 4,-2.6 -10,-0.2 -10,-0.2 -0.170 73.0 -74.1 -98.6-168.7 -3.3 2.0 6.7 82 83 A C H > S+ 0 0 15 -12,-0.4 4,-2.2 2,-0.2 5,-0.1 0.779 127.8 62.5 -68.8 -24.7 -0.9 -0.0 8.9 83 84 A S H > S+ 0 0 102 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.959 112.2 37.1 -60.6 -49.2 -3.6 -0.2 11.7 84 85 A D H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 113.1 58.9 -67.5 -41.3 -5.8 -2.2 9.4 85 86 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.852 102.9 53.3 -56.6 -39.3 -2.8 -4.0 7.9 86 87 A V H X S+ 0 0 61 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.928 110.4 47.0 -61.9 -46.1 -2.0 -5.3 11.4 87 88 A S H X S+ 0 0 67 -4,-1.4 4,-3.5 1,-0.2 5,-0.5 0.967 112.9 48.1 -58.6 -56.5 -5.6 -6.7 11.8 88 89 A L H < S+ 0 0 16 -4,-2.7 6,-2.3 1,-0.2 7,-0.5 0.798 114.7 46.6 -64.7 -27.1 -5.5 -8.3 8.3 89 90 A Q H < S+ 0 0 57 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.964 118.9 39.7 -68.0 -54.1 -2.1 -9.8 9.1 90 91 A Q H < S+ 0 0 165 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.844 121.8 42.0 -69.3 -40.8 -3.0 -11.1 12.6 91 92 A S S < S- 0 0 81 -4,-3.5 -1,-0.3 -5,-0.2 -3,-0.2 0.588 108.5-129.1 -70.6 -20.5 -6.6 -12.3 11.5 92 93 A G S >> S+ 0 0 25 -5,-0.5 4,-1.0 -4,-0.3 3,-1.0 0.490 72.6 128.3 75.9 6.6 -4.9 -13.6 8.3 93 94 A E H 3> + 0 0 103 -6,-0.4 4,-2.6 1,-0.3 -4,-0.2 0.862 64.1 64.7 -62.6 -32.0 -7.5 -11.7 6.2 94 95 A L H 3> S+ 0 0 0 -6,-2.3 4,-2.9 1,-0.2 -1,-0.3 0.838 95.0 57.1 -56.4 -40.9 -4.6 -10.2 4.2 95 96 A L H <> S+ 0 0 49 -3,-1.0 4,-2.6 -7,-0.5 9,-0.3 0.941 111.1 41.7 -63.1 -47.7 -3.6 -13.6 2.8 96 97 A T H X S+ 0 0 111 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.953 113.7 53.8 -60.8 -49.5 -7.1 -14.2 1.3 97 98 A R H X S+ 0 0 89 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.888 114.4 42.4 -51.2 -48.8 -7.2 -10.5 0.2 98 99 A L H ><>S+ 0 0 0 -4,-2.9 3,-1.2 2,-0.2 5,-1.0 0.888 105.9 58.5 -64.9 -49.3 -3.9 -11.0 -1.6 99 100 A K H ><5S+ 0 0 117 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.848 95.2 65.6 -67.4 -25.1 -4.4 -14.4 -3.2 100 101 A Q H 3<5S+ 0 0 166 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.906 100.3 52.0 -48.2 -46.2 -7.4 -13.1 -5.1 101 102 A I T <<5S- 0 0 28 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.332 126.8-103.4 -79.7 8.0 -5.0 -10.8 -7.0 102 103 A G T < 5S+ 0 0 41 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.851 82.6 129.0 76.7 34.2 -2.8 -13.9 -7.9 103 104 A A < + 0 0 0 -5,-1.0 -65,-0.7 -8,-0.1 -4,-0.2 0.969 33.6 80.9 -84.3 -74.5 -0.1 -13.0 -5.3 104 105 A L 0 0 34 -9,-0.3 -67,-0.2 -67,-0.2 -2,-0.0 -0.159 360.0 360.0 -62.6 133.8 0.8 -15.8 -2.9 105 106 A Q 0 0 184 -69,-0.2 -6,-0.0 0, 0.0 0, 0.0 -0.895 360.0 360.0-161.7 360.0 3.3 -18.2 -4.4