==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 05-FEB-11 3QMX . COMPND 2 MOLECULE: GLUTAREDOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR R.B.SUTTON,D.B.KNAFF . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 10.1 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 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 1 0 0 0 1 1 0 0 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 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 -10 A M 0 0 181 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.2 34.1 -1.3 20.1 2 -9 A R + 0 0 253 2,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.223 360.0 70.6 -55.2 137.5 32.7 -1.9 23.6 3 -8 A G S S- 0 0 57 2,-0.1 2,-0.8 0, 0.0 0, 0.0 -0.805 88.0 -64.0 141.9 178.7 29.3 -3.5 23.6 4 -7 A S - 0 0 131 -2,-0.2 2,-0.4 2,-0.0 -2,-0.1 -0.853 57.9-172.1-105.9 99.3 27.3 -6.7 23.0 5 -6 A H - 0 0 93 -2,-0.8 2,-0.4 -4,-0.1 -2,-0.1 -0.755 20.4-136.3-109.2 136.8 27.6 -7.4 19.2 6 -5 A H - 0 0 140 -2,-0.4 2,-0.5 2,-0.0 4,-0.2 -0.721 20.6-163.2 -88.4 130.5 25.9 -9.9 17.0 7 -4 A H + 0 0 151 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.963 37.2 127.2-118.0 128.1 28.1 -11.7 14.4 8 -3 A H S S- 0 0 139 -2,-0.5 -1,-0.1 3,-0.1 -2,-0.0 -0.037 89.4 -78.9-166.6 48.4 26.8 -13.6 11.4 9 -2 A H S S+ 0 0 193 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.878 79.8 148.3 52.0 43.7 28.7 -12.2 8.4 10 -1 A H - 0 0 112 1,-0.2 -1,-0.1 -4,-0.2 4,-0.1 0.821 26.0-177.0 -71.0 -33.7 26.4 -9.2 8.3 11 0 A G + 0 0 67 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 -0.377 60.3 18.4 60.1-146.9 29.1 -6.9 7.0 12 1 A S S S- 0 0 114 1,-0.1 2,-0.2 -2,-0.0 0, 0.0 -0.289 95.6-111.1 -55.0 124.7 27.9 -3.3 6.7 13 2 A A + 0 0 100 -2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.398 51.9 156.0 -64.7 122.6 24.7 -2.9 8.8 14 3 A V - 0 0 133 -2,-0.2 2,-0.2 -4,-0.1 3,-0.0 -0.962 16.6-168.5-143.6 157.6 21.6 -2.4 6.6 15 4 A S - 0 0 76 -2,-0.3 83,-0.1 1,-0.1 0, 0.0 -0.789 39.4 -46.7-140.5-177.8 17.9 -3.0 7.2 16 5 A A - 0 0 15 -2,-0.2 2,-0.7 81,-0.2 -1,-0.1 -0.237 47.3-139.1 -57.8 134.7 14.5 -3.3 5.6 17 6 A K - 0 0 94 26,-0.1 57,-3.0 -3,-0.0 2,-0.5 -0.879 26.0-177.1 -99.3 110.1 13.7 -0.4 3.3 18 7 A I E +A 73 0A 9 -2,-0.7 26,-2.9 24,-0.3 2,-0.4 -0.949 3.2 177.5-119.7 123.3 10.0 0.6 3.9 19 8 A E E -Ab 72 44A 6 53,-2.8 53,-2.5 -2,-0.5 2,-0.4 -0.953 9.1-178.2-127.0 141.2 8.3 3.3 1.8 20 9 A I E -Ab 71 45A 0 24,-2.0 26,-3.0 -2,-0.4 2,-0.4 -0.972 14.6-151.0-140.6 124.8 4.8 4.7 1.8 21 10 A Y E +Ab 70 46A 19 49,-2.6 49,-1.2 -2,-0.4 2,-0.3 -0.817 33.9 160.9 -91.7 134.4 3.4 7.4 -0.5 22 11 A T E - b 0 47A 0 24,-2.3 26,-2.8 -2,-0.4 2,-0.4 -0.919 49.1-128.8-143.0 160.1 0.5 9.4 1.0 23 12 A W > - 0 0 94 -2,-0.3 3,-1.7 24,-0.2 7,-0.2 -0.983 38.5-131.4-101.3 135.6 -1.7 12.4 1.2 24 13 A S T 3 S+ 0 0 53 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.801 103.2 40.0 -57.5 -33.8 -1.4 13.5 4.8 25 14 A T T 3 S+ 0 0 113 4,-0.1 -1,-0.3 -3,-0.0 3,-0.0 0.299 82.5 118.5-103.1 7.4 -5.2 13.8 5.2 26 15 A C <> - 0 0 25 -3,-1.7 4,-2.8 1,-0.1 5,-0.2 -0.628 59.4-144.7 -74.2 127.2 -6.3 10.7 3.2 27 16 A P H > S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.808 99.9 50.0 -68.0 -28.3 -8.2 8.4 5.6 28 17 A F H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.886 111.2 48.7 -73.7 -40.9 -6.8 5.3 3.9 29 18 A C H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 110.5 52.0 -60.7 -44.6 -3.2 6.7 4.1 30 19 A M H X S+ 0 0 102 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.916 108.5 50.5 -59.7 -41.4 -3.8 7.5 7.8 31 20 A R H X S+ 0 0 118 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.886 112.1 46.9 -64.4 -39.8 -5.0 4.0 8.5 32 21 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.886 111.0 52.3 -68.1 -41.3 -1.9 2.5 6.8 33 22 A L H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.913 105.5 55.0 -61.3 -42.8 0.4 4.8 8.6 34 23 A A H X S+ 0 0 35 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.897 107.2 50.5 -58.0 -42.4 -1.1 3.8 11.9 35 24 A L H X S+ 0 0 5 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.937 111.7 46.1 -61.4 -49.6 -0.4 0.2 11.2 36 25 A L H X>S+ 0 0 0 -4,-2.0 5,-0.9 1,-0.2 4,-0.9 0.900 113.6 50.5 -59.9 -41.2 3.3 0.8 10.4 37 26 A K H ><5S+ 0 0 140 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.925 107.4 52.7 -64.4 -41.9 3.6 3.0 13.4 38 27 A R H 3<5S+ 0 0 156 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 103.9 57.4 -63.7 -30.5 2.1 0.3 15.7 39 28 A K H 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.751 103.5-136.8 -69.6 -23.7 4.6 -2.2 14.4 40 29 A G T <<5 + 0 0 66 -3,-0.9 -3,-0.2 -4,-0.9 -2,-0.1 0.586 51.0 146.1 79.3 9.9 7.4 0.2 15.6 41 30 A V < - 0 0 35 -5,-0.9 2,-0.4 1,-0.1 -1,-0.2 -0.350 54.6-109.1 -77.1 158.9 9.4 -0.2 12.4 42 31 A E + 0 0 163 -26,-0.1 2,-0.3 -2,-0.1 -24,-0.3 -0.765 51.2 162.0 -86.1 130.4 11.5 2.6 10.8 43 32 A F - 0 0 46 -2,-0.4 2,-0.5 -26,-0.1 -24,-0.2 -0.974 37.2-122.6-149.5 163.2 10.0 3.8 7.6 44 33 A Q E -b 19 0A 117 -26,-2.9 -24,-2.0 -2,-0.3 2,-0.5 -0.924 20.1-157.4-110.1 128.9 10.0 6.7 5.0 45 34 A E E -b 20 0A 74 -2,-0.5 2,-1.0 -26,-0.2 -24,-0.2 -0.916 4.8-156.5-104.8 125.0 6.8 8.5 4.2 46 35 A Y E -b 21 0A 78 -26,-3.0 -24,-2.3 -2,-0.5 2,-0.9 -0.818 12.6-164.6 -96.9 92.6 6.6 10.4 0.9 47 36 A C E +b 22 0A 65 -2,-1.0 -24,-0.2 -26,-0.2 -26,-0.1 -0.695 12.2 176.1 -80.4 108.5 3.9 12.9 1.6 48 37 A I > + 0 0 9 -26,-2.8 3,-2.7 -2,-0.9 7,-0.2 0.038 6.7 167.6-109.8 28.3 2.9 14.1 -1.8 49 38 A D T 3 S- 0 0 73 1,-0.3 -26,-0.1 -27,-0.2 3,-0.1 -0.129 78.4 -10.6 -39.4 121.6 0.0 16.5 -1.0 50 39 A G T 3 S+ 0 0 58 1,-0.2 2,-1.0 2,-0.1 -1,-0.3 0.471 99.9 131.5 66.1 3.1 -0.7 18.5 -4.1 51 40 A D <> + 0 0 71 -3,-2.7 4,-1.3 1,-0.2 -1,-0.2 -0.769 30.5 178.9 -97.9 98.5 2.4 17.3 -5.9 52 41 A N H > S+ 0 0 127 -2,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.896 80.4 53.2 -60.6 -45.7 1.5 16.1 -9.4 53 42 A E H > S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 107.2 50.7 -62.0 -43.3 5.0 15.2 -10.4 54 43 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 106.7 55.8 -65.6 -31.5 5.6 13.0 -7.4 55 44 A R H X S+ 0 0 55 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.863 106.4 50.2 -69.7 -34.7 2.3 11.1 -8.1 56 45 A E H X S+ 0 0 94 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.862 109.0 51.4 -71.8 -33.2 3.6 10.3 -11.6 57 46 A A H X S+ 0 0 58 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.913 111.4 48.9 -65.4 -42.3 6.8 9.0 -10.1 58 47 A M H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.2 0.947 108.4 52.5 -60.6 -50.2 4.7 6.9 -7.8 59 48 A A H 3<>S+ 0 0 4 -4,-2.6 5,-2.7 1,-0.3 6,-0.3 0.845 101.3 61.6 -55.0 -38.4 2.5 5.6 -10.6 60 49 A A H 3<5S+ 0 0 87 -4,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.808 115.3 33.0 -59.1 -32.8 5.7 4.5 -12.5 61 50 A R H <<5S+ 0 0 80 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.701 111.4 63.5 -91.3 -27.6 6.6 2.1 -9.7 62 51 A A T ><5S- 0 0 0 -4,-2.1 3,-1.6 3,-0.2 -1,-0.2 -0.106 121.7 -90.0 -98.4 36.6 3.1 1.1 -8.6 63 52 A N T 3 5S- 0 0 135 1,-0.3 -3,-0.2 -3,-0.3 3,-0.1 0.831 83.4 -58.5 63.3 33.2 1.9 -0.6 -11.7 64 53 A G T 3 S-AC 18 76A 5 3,-2.2 3,-1.6 -2,-0.4 -55,-0.2 -0.982 80.4 -13.6-128.2 121.1 9.0 -3.0 1.1 74 63 A D T 3 S- 0 0 79 -57,-3.0 -56,-0.1 -2,-0.4 -1,-0.1 0.868 129.5 -55.3 52.3 41.9 12.6 -3.8 -0.0 75 64 A D T 3 S+ 0 0 101 -58,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.403 111.7 123.3 76.6 -1.3 11.7 -2.3 -3.4 76 65 A Q E < -C 73 0A 122 -3,-1.6 -3,-2.2 1,-0.0 2,-0.5 -0.795 66.9-122.2 -91.4 131.1 8.7 -4.7 -3.9 77 66 A H E +C 72 0A 43 -2,-0.5 -5,-0.2 -5,-0.2 -15,-0.0 -0.574 31.5 176.4 -69.7 119.5 5.3 -3.1 -4.4 78 67 A I E - 0 0 24 -7,-3.1 2,-0.4 -2,-0.5 -6,-0.2 0.789 36.0-131.6 -94.1 -32.7 3.1 -4.4 -1.7 79 68 A G E -C 71 0A 5 -8,-1.4 -8,-2.8 4,-0.1 -1,-0.3 -0.914 36.0 -35.4 121.1-144.2 -0.0 -2.3 -2.6 80 69 A G S > S- 0 0 13 -2,-0.4 4,-2.2 -10,-0.2 5,-0.2 -0.126 71.1 -69.4-107.9-161.6 -2.4 -0.2 -0.6 81 70 A C H > S+ 0 0 6 -12,-0.2 4,-2.4 1,-0.2 5,-0.3 0.945 129.8 48.1 -60.3 -50.5 -4.0 0.1 2.8 82 71 A D H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 110.3 53.8 -59.0 -37.5 -6.3 -2.9 2.2 83 72 A D H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 110.5 44.9 -65.1 -43.8 -3.3 -5.0 1.0 84 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 114.3 48.0 -71.1 -38.4 -1.2 -4.3 4.0 85 74 A Y H X S+ 0 0 67 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.905 111.5 51.8 -65.1 -39.3 -4.0 -5.0 6.5 86 75 A A H X S+ 0 0 62 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.928 109.0 50.3 -61.1 -45.4 -4.8 -8.2 4.6 87 76 A L H <>S+ 0 0 41 -4,-2.3 5,-2.9 2,-0.2 6,-0.6 0.929 111.5 48.0 -56.8 -47.3 -1.2 -9.3 4.9 88 77 A D H ><5S+ 0 0 48 -4,-2.2 3,-1.6 4,-0.2 -2,-0.2 0.925 108.1 54.5 -62.0 -45.0 -1.2 -8.6 8.6 89 78 A G H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.9 48.0 -57.5 -29.5 -4.5 -10.5 9.1 90 79 A A T 3<5S- 0 0 57 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.461 117.3-113.1 -90.7 -3.5 -2.9 -13.5 7.4 91 80 A G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.673 88.8 112.4 79.5 19.9 0.2 -13.3 9.5 92 81 A K >< + 0 0 121 -5,-2.9 4,-0.6 -6,-0.2 -4,-0.2 0.464 56.1 69.3-104.3 -5.9 2.3 -12.4 6.4 93 82 A L H > S+ 0 0 0 -6,-0.6 4,-0.9 2,-0.2 3,-0.5 0.898 90.6 57.4 -84.0 -42.0 3.3 -8.8 7.2 94 83 A D H >>>S+ 0 0 67 1,-0.2 3,-1.5 2,-0.2 5,-1.0 0.932 103.8 54.2 -55.3 -46.4 5.7 -9.4 10.1 95 84 A P H 345S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.847 106.5 53.0 -55.9 -35.1 7.9 -11.6 8.0 96 85 A L H 3<5S+ 0 0 56 -4,-0.6 -2,-0.2 -3,-0.5 -3,-0.1 0.706 108.6 49.2 -70.2 -18.5 8.2 -8.9 5.3 97 86 A L H <<5S- 0 0 12 -3,-1.5 -81,-0.2 -4,-0.9 -1,-0.2 0.597 128.7-110.8 -90.7 -15.1 9.3 -6.3 7.9 98 87 A H T <5 0 0 106 -4,-0.5 -4,-0.1 -3,-0.5 -2,-0.1 -0.481 360.0 360.0-117.9 58.8 11.1 -8.7 8.4 99 88 A S < 0 0 127 -5,-1.0 -3,-0.0 -6,-0.2 0, 0.0 -0.816 360.0 360.0 167.8 360.0 9.8 -9.8 11.8