==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-APR-08 3CTG . COMPND 2 MOLECULE: GLUTAREDOXIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.YU,Y.B.TENG,C.Z.ZHOU . 108 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.3 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 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 . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.7 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 0 1 0 0 0 1 0 1 1 1 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 36 A V 0 0 112 0, 0.0 2,-0.1 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 98.6 -20.1 28.5 8.3 2 37 A S > - 0 0 52 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.348 360.0-124.3 -75.5 155.1 -23.7 28.5 7.0 3 38 A Q H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.785 111.7 60.0 -67.8 -27.0 -26.0 25.5 7.1 4 39 A E H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 106.5 44.9 -65.9 -45.9 -26.6 26.0 3.3 5 40 A T H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.905 112.8 51.7 -64.5 -41.7 -22.8 25.5 2.6 6 41 A V H X S+ 0 0 19 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.932 110.3 48.2 -60.3 -46.7 -22.7 22.5 5.0 7 42 A A H X S+ 0 0 61 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.887 110.9 52.1 -61.2 -39.8 -25.6 20.9 3.2 8 43 A H H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 108.8 49.3 -64.0 -43.2 -24.0 21.6 -0.1 9 44 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.866 107.6 53.8 -65.9 -35.5 -20.7 19.9 1.0 10 45 A K H X S+ 0 0 122 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.887 108.2 52.1 -65.4 -33.8 -22.6 16.9 2.2 11 46 A D H X S+ 0 0 88 -4,-1.7 4,-0.7 2,-0.2 3,-0.5 0.950 108.7 48.9 -63.5 -49.6 -24.1 16.7 -1.3 12 47 A L H >X S+ 0 0 16 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.902 107.2 56.2 -56.7 -43.5 -20.7 16.8 -2.9 13 48 A I H 3< S+ 0 0 11 -4,-2.5 68,-0.4 1,-0.3 -1,-0.2 0.851 112.0 43.0 -59.0 -34.2 -19.5 14.1 -0.5 14 49 A G H 3< S+ 0 0 59 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.475 92.0 83.6 -92.9 -1.1 -22.3 11.8 -1.7 15 50 A Q H << S+ 0 0 98 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.898 101.7 22.0 -68.0 -41.0 -22.1 12.6 -5.4 16 51 A K S < S- 0 0 88 -4,-0.7 65,-0.3 -3,-0.2 31,-0.1 -0.880 80.0-118.5-125.1 158.3 -19.3 10.1 -6.1 17 52 A E S S+ 0 0 61 -2,-0.3 63,-3.6 29,-0.2 2,-0.5 0.855 104.0 45.6 -64.9 -35.2 -18.2 7.0 -4.1 18 53 A V E S-aB 47 79A 0 28,-2.2 30,-2.6 61,-0.2 2,-0.4 -0.950 71.2-177.3-115.6 121.8 -14.7 8.4 -3.5 19 54 A F E -aB 48 78A 1 59,-3.0 59,-2.5 -2,-0.5 2,-0.4 -0.955 2.8-179.6-119.0 133.4 -14.4 12.0 -2.3 20 55 A V E -aB 49 77A 0 28,-2.3 30,-2.7 -2,-0.4 2,-0.6 -0.970 14.3-160.3-136.9 122.9 -11.2 13.9 -1.7 21 56 A A E +aB 50 76A 0 55,-2.5 55,-1.6 -2,-0.4 2,-0.2 -0.890 36.6 149.1 -97.1 117.6 -10.8 17.4 -0.5 22 57 A A E -a 51 0A 0 28,-3.6 30,-2.4 -2,-0.6 31,-0.4 -0.794 43.6-126.3-139.3-176.1 -7.2 18.6 -1.4 23 58 A K > - 0 0 45 -2,-0.2 3,-1.4 28,-0.2 6,-0.2 -0.993 26.6-126.3-133.9 138.0 -4.9 21.4 -2.3 24 59 A T T 3 S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.2 27,-0.0 0.738 106.1 44.9 -56.4 -29.7 -2.7 21.4 -5.4 25 60 A Y T 3 S+ 0 0 152 4,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.425 85.5 110.3 -98.5 0.6 0.6 22.1 -3.6 26 61 A C <> - 0 0 14 -3,-1.4 4,-2.2 1,-0.1 5,-0.1 -0.661 53.1-158.4 -84.0 121.1 0.1 19.8 -0.6 27 62 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.782 95.4 56.1 -66.1 -27.3 2.5 16.8 -0.5 28 63 A Y H > S+ 0 0 149 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.895 108.6 47.4 -71.3 -38.7 0.1 14.9 1.8 29 64 A C H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.907 110.0 53.1 -66.4 -42.3 -2.6 15.4 -0.8 30 65 A K H X S+ 0 0 99 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 108.9 49.2 -60.3 -40.7 -0.3 14.2 -3.6 31 66 A A H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.905 112.5 48.3 -65.1 -41.4 0.5 11.0 -1.7 32 67 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.918 112.8 46.5 -65.5 -45.2 -3.2 10.3 -1.1 33 68 A L H X>S+ 0 0 31 -4,-2.7 4,-2.4 2,-0.2 5,-0.6 0.873 112.8 51.2 -66.3 -35.8 -4.2 10.9 -4.7 34 69 A S H X>S+ 0 0 45 -4,-2.2 5,-2.8 -5,-0.3 4,-1.8 0.944 110.3 49.2 -65.6 -46.3 -1.3 8.8 -5.9 35 70 A T H <>S+ 0 0 6 -4,-2.4 5,-2.3 3,-0.2 6,-0.2 0.944 119.0 37.5 -57.0 -51.3 -2.3 5.9 -3.6 36 71 A L H <5S+ 0 0 0 -4,-2.4 6,-2.8 3,-0.2 -2,-0.2 0.950 130.6 23.2 -68.4 -54.3 -5.9 6.0 -4.7 37 72 A F H <5S+ 0 0 17 -4,-2.4 -3,-0.2 4,-0.2 -2,-0.2 0.744 132.4 30.3 -92.7 -25.0 -5.7 6.7 -8.4 38 73 A Q T < - 0 0 32 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.387 25.4-146.9 -59.5 124.1 -11.6 4.5 -11.2 44 79 A K G > S+ 0 0 140 1,-0.3 3,-1.6 -2,-0.2 5,-0.1 0.772 95.9 68.1 -61.1 -26.6 -11.5 8.3 -11.5 45 80 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.624 97.9 53.0 -69.6 -11.2 -15.0 8.3 -12.9 46 81 A K G < S+ 0 0 31 -3,-1.9 -28,-2.2 -30,-0.1 2,-0.3 0.081 103.1 77.2-108.8 22.3 -16.2 7.2 -9.4 47 82 A A E < -a 18 0A 12 -3,-1.6 2,-0.5 -30,-0.2 -28,-0.2 -0.964 57.2-158.0-135.8 150.9 -14.4 10.0 -7.6 48 83 A L E -a 19 0A 38 -30,-2.6 -28,-2.3 -2,-0.3 2,-0.6 -0.976 17.2-173.3-125.4 111.7 -14.8 13.7 -7.0 49 84 A V E -a 20 0A 51 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.943 6.0-160.9-110.4 118.4 -11.6 15.4 -6.1 50 85 A L E -a 21 0A 13 -30,-2.7 -28,-3.6 -2,-0.6 2,-1.0 -0.890 9.6-159.4-102.3 124.0 -11.8 19.0 -5.1 51 86 A E E > -a 22 0A 40 -2,-0.6 3,-2.5 -30,-0.2 -28,-0.2 -0.829 11.9-166.4 -98.1 90.4 -8.7 21.2 -5.2 52 87 A L G > S+ 0 0 5 -30,-2.4 3,-1.7 -2,-1.0 6,-0.4 0.763 82.1 61.8 -51.8 -34.2 -9.9 23.9 -2.8 53 88 A D G 3 S+ 0 0 64 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.648 109.1 44.4 -70.8 -9.0 -7.1 26.3 -3.7 54 89 A E G < S+ 0 0 142 -3,-2.5 2,-0.4 4,-0.0 -1,-0.3 0.071 97.5 90.2-117.2 18.6 -8.6 26.3 -7.2 55 90 A M S X S- 0 0 69 -3,-1.7 3,-1.8 1,-0.1 4,-0.2 -0.964 73.0-140.3-115.5 132.8 -12.2 26.6 -6.0 56 91 A S T 3 S+ 0 0 134 -2,-0.4 3,-0.2 1,-0.3 4,-0.1 0.773 108.5 40.8 -62.9 -24.5 -13.8 30.1 -5.6 57 92 A N T 3> S+ 0 0 57 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 -0.032 80.4 125.5-111.2 27.9 -15.5 28.8 -2.4 58 93 A G H <> S+ 0 0 5 -3,-1.8 4,-2.3 -6,-0.4 5,-0.2 0.888 72.6 45.5 -54.4 -49.4 -12.5 26.7 -1.2 59 94 A S H > S+ 0 0 75 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 112.9 51.8 -65.2 -37.7 -12.2 28.2 2.3 60 95 A E H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 110.3 48.9 -65.5 -39.1 -15.9 27.9 2.8 61 96 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 110.6 50.4 -66.9 -41.1 -15.8 24.3 1.8 62 97 A Q H X S+ 0 0 37 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.908 110.4 49.4 -65.1 -39.9 -12.9 23.6 4.1 63 98 A D H X S+ 0 0 77 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.899 111.1 50.3 -64.9 -38.4 -14.7 25.3 7.0 64 99 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.896 107.6 53.9 -65.3 -39.8 -17.8 23.2 6.2 65 100 A L H X>S+ 0 0 4 -4,-2.5 4,-3.1 1,-0.2 6,-0.6 0.854 105.4 53.5 -63.2 -34.8 -15.6 20.0 6.2 66 101 A E H X5S+ 0 0 75 -4,-1.8 4,-1.8 3,-0.2 -1,-0.2 0.902 110.7 46.8 -66.8 -39.2 -14.3 20.9 9.7 67 102 A E H <5S+ 0 0 136 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.928 119.3 40.5 -65.1 -44.8 -17.9 21.1 10.9 68 103 A I H <5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.858 134.4 16.8 -73.0 -40.1 -18.9 17.9 9.2 69 104 A S H <5S- 0 0 26 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.586 90.3-125.9-111.7 -15.9 -15.8 15.8 9.9 70 105 A G S < S-BC 18 82A 5 3,-2.3 3,-1.8 -2,-0.4 -61,-0.2 -0.989 77.0 -14.8-130.3 121.1 -15.5 6.7 0.7 80 115 A N T 3 S- 0 0 77 -63,-3.6 -63,-0.1 -2,-0.4 -62,-0.1 0.880 130.1 -51.9 53.7 43.0 -19.2 5.9 0.2 81 116 A G T 3 S+ 0 0 45 -68,-0.4 2,-0.4 -64,-0.3 -1,-0.3 0.423 113.1 117.9 78.5 -0.9 -20.2 8.7 2.5 82 117 A K E < -C 79 0A 152 -3,-1.8 -3,-2.3 -69,-0.1 2,-0.4 -0.857 68.6-117.3-106.0 134.4 -17.9 7.6 5.4 83 118 A H E +C 78 0A 73 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.512 33.1 172.6 -69.7 120.4 -15.1 9.8 6.7 84 119 A I E - 0 0 31 -7,-3.1 2,-0.4 -2,-0.4 -6,-0.2 0.820 33.1-141.1 -95.2 -41.6 -11.7 8.1 6.2 85 120 A G E -C 77 0A 2 -8,-1.5 -8,-2.9 4,-0.1 -1,-0.3 -0.916 33.6 -32.1 120.6-145.0 -9.4 10.9 7.3 86 121 A G S > S- 0 0 8 -2,-0.4 4,-2.3 -10,-0.2 5,-0.2 -0.231 73.1 -73.0-104.8-165.8 -6.1 12.1 6.0 87 122 A N H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 128.8 50.4 -59.9 -42.8 -3.1 10.6 4.3 88 123 A S H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 111.1 50.0 -64.7 -36.4 -1.7 8.9 7.4 89 124 A D H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 109.8 51.1 -66.2 -40.9 -5.2 7.4 8.0 90 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 107.7 53.0 -62.1 -43.3 -5.2 6.1 4.5 91 126 A E H X S+ 0 0 54 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 107.8 50.6 -60.1 -40.5 -1.8 4.6 4.9 92 127 A T H X S+ 0 0 88 -4,-1.8 4,-1.9 1,-0.2 6,-0.2 0.925 113.0 45.4 -64.7 -43.3 -2.9 2.7 8.0 93 128 A L H <>S+ 0 0 27 -4,-2.0 6,-2.2 2,-0.2 5,-0.5 0.850 111.4 53.5 -67.9 -35.1 -6.0 1.3 6.1 94 129 A K H ><5S+ 0 0 50 -4,-2.5 3,-0.8 4,-0.2 -2,-0.2 0.939 111.3 45.4 -64.6 -45.4 -3.8 0.4 3.1 95 130 A K H 3<5S+ 0 0 171 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.813 113.3 46.7 -70.3 -34.0 -1.4 -1.6 5.2 96 131 A N T 3<5S- 0 0 86 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.344 112.2-113.7 -92.6 8.8 -3.9 -3.6 7.3 97 132 A G T <>5S+ 0 0 34 -3,-0.8 4,-1.4 -4,-0.3 -3,-0.1 0.339 87.4 112.3 81.4 -7.1 -6.0 -4.5 4.3 98 133 A K H > S+ 0 0 1 -6,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.923 105.4 49.7 -66.5 -43.2 -8.7 -0.0 2.4 100 135 A A H 4 S+ 0 0 55 -7,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.892 111.9 50.4 -61.8 -38.9 -8.9 -2.8 -0.2 101 136 A E H >< S+ 0 0 124 -4,-1.4 3,-1.2 1,-0.2 -2,-0.2 0.942 110.4 46.0 -66.4 -48.1 -12.0 -4.1 1.6 102 137 A I H 3< S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 112.2 52.9 -69.7 -19.6 -13.9 -0.8 1.7 103 138 A L T >X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.2 3,-1.6 0.506 80.5 98.1 -91.3 -4.0 -13.1 -0.1 -1.9 104 139 A K T <4 S+ 0 0 141 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.891 83.8 47.0 -49.9 -48.1 -14.4 -3.5 -3.1 105 140 A P T 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.649 115.0 49.8 -71.9 -9.9 -17.8 -2.1 -4.2 106 141 A V T <4 S+ 0 0 0 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.871 87.7 88.7 -92.7 -45.8 -15.9 0.7 -6.0 107 142 A F < 0 0 71 -4,-2.5 -65,-0.1 1,-0.1 -66,-0.1 -0.234 360.0 360.0 -54.7 140.9 -13.3 -1.1 -8.1 108 143 A Q 0 0 224 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.249 360.0 360.0-156.7 360.0 -14.6 -2.2 -11.5