==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JAN-08 3C1R . COMPND 2 MOLECULE: GLUTAREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.YU,C.Z.ZHOU . 110 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.1 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 . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.5 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 0 0 0 0 2 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 0 A H 0 0 216 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.2 12.7 -7.0 29.5 2 1 A M + 0 0 169 63,-0.1 2,-0.3 2,-0.1 64,-0.1 0.688 360.0 63.8 -82.6 -24.9 14.5 -3.7 29.5 3 2 A V S S- 0 0 18 62,-0.1 60,-0.0 1,-0.1 59,-0.0 -0.707 83.2-100.8-114.4 157.4 11.7 -1.5 28.0 4 3 A S > - 0 0 55 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.298 26.0-124.5 -68.1 153.0 8.2 -0.3 29.0 5 4 A Q H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.826 112.3 63.4 -63.9 -32.3 5.1 -2.0 27.5 6 5 A E H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 106.9 41.5 -54.8 -50.6 4.1 1.5 26.4 7 6 A T H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 113.0 53.2 -67.1 -43.4 7.2 1.7 24.1 8 7 A I H X S+ 0 0 17 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.901 111.9 45.8 -58.2 -43.0 6.8 -1.9 22.9 9 8 A K H X S+ 0 0 117 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.890 110.9 52.7 -68.7 -39.4 3.2 -1.2 21.9 10 9 A H H X S+ 0 0 86 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 111.7 45.1 -61.0 -45.9 4.1 2.1 20.3 11 10 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 112.1 52.1 -65.5 -43.5 6.8 0.4 18.1 12 11 A K H X S+ 0 0 118 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.886 109.4 51.5 -58.9 -38.4 4.4 -2.4 17.3 13 12 A D H X S+ 0 0 78 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.928 108.4 49.8 -61.0 -48.4 1.9 0.2 16.3 14 13 A L H X S+ 0 0 18 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.888 111.9 49.4 -57.5 -40.6 4.4 2.0 13.9 15 14 A I H < S+ 0 0 13 -4,-2.4 68,-0.4 1,-0.2 -1,-0.2 0.891 117.4 40.0 -64.8 -42.2 5.2 -1.4 12.4 16 15 A A H < S+ 0 0 80 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.821 114.4 50.6 -78.4 -35.6 1.6 -2.3 11.8 17 16 A E H < S+ 0 0 139 -4,-2.9 2,-0.4 -5,-0.1 -1,-0.2 0.679 100.4 68.1 -80.0 -21.0 0.3 1.2 10.7 18 17 A N S < S- 0 0 48 -4,-1.1 65,-0.4 -5,-0.2 3,-0.2 -0.867 70.7-140.1-110.2 137.2 2.9 1.9 8.0 19 18 A E S S+ 0 0 73 -2,-0.4 63,-3.3 29,-0.3 2,-0.4 0.886 99.6 12.7 -57.7 -40.8 3.3 0.2 4.6 20 19 A I E S-aB 49 81A 0 28,-1.1 30,-2.8 61,-0.2 2,-0.4 -0.998 72.1-171.2-135.9 135.3 7.1 0.5 5.2 21 20 A F E -aB 50 80A 0 59,-2.3 59,-2.7 -2,-0.4 2,-0.5 -0.995 3.3-174.7-126.1 127.3 8.7 1.4 8.4 22 21 A V E -aB 51 79A 0 28,-3.2 30,-2.1 -2,-0.4 2,-0.6 -0.955 14.5-152.8-127.4 117.0 12.5 2.1 8.6 23 22 A A E +aB 52 78A 0 55,-3.3 55,-1.6 -2,-0.5 2,-0.2 -0.742 37.9 158.1 -79.5 121.8 14.3 2.7 11.8 24 23 A S E -a 53 0A 4 28,-3.6 30,-3.3 -2,-0.6 31,-0.3 -0.746 34.5-139.1-136.7-173.6 17.3 4.9 10.9 25 24 A K - 0 0 70 28,-0.3 3,-0.5 -2,-0.2 2,-0.1 -0.968 33.7 -98.8-140.5 156.0 19.9 7.3 12.0 26 25 A T S S+ 0 0 46 -2,-0.3 29,-0.1 1,-0.2 5,-0.0 -0.476 106.7 15.8 -68.1 148.1 21.5 10.4 10.6 27 26 A Y S S+ 0 0 229 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.930 85.9 145.9 49.9 58.4 24.9 9.8 8.8 28 27 A a > - 0 0 21 -3,-0.5 4,-2.6 1,-0.1 3,-0.4 -0.951 38.5-158.3-128.5 100.2 24.4 6.1 8.7 29 28 A P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.868 93.4 44.9 -51.9 -43.9 26.0 4.6 5.5 30 29 A Y H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.780 111.0 53.8 -74.7 -27.2 23.9 1.4 5.5 31 30 A a H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.938 110.2 48.2 -66.2 -47.3 20.7 3.4 6.2 32 31 A H H X S+ 0 0 129 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.924 109.4 53.1 -58.0 -46.4 21.5 5.5 3.2 33 32 A A H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.923 111.3 45.8 -53.7 -47.8 22.1 2.3 1.1 34 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 115.2 45.4 -66.7 -43.5 18.7 0.9 2.0 35 34 A L H X>S+ 0 0 31 -4,-2.5 4,-3.1 2,-0.2 5,-0.5 0.861 110.7 53.6 -68.2 -38.7 16.8 4.1 1.4 36 35 A N H X>S+ 0 0 58 -4,-2.8 5,-2.2 -5,-0.2 4,-1.8 0.920 110.2 48.7 -59.3 -44.4 18.6 4.8 -1.9 37 36 A T H <>S+ 0 0 13 -4,-2.1 5,-2.6 -5,-0.2 6,-0.2 0.966 117.9 40.0 -57.9 -55.0 17.5 1.3 -3.0 38 37 A L H <5S+ 0 0 0 -4,-2.4 6,-2.8 3,-0.2 -2,-0.2 0.936 128.8 26.9 -59.6 -52.5 13.9 1.8 -2.0 39 38 A F H <5S+ 0 0 23 -4,-3.1 -3,-0.2 4,-0.2 -2,-0.2 0.845 132.7 26.4 -86.5 -40.8 13.4 5.4 -3.1 40 39 A E T < - 0 0 52 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.360 22.8-140.3 -55.0 125.1 6.9 6.5 -3.1 46 45 A R G > S+ 0 0 141 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.833 100.3 63.6 -52.6 -36.6 8.5 8.3 -0.1 47 46 A S G 3 S+ 0 0 120 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.670 96.7 58.5 -68.2 -14.5 5.1 9.2 1.3 48 47 A K G < S+ 0 0 60 -3,-1.9 -28,-1.1 -30,-0.1 2,-0.4 0.500 98.2 73.7 -87.3 -9.2 4.4 5.4 1.8 49 48 A V E < -a 20 0A 16 -3,-1.8 2,-0.7 -4,-0.3 -28,-0.2 -0.933 66.2-151.4-115.1 128.9 7.5 5.0 4.0 50 49 A L E -a 21 0A 52 -30,-2.8 -28,-3.2 -2,-0.4 2,-0.5 -0.870 17.5-173.4 -97.1 118.9 7.9 6.1 7.6 51 50 A V E -a 22 0A 35 -2,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.959 2.3-167.5-112.2 120.2 11.6 6.8 8.4 52 51 A L E -a 23 0A 26 -30,-2.1 -28,-3.6 -2,-0.5 2,-0.9 -0.918 15.2-147.8-107.9 133.0 12.6 7.6 12.0 53 52 A Q E > -a 24 0A 74 -2,-0.5 3,-1.1 1,-0.2 -28,-0.3 -0.861 15.2-169.8 -96.6 102.2 16.0 9.0 12.9 54 53 A L G > S+ 0 0 3 -30,-3.3 3,-2.0 -2,-0.9 6,-0.3 0.869 77.9 61.1 -62.6 -42.0 16.5 7.5 16.3 55 54 A N G 3 S+ 0 0 74 -31,-0.3 -1,-0.2 1,-0.3 -30,-0.1 0.676 105.9 49.6 -60.4 -19.6 19.6 9.5 17.3 56 55 A D G < S+ 0 0 114 -3,-1.1 2,-0.4 4,-0.1 -1,-0.3 0.225 96.6 84.3-106.8 9.9 17.5 12.7 17.0 57 56 A M S X S- 0 0 68 -3,-2.0 3,-1.2 1,-0.1 4,-0.3 -0.912 71.3-140.4-112.4 142.5 14.6 11.6 19.1 58 57 A K T 3 S+ 0 0 198 -2,-0.4 3,-0.4 1,-0.2 4,-0.3 0.904 112.7 47.8 -58.6 -43.7 14.3 11.7 22.9 59 58 A E T 3> S+ 0 0 89 1,-0.2 4,-2.8 2,-0.1 -1,-0.2 0.321 87.1 107.9 -79.8 9.1 12.6 8.3 22.7 60 59 A G H <> S+ 0 0 1 -3,-1.2 4,-2.5 -6,-0.3 -1,-0.2 0.919 78.5 38.1 -56.6 -62.5 15.4 7.2 20.4 61 60 A A H > S+ 0 0 83 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.878 117.4 54.6 -55.9 -40.6 17.4 4.8 22.5 62 61 A D H > S+ 0 0 42 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.894 108.6 47.4 -62.0 -42.5 14.1 3.6 24.0 63 62 A I H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.931 111.7 50.8 -66.0 -43.6 12.7 2.8 20.5 64 63 A Q H X S+ 0 0 39 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.871 110.5 49.0 -58.6 -40.9 16.0 1.0 19.5 65 64 A A H X S+ 0 0 37 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.897 109.5 52.4 -69.2 -39.9 15.8 -1.1 22.7 66 65 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.912 107.8 51.5 -58.4 -45.9 12.1 -2.0 22.0 67 66 A L H X>S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 5,-0.7 0.884 105.8 55.4 -60.1 -40.6 13.1 -3.1 18.4 68 67 A Y H X5S+ 0 0 96 -4,-1.9 4,-1.9 4,-0.2 -1,-0.2 0.927 111.3 44.1 -57.0 -44.0 15.8 -5.4 19.9 69 68 A E H <5S+ 0 0 63 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.917 117.4 45.4 -68.4 -40.5 13.2 -7.1 22.1 70 69 A I H <5S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.917 136.4 6.2 -69.8 -46.9 10.6 -7.3 19.3 71 70 A N H <5S- 0 0 35 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.466 91.7-117.9-122.0 -4.9 12.9 -8.6 16.5 72 71 A G S < S-BC 20 84A 1 3,-2.3 3,-2.3 -2,-0.4 -61,-0.2 -0.997 76.2 -15.5-126.8 125.8 7.6 -4.1 4.9 82 81 A N T 3 S- 0 0 100 -63,-3.3 -63,-0.1 -2,-0.4 -62,-0.1 0.840 129.1 -53.1 51.0 38.4 3.8 -4.7 5.2 83 82 A G T 3 S+ 0 0 42 -68,-0.4 2,-0.4 -65,-0.4 -1,-0.3 0.301 113.4 118.1 85.8 -7.8 4.3 -5.6 8.9 84 83 A K E < -C 81 0A 102 -3,-2.3 -3,-2.3 -69,-0.1 2,-0.4 -0.770 69.3-117.4 -97.3 132.5 7.0 -8.2 8.2 85 84 A H E +C 80 0A 60 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.0 -0.547 34.1 172.6 -69.8 119.0 10.5 -7.8 9.6 86 85 A I E - 0 0 14 -7,-3.1 2,-0.4 -2,-0.4 -6,-0.2 0.889 29.7-144.0 -90.9 -51.8 13.0 -7.5 6.8 87 86 A G E -C 79 0A 2 -8,-1.3 -8,-3.2 4,-0.1 -1,-0.3 -0.979 38.8 -31.8 125.1-139.5 16.2 -6.7 8.7 88 87 A G S > S- 0 0 10 -2,-0.4 4,-2.0 -10,-0.2 5,-0.1 -0.227 79.8 -70.9-102.2-163.6 19.0 -4.4 7.7 89 88 A N H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.846 128.9 58.4 -60.1 -39.4 20.4 -3.5 4.3 90 89 A D H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 109.5 45.4 -54.6 -49.0 22.0 -6.9 3.7 91 90 A D H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.0 52.3 -62.3 -45.1 18.6 -8.5 4.1 92 91 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.912 111.7 46.4 -58.7 -44.4 16.9 -6.0 1.8 93 92 A Q H X S+ 0 0 44 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.862 110.3 53.3 -69.4 -37.0 19.5 -6.7 -0.9 94 93 A E H X S+ 0 0 125 -4,-2.0 4,-1.4 2,-0.2 6,-0.2 0.925 110.5 46.5 -62.4 -46.0 19.2 -10.4 -0.5 95 94 A L H X>S+ 0 0 24 -4,-2.4 6,-2.0 1,-0.2 5,-1.0 0.856 112.0 52.3 -61.9 -36.5 15.4 -10.3 -1.0 96 95 A R H ><5S+ 0 0 86 -4,-1.8 3,-1.1 4,-0.2 6,-0.2 0.937 106.7 53.4 -63.7 -44.2 15.9 -8.0 -4.0 97 96 A E H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.9 47.1 -65.8 -34.1 18.3 -10.4 -5.6 98 97 A T H 3<5S- 0 0 93 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.562 114.7-112.2 -80.1 -13.2 16.0 -13.4 -5.4 99 98 A G T < + 0 0 105 -5,-1.0 4,-2.0 -6,-0.2 -4,-0.2 0.859 67.5 59.8 -68.9 -38.3 11.2 -11.7 -3.4 101 100 A L H > S+ 0 0 1 -6,-2.0 4,-2.5 1,-0.2 5,-0.2 0.900 99.3 57.8 -58.7 -42.1 11.3 -8.0 -2.7 102 101 A E H > S+ 0 0 153 -7,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.901 109.9 44.5 -52.3 -46.0 9.4 -7.2 -6.0 103 102 A E H < S+ 0 0 151 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.7 52.4 -72.0 -31.3 6.5 -9.4 -4.6 104 103 A L H < S+ 0 0 46 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.869 113.8 43.8 -69.5 -35.4 6.7 -7.9 -1.2 105 104 A L H X S+ 0 0 6 -4,-2.5 4,-2.8 -5,-0.2 3,-0.3 0.657 92.4 85.9 -83.1 -19.9 6.5 -4.3 -2.6 106 105 A E H X S+ 0 0 119 -4,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.893 89.3 45.5 -51.7 -53.1 3.7 -5.1 -5.1 107 106 A P H 4 S+ 0 0 57 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.836 115.5 50.1 -64.5 -31.3 0.7 -4.6 -2.8 108 107 A I H 4 S+ 0 0 0 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.1 0.908 104.7 54.2 -70.8 -46.4 2.2 -1.4 -1.5 109 108 A L H < 0 0 93 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.1 0.565 360.0 360.0 -66.1 -5.9 2.9 0.0 -5.0 110 109 A A < 0 0 100 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.561 360.0 360.0-114.7 360.0 -0.8 -0.6 -5.6