==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-NOV-99 1DE2 . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR Y.WANG,D.S.WISHART . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 13.8 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 27.6 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+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 1 0 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 . 2 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 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 1 A M 0 0 102 0, 0.0 30,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 108.7 2.5 -3.3 10.8 2 2 A F E -a 31 0A 10 28,-1.3 30,-3.7 68,-0.1 2,-0.6 -0.505 360.0-135.2 -78.1 143.9 3.1 -2.3 7.2 3 3 A K E -aB 32 69A 61 66,-2.3 66,-1.3 28,-0.2 2,-0.7 -0.892 14.1-159.4-104.9 118.9 0.5 -0.1 5.5 4 4 A V E -aB 33 68A 6 28,-1.8 30,-1.8 -2,-0.6 2,-1.1 -0.863 3.9-155.7-101.7 117.3 -0.6 -1.0 2.0 5 5 A Y E +aB 34 67A 8 62,-2.9 62,-2.8 -2,-0.7 2,-0.2 -0.765 56.7 81.4 -92.6 98.8 -2.1 1.8 -0.0 6 6 A G E S-a 35 0A 0 28,-2.1 30,-1.9 -2,-1.1 2,-0.4 -0.618 79.9 -56.4-160.6-140.2 -4.3 0.1 -2.6 7 7 A Y - 0 0 13 28,-0.2 10,-0.1 -2,-0.2 28,-0.1 -0.992 27.8-179.2-131.8 134.2 -7.7 -1.5 -3.0 8 8 A D + 0 0 64 -2,-0.4 2,-0.3 29,-0.1 27,-0.1 -0.479 60.8 47.0-128.4 62.4 -9.4 -4.3 -1.0 9 9 A S B > S-D 12 0B 78 3,-0.6 3,-0.8 -2,-0.1 -2,-0.0 -0.959 95.7 -76.8-172.8-172.1 -12.8 -4.8 -2.6 10 10 A N T 3 S+ 0 0 166 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.391 112.0 78.0 -86.1 2.2 -14.9 -5.2 -5.8 11 11 A I T 3 S+ 0 0 58 1,-0.2 2,-0.3 26,-0.1 -1,-0.2 0.460 107.9 14.2 -87.4 -4.0 -14.6 -1.5 -6.4 12 12 A H B < S-D 9 0B 70 -3,-0.8 -3,-0.6 2,-0.0 -1,-0.2 -0.935 75.8-116.5-170.0 145.1 -11.1 -1.9 -7.7 13 13 A K + 0 0 162 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.1 -0.295 27.6 176.4 -80.9 168.7 -8.7 -4.6 -8.9 14 14 A C + 0 0 46 -8,-0.1 4,-0.4 -2,-0.1 -2,-0.0 -0.597 17.7 170.2-177.9 110.6 -5.4 -5.6 -7.2 15 15 A V S >> S+ 0 0 75 -2,-0.2 4,-1.1 2,-0.1 3,-0.9 0.867 84.4 54.2 -90.6 -46.0 -2.8 -8.3 -8.1 16 16 A Y H 3> S+ 0 0 117 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.721 97.0 70.1 -62.2 -22.3 0.0 -7.3 -5.8 17 17 A C H 3> S+ 0 0 18 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.898 97.1 50.2 -63.1 -41.1 -2.4 -7.4 -2.9 18 18 A D H <> S+ 0 0 130 -3,-0.9 4,-1.6 -4,-0.4 -2,-0.2 0.958 120.8 32.4 -62.0 -54.5 -2.7 -11.2 -3.1 19 19 A N H X S+ 0 0 54 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.953 117.4 53.9 -69.4 -51.7 1.1 -11.8 -3.1 20 20 A A H X S+ 0 0 8 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.852 107.6 54.7 -51.8 -36.4 2.1 -8.9 -0.9 21 21 A K H X S+ 0 0 119 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.979 113.2 38.0 -62.1 -57.8 -0.4 -10.2 1.7 22 22 A R H X S+ 0 0 189 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.758 109.5 68.4 -65.2 -23.8 1.1 -13.7 1.9 23 23 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.974 105.7 36.2 -58.5 -58.7 4.5 -12.1 1.6 24 24 A L H X>S+ 0 0 3 -4,-1.9 5,-2.4 1,-0.2 4,-0.8 0.881 117.6 53.7 -63.2 -39.2 4.4 -10.4 5.0 25 25 A T H <5S+ 0 0 77 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.889 109.1 49.2 -62.9 -39.5 2.6 -13.3 6.4 26 26 A V H <5S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.3 48.8 -65.8 -46.0 5.3 -15.7 5.2 27 27 A K H <5S- 0 0 73 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.625 119.6-114.0 -69.6 -12.2 8.1 -13.5 6.6 28 28 A K T <5 + 0 0 166 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.1 0.942 69.6 133.6 77.9 52.7 6.1 -13.5 9.9 29 29 A Q < - 0 0 90 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.998 49.5-128.4-136.7 138.2 5.3 -9.8 10.0 30 30 A P + 0 0 80 0, 0.0 -28,-1.3 0, 0.0 2,-0.3 -0.399 32.0 168.1 -80.7 159.8 1.9 -8.0 10.8 31 31 A F E -a 2 0A 50 -30,-0.4 2,-0.4 -2,-0.1 -28,-0.2 -0.976 25.7-132.3-161.6 170.8 0.4 -5.3 8.6 32 32 A E E -a 3 0A 106 -30,-3.7 -28,-1.8 -2,-0.3 2,-0.2 -0.999 17.1-138.7-138.0 135.2 -2.7 -3.2 7.9 33 33 A F E -a 4 0A 37 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.1 -0.525 12.6-163.9 -89.6 158.5 -4.5 -2.5 4.6 34 34 A I E -a 5 0A 24 -30,-1.8 -28,-2.1 -2,-0.2 2,-0.5 -0.947 10.2-145.1-147.7 121.2 -5.9 0.8 3.5 35 35 A N E -a 6 0A 65 -2,-0.3 -28,-0.2 -30,-0.2 12,-0.1 -0.744 7.2-168.4 -89.6 127.3 -8.4 1.5 0.7 36 36 A I S S+ 0 0 7 -30,-1.9 8,-0.9 -2,-0.5 -29,-0.1 0.090 82.6 53.8 -99.6 22.4 -8.0 4.7 -1.3 37 37 A M + 0 0 18 6,-0.3 6,-0.2 -31,-0.2 -1,-0.2 -0.531 54.2 168.3-155.7 77.4 -11.4 4.2 -2.9 38 38 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.131 66.4 60.9 -80.3 22.1 -14.3 3.7 -0.5 39 39 A E B > S-E 42 0C 112 3,-0.6 3,-1.1 -28,-0.1 5,-0.0 -0.982 100.7 -94.7-147.7 157.7 -16.8 4.1 -3.3 40 40 A K T 3 S- 0 0 192 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 0.555 122.5 -7.3 -47.4 -8.9 -17.9 2.6 -6.6 41 41 A G T 3 S+ 0 0 48 1,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.148 110.7 99.5 176.2 46.7 -15.6 5.2 -8.2 42 42 A V B < -E 39 0C 73 -3,-1.1 -3,-0.6 2,-0.0 -1,-0.1 -0.922 54.6-140.2-150.1 120.7 -14.3 7.7 -5.6 43 43 A F - 0 0 125 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.3 -0.142 36.3 -95.1 -68.6 170.3 -10.9 7.8 -3.9 44 44 A D > - 0 0 38 -8,-0.9 4,-3.2 1,-0.2 5,-0.3 -0.801 27.3-163.6 -95.1 105.8 -10.6 8.8 -0.2 45 45 A D H > S+ 0 0 116 -2,-0.8 4,-1.7 1,-0.2 5,-0.2 0.784 89.1 57.7 -56.3 -29.2 -9.8 12.6 0.0 46 46 A E H > S+ 0 0 141 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.972 115.6 30.8 -67.5 -56.0 -8.7 12.0 3.6 47 47 A K H > S+ 0 0 74 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.913 116.9 58.5 -69.7 -43.2 -6.0 9.4 3.0 48 48 A I H X S+ 0 0 38 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.911 106.9 48.6 -52.0 -47.2 -5.2 10.8 -0.5 49 49 A A H X S+ 0 0 55 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.961 115.9 41.3 -58.7 -54.8 -4.3 14.2 1.1 50 50 A E H X S+ 0 0 106 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.814 109.3 63.6 -63.2 -30.6 -2.1 12.7 3.8 51 51 A L H X S+ 0 0 8 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.958 102.3 46.7 -59.2 -53.3 -0.7 10.3 1.2 52 52 A L H X S+ 0 0 55 -4,-2.1 4,-2.0 1,-0.2 6,-0.3 0.937 115.1 46.2 -54.3 -50.4 0.8 13.1 -0.8 53 53 A T H < S+ 0 0 109 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 111.9 53.1 -60.9 -36.6 2.3 14.7 2.3 54 54 A K H < S+ 0 0 82 -4,-2.6 21,-0.4 1,-0.2 -1,-0.2 0.881 105.3 54.3 -66.5 -39.1 3.5 11.3 3.4 55 55 A L H < S- 0 0 64 -4,-2.6 -2,-0.2 -5,-0.2 2,-0.2 0.956 123.4 -92.8 -59.6 -52.5 5.3 10.8 0.0 56 56 A G < - 0 0 39 -4,-2.0 -1,-0.1 -5,-0.2 0, 0.0 -0.648 54.9 -55.7 176.7-114.4 7.2 14.0 0.3 57 57 A R S S+ 0 0 223 -2,-0.2 -4,-0.1 2,-0.1 2,-0.1 0.008 103.6 71.9-150.5 30.5 6.6 17.5 -0.9 58 58 A D S S- 0 0 141 -6,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.138 84.0 -72.9-121.1-143.6 6.0 17.1 -4.7 59 59 A T - 0 0 107 -2,-0.1 2,-1.2 -4,-0.1 -1,-0.1 -0.727 48.8 -87.5-119.6 170.3 3.3 15.6 -6.9 60 60 A Q - 0 0 98 -2,-0.2 2,-1.6 1,-0.1 -8,-0.0 -0.662 38.2-160.3 -82.6 98.1 2.0 12.1 -7.7 61 61 A I S S- 0 0 158 -2,-1.2 3,-0.2 1,-0.3 -1,-0.1 -0.596 75.8 -43.6 -80.5 85.5 4.2 11.0 -10.6 62 62 A G S S- 0 0 62 -2,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.815 82.9-159.4 60.3 29.7 2.1 8.2 -12.0 63 63 A L - 0 0 38 1,-0.1 2,-0.2 4,-0.0 -1,-0.2 -0.163 12.0-167.4 -45.0 119.4 1.5 7.0 -8.4 64 64 A T - 0 0 99 -3,-0.2 -1,-0.1 2,-0.1 -3,-0.0 -0.625 15.9 -71.9-110.1 170.3 0.5 3.4 -8.7 65 65 A M S S+ 0 0 65 -2,-0.2 -59,-0.2 1,-0.1 -49,-0.2 -0.878 93.7 34.9-122.0 154.0 -1.1 0.9 -6.2 66 66 A P + 0 0 10 0, 0.0 2,-0.6 0, 0.0 -60,-0.3 0.520 65.9 179.6 -86.6 152.5 -0.5 -0.7 -3.9 67 67 A Q E -B 5 0A 22 -62,-2.8 -62,-2.9 11,-0.1 11,-0.2 -0.947 12.7-154.3-117.9 113.1 1.9 1.6 -2.1 68 68 A V E -BC 4 77A 4 9,-3.7 8,-1.1 -2,-0.6 9,-1.0 -0.397 4.9-157.1 -83.3 163.1 3.2 0.3 1.3 69 69 A F E -BC 3 75A 5 -66,-1.3 -66,-2.3 6,-0.3 6,-0.3 -0.999 30.7 -92.2-142.5 141.6 4.4 2.4 4.2 70 70 A A > - 0 0 10 4,-2.7 3,-0.9 -2,-0.3 -68,-0.1 -0.247 31.8-127.3 -53.2 132.4 6.7 1.7 7.1 71 71 A P T 3 S- 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -69,-0.1 0.734 107.2 -0.6 -53.5 -21.9 4.8 0.5 10.2 72 72 A D T 3 S+ 0 0 151 2,-0.1 -2,-0.1 0, 0.0 2,-0.1 -0.057 135.8 43.8-161.6 41.1 6.7 3.3 12.0 73 73 A G S < S- 0 0 55 -3,-0.9 2,-0.2 1,-0.1 3,-0.0 -0.086 92.5 -49.7-147.0-110.7 8.9 5.0 9.5 74 74 A S S S- 0 0 96 1,-0.1 -4,-2.7 -2,-0.1 -2,-0.1 -0.803 70.1 -51.4-137.8 178.6 8.4 6.1 5.9 75 75 A H E -C 69 0A 58 -21,-0.4 -6,-0.3 -6,-0.3 -1,-0.1 -0.275 42.6-178.0 -55.8 132.4 7.2 4.9 2.5 76 76 A I E - 0 0 23 -8,-1.1 2,-0.3 1,-0.3 -7,-0.2 0.803 36.1-122.9-101.0 -42.7 8.7 1.6 1.5 77 77 A G E -C 68 0A 0 -9,-1.0 -9,-3.7 5,-0.0 -1,-0.3 -0.957 35.4 -44.3 136.0-154.9 7.2 1.1 -2.0 78 78 A G S > S- 0 0 14 -2,-0.3 4,-0.8 -11,-0.2 -11,-0.1 0.278 77.9 -61.0 -92.1-141.4 5.2 -1.5 -3.8 79 79 A F H > S+ 0 0 37 2,-0.2 4,-2.6 3,-0.2 3,-0.2 0.993 132.2 28.4 -72.4 -70.6 5.4 -5.3 -3.9 80 80 A D H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.938 121.5 54.4 -56.9 -49.5 8.9 -5.9 -5.4 81 81 A Q H 4 S+ 0 0 133 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.865 113.5 43.6 -53.1 -37.6 10.2 -2.7 -4.0 82 82 A L H >X S+ 0 0 3 -4,-0.8 4,-1.6 1,-0.2 3,-1.3 0.843 99.2 69.3 -77.8 -34.5 9.0 -3.8 -0.6 83 83 A R H 3X S+ 0 0 109 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.849 97.4 55.7 -52.0 -31.4 10.3 -7.4 -1.1 84 84 A E H 3< S+ 0 0 158 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.843 102.2 55.1 -68.8 -32.4 13.7 -5.7 -0.8 85 85 A Y H <4 S+ 0 0 125 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.814 116.7 37.2 -68.4 -30.0 12.6 -4.2 2.5 86 86 A F H < 0 0 27 -4,-1.6 -2,-0.2 -3,-0.0 -1,-0.2 0.700 360.0 360.0 -92.3 -25.5 11.9 -7.8 3.6 87 87 A K < 0 0 227 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.910 360.0 360.0 63.0 360.0 14.9 -9.3 1.8