==== 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 OXIDOREDUCTASE 17-JUL-09 3IC4 . COMPND 2 MOLECULE: GLUTAREDOXIN (GRX-1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR R.ZHANG,X.XU,H.CUI,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWES . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 9.8 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 1.1 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.3 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 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 -9 A G 0 0 115 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.1 11.2 7.8 17.8 2 -8 A G + 0 0 89 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.916 360.0 137.2 82.9 32.1 8.6 8.9 17.4 3 -7 A R - 0 0 218 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.969 34.0-160.0-156.5 158.0 9.8 12.4 17.4 4 -6 A E - 0 0 61 -2,-0.3 2,-0.3 5,-0.0 -2,-0.0 -0.997 30.9-102.6-148.6 152.4 9.6 15.9 15.8 5 -5 A N > - 0 0 78 -2,-0.3 4,-1.1 1,-0.1 3,-0.1 -0.538 21.4-140.4 -76.8 133.7 11.6 19.0 15.7 6 -4 A L T 4>S+ 0 0 113 -2,-0.3 5,-1.9 1,-0.2 6,-0.2 0.840 102.4 50.2 -56.6 -39.2 10.5 22.0 17.9 7 -3 A Y T >45S+ 0 0 87 1,-0.2 3,-1.4 3,-0.2 5,-0.4 0.859 104.1 56.3 -78.7 -26.4 11.2 24.5 15.2 8 -2 A F T 345S+ 0 0 17 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.850 105.2 56.6 -66.9 -28.8 9.3 22.7 12.6 9 -1 A Q T 3<5S- 0 0 110 -4,-1.1 -1,-0.3 1,-0.0 -2,-0.2 0.145 127.9 -92.4 -94.7 19.1 6.4 22.9 15.0 10 0 A G T < 5S+ 0 0 55 -3,-1.4 -3,-0.2 1,-0.0 64,-0.1 0.531 87.0 125.1 92.2 8.8 6.4 26.8 15.3 11 1 A X < + 0 0 122 -5,-1.9 2,-0.3 3,-0.0 -4,-0.2 0.629 50.1 89.2 -83.2 -12.5 8.7 27.3 18.3 12 2 A A S S- 0 0 20 -5,-0.4 62,-0.3 -6,-0.2 3,-0.2 -0.615 71.2-142.6 -76.7 145.1 11.2 29.7 16.6 13 3 A E S S+ 0 0 150 1,-0.3 61,-0.5 -2,-0.3 2,-0.4 0.950 96.9 19.7 -69.4 -42.4 10.3 33.4 16.7 14 4 A V S S- 0 0 3 24,-0.4 26,-2.1 59,-0.1 2,-0.4 -0.992 77.6-176.4-128.2 129.6 11.7 33.6 13.1 15 5 A L E -aB 40 72A 11 57,-2.4 57,-3.0 -2,-0.4 2,-0.4 -0.991 7.8-162.0-128.6 131.4 12.1 30.5 10.9 16 6 A X E -aB 41 71A 0 24,-2.9 26,-2.8 -2,-0.4 2,-0.5 -0.934 1.5-162.9-108.4 135.3 13.6 30.2 7.4 17 7 A Y E +aB 42 70A 5 53,-2.9 53,-2.0 -2,-0.4 2,-0.3 -0.940 35.9 121.2-107.7 131.6 13.0 27.4 5.0 18 8 A G E -a 43 0A 0 24,-2.4 26,-2.7 -2,-0.5 27,-0.4 -0.927 58.2 -91.6-164.5-173.5 15.4 27.0 2.1 19 9 A L > - 0 0 58 -2,-0.3 3,-1.7 24,-0.2 6,-0.2 -0.991 26.2-137.5-115.5 141.9 18.0 25.1 0.2 20 10 A S T 3 S+ 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.708 104.6 52.2 -70.7 -25.1 21.6 25.5 1.1 21 11 A T T 3 S+ 0 0 101 4,-0.0 -1,-0.3 5,-0.0 -3,-0.0 0.430 86.3 100.9 -87.8 -4.2 22.5 25.6 -2.6 22 12 A C <> - 0 0 19 -3,-1.7 4,-2.5 1,-0.1 5,-0.2 -0.740 61.6-151.0 -94.1 127.9 20.1 28.3 -3.6 23 13 A P H > S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.810 98.2 53.4 -69.3 -26.7 21.5 31.9 -4.0 24 14 A H H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.903 111.1 47.3 -67.9 -40.8 18.2 33.5 -3.0 25 15 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 109.9 52.7 -65.6 -42.6 18.2 31.5 0.2 26 16 A K H X S+ 0 0 112 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.905 110.1 48.3 -56.2 -47.9 21.9 32.4 0.8 27 17 A R H X S+ 0 0 108 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 111.5 49.8 -59.9 -44.4 21.0 36.1 0.5 28 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 108.8 52.5 -64.3 -41.7 18.1 35.7 2.8 29 19 A L H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.917 109.9 48.5 -57.9 -45.9 20.2 33.9 5.4 30 20 A E H X S+ 0 0 102 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.878 109.1 54.3 -65.0 -36.0 22.8 36.7 5.3 31 21 A F H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.929 110.1 45.8 -57.2 -50.4 20.0 39.2 5.7 32 22 A L H X>S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 5,-0.7 0.885 111.7 52.2 -64.5 -38.3 18.7 37.5 8.9 33 23 A K H <5S+ 0 0 113 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.897 111.8 45.3 -61.8 -44.8 22.3 37.2 10.2 34 24 A R H <5S+ 0 0 233 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 103.9 64.8 -68.5 -33.6 22.9 40.9 9.8 35 25 A E H <5S- 0 0 47 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.809 98.6-136.6 -62.7 -32.6 19.5 41.8 11.3 36 26 A G T <5 + 0 0 63 -4,-1.1 2,-0.2 -3,-0.3 -3,-0.1 0.579 54.0 138.7 88.2 8.7 20.5 40.4 14.6 37 27 A V < - 0 0 45 -5,-0.7 2,-0.5 1,-0.1 -1,-0.3 -0.516 63.0-107.9 -82.7 144.8 17.3 38.5 15.3 38 28 A D + 0 0 143 -2,-0.2 -24,-0.4 2,-0.0 2,-0.3 -0.735 57.7 160.5 -66.4 127.1 17.2 35.0 16.8 39 29 A F - 0 0 42 -2,-0.5 2,-0.3 -26,-0.1 -24,-0.2 -0.961 32.2-143.7-147.6 161.0 16.2 32.8 13.9 40 30 A E E -a 15 0A 71 -26,-2.1 -24,-2.9 -2,-0.3 2,-0.4 -0.946 11.7-152.3-121.8 153.3 16.4 29.2 12.8 41 31 A V E -a 16 0A 45 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.978 4.3-160.2-128.7 135.8 16.9 27.7 9.3 42 32 A I E -a 17 0A 24 -26,-2.8 -24,-2.4 -2,-0.4 2,-0.8 -0.979 9.7-155.2-110.8 116.4 15.7 24.4 7.8 43 33 A W E > -a 18 0A 56 -2,-0.5 3,-1.5 -26,-0.2 4,-0.3 -0.808 2.7-164.0 -90.9 111.0 17.7 23.3 4.8 44 34 A I G > S+ 0 0 12 -26,-2.7 3,-1.4 -2,-0.8 -25,-0.2 0.834 86.5 62.9 -70.5 -30.0 15.3 21.1 2.9 45 35 A D G 3 S+ 0 0 38 -27,-0.4 -1,-0.3 1,-0.3 -26,-0.1 0.650 96.3 58.3 -67.0 -19.7 18.2 19.7 0.9 46 36 A K G < S+ 0 0 140 -3,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.430 97.5 79.3 -86.5 -4.3 19.8 18.2 4.1 47 37 A L < - 0 0 25 -3,-1.4 2,-0.3 -4,-0.3 -5,-0.0 -0.663 66.3-159.9 -96.5 159.6 16.6 16.2 4.7 48 38 A E >> - 0 0 138 -2,-0.2 4,-1.1 0, 0.0 3,-1.1 -0.960 43.7 -19.6-138.0 153.1 15.7 13.0 2.9 49 39 A G H 3> S- 0 0 43 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.169 123.5 -2.9 63.3-133.1 12.6 10.9 2.2 50 40 A E H 3> S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.817 132.2 57.6 -67.8 -33.0 9.5 11.4 4.3 51 41 A E H <> S+ 0 0 110 -3,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.930 110.5 44.9 -63.8 -43.1 11.2 14.0 6.6 52 42 A R H X S+ 0 0 79 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.930 112.5 51.3 -61.8 -46.4 11.9 16.1 3.4 53 43 A K H X S+ 0 0 124 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.897 108.3 52.6 -59.5 -40.1 8.3 15.5 2.1 54 44 A K H X S+ 0 0 95 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.909 110.8 45.6 -64.0 -42.0 6.9 16.7 5.4 55 45 A V H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.890 111.0 54.0 -69.5 -39.4 8.9 19.9 5.4 56 46 A I H X S+ 0 0 52 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.920 109.3 47.6 -57.8 -44.0 8.0 20.5 1.7 57 47 A E H X S+ 0 0 102 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.892 110.6 53.5 -68.0 -33.4 4.3 20.2 2.5 58 48 A K H X S+ 0 0 72 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.927 106.1 50.7 -64.6 -46.6 4.8 22.5 5.5 59 49 A V H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.901 111.8 50.0 -52.7 -45.4 6.4 25.2 3.3 60 50 A H H X S+ 0 0 66 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.885 105.5 55.5 -65.3 -39.1 3.4 24.9 1.0 61 51 A S H < S+ 0 0 82 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.791 114.5 41.1 -67.6 -24.3 1.0 25.2 3.8 62 52 A I H < S+ 0 0 41 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.925 131.4 19.0 -85.2 -52.0 2.6 28.5 4.7 63 53 A S H < S- 0 0 21 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.612 90.7-125.4 -99.4 -14.8 3.2 30.2 1.3 64 54 A G S < S+ 0 0 57 -4,-2.3 2,-0.2 -5,-0.3 -4,-0.2 0.437 83.4 87.0 76.7 5.4 0.8 28.3 -1.0 65 55 A S S S- 0 0 27 -6,-0.4 -1,-0.3 2,-0.2 -2,-0.3 -0.679 80.3-129.3-126.9 169.4 3.8 27.6 -3.2 66 56 A Y S S+ 0 0 134 -2,-0.2 2,-0.3 -3,-0.1 -6,-0.1 -0.150 76.7 107.4-108.1 35.9 6.6 25.0 -3.6 67 57 A S - 0 0 67 -8,-0.1 -2,-0.2 2,-0.1 -4,-0.1 -0.740 56.8-110.0-109.9 162.6 9.2 27.8 -3.7 68 58 A V S S+ 0 0 34 -2,-0.3 13,-0.1 11,-0.1 -50,-0.1 -0.911 73.9 56.5-140.7 161.8 11.8 29.0 -1.3 69 59 A P + 0 0 2 0, 0.0 11,-2.9 0, 0.0 2,-0.4 0.485 60.0 172.8 -73.0 152.5 13.1 31.0 0.6 70 60 A V E -BC 17 79A 0 -53,-2.0 -53,-2.9 9,-0.2 2,-0.5 -1.000 11.6-168.0-124.7 129.1 10.2 31.3 3.0 71 61 A V E -BC 16 78A 1 7,-2.4 7,-2.2 -2,-0.4 2,-0.4 -0.987 8.2-165.1-117.6 129.0 10.6 33.2 6.2 72 62 A V E +BC 15 77A 24 -57,-3.0 -57,-2.4 -2,-0.5 2,-0.4 -0.929 16.4 172.6-119.1 130.5 7.9 32.9 8.8 73 63 A K E > - C 0 76A 75 3,-2.2 3,-2.0 -2,-0.4 2,-0.2 -0.908 68.7 -49.6-135.8 114.0 7.2 35.1 11.9 74 64 A G T 3 S- 0 0 64 -61,-0.5 -62,-0.0 -2,-0.4 -64,-0.0 -0.483 122.0 -21.3 62.9-126.5 4.0 34.3 13.8 75 65 A D T 3 S+ 0 0 173 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.358 124.4 83.8 -94.9 6.5 1.2 34.2 11.2 76 66 A K E < +C 73 0A 142 -3,-2.0 -3,-2.2 13,-0.1 2,-0.3 -0.650 53.3 178.2-110.5 157.2 3.0 36.2 8.6 77 67 A H E -C 72 0A 74 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.978 22.3-143.0-149.2 162.4 5.5 35.1 6.0 78 68 A V E -C 71 0A 12 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.6 -0.999 13.3-155.4-125.2 131.7 7.7 36.4 3.1 79 69 A L E +C 70 0A 61 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.944 64.0 7.1-108.4 120.6 8.2 34.2 0.1 80 70 A G S S- 0 0 24 -11,-2.9 2,-0.9 -2,-0.6 -9,-0.1 -0.004 99.4 -60.4 95.7 161.0 11.4 35.1 -1.8 81 71 A Y + 0 0 78 -13,-0.1 2,-0.4 4,-0.0 -56,-0.1 -0.695 67.0 146.8 -78.2 104.3 14.4 37.4 -1.1 82 72 A N > - 0 0 53 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.886 33.7-158.6-139.5 114.7 12.9 40.9 -0.9 83 73 A E H > S+ 0 0 76 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.879 90.4 50.2 -66.7 -41.6 14.7 43.1 1.5 84 74 A E H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 114.3 45.1 -60.5 -48.0 11.9 45.6 2.1 85 75 A K H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.888 113.1 50.6 -65.8 -38.2 9.4 42.8 2.8 86 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.921 110.0 49.4 -66.5 -42.8 11.8 41.0 5.1 87 77 A K H X>S+ 0 0 71 -4,-2.7 4,-3.0 1,-0.2 5,-0.5 0.965 112.8 48.5 -61.1 -45.6 12.6 44.2 7.1 88 78 A E H X5S+ 0 0 118 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.904 112.2 48.7 -58.5 -44.3 8.8 44.8 7.5 89 79 A L H <5S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.937 119.6 36.9 -59.1 -48.4 8.2 41.2 8.6 90 80 A I H <5S+ 0 0 9 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.878 129.7 29.5 -77.7 -37.3 11.1 41.3 11.2 91 81 A R H <5 0 0 153 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.849 360.0 360.0 -97.0 -38.3 10.7 44.8 12.4 92 82 A G << 0 0 80 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.1 0.743 360.0 360.0 -75.2 360.0 7.0 45.7 12.0