==== 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 1DE1 . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR Y.WANG,G.AMEGBEY,D.S.WISHART . 87 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 64.4 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 . 9 10.3 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 . 1 1.1 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 . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 . 0 0 2 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 69 0, 0.0 30,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 148.8 -10.5 0.5 -5.3 2 2 A F E -a 31 0A 0 28,-2.0 30,-2.0 68,-0.1 2,-0.5 -0.577 360.0-148.6 -82.7 143.3 -7.7 0.3 -2.8 3 3 A K E -aB 32 69A 57 66,-2.5 66,-1.5 -2,-0.2 2,-0.5 -0.955 9.1-164.1-117.1 122.6 -4.2 1.2 -3.9 4 4 A V E -aB 33 68A 9 28,-1.6 30,-1.1 -2,-0.5 2,-0.7 -0.911 5.2-164.7-111.0 130.1 -1.2 -0.5 -2.4 5 5 A Y E +aB 34 67A 6 62,-2.9 62,-3.1 -2,-0.5 2,-0.2 -0.898 51.0 78.1-112.0 101.8 2.3 0.9 -2.7 6 6 A G E S-a 35 0A 0 28,-1.7 30,-2.1 -2,-0.7 31,-0.5 -0.663 76.0 -50.9-163.9-139.4 4.9 -1.7 -1.8 7 7 A Y - 0 0 25 -2,-0.2 6,-0.1 28,-0.2 27,-0.1 -0.843 23.7-167.1-123.2 159.5 6.7 -4.8 -3.1 8 8 A D - 0 0 59 -2,-0.3 6,-0.2 4,-0.2 -1,-0.1 0.799 49.9 -96.3-107.8 -65.8 5.6 -8.1 -4.7 9 9 A S S S+ 0 0 92 4,-0.2 4,-0.1 0, 0.0 5,-0.0 0.090 105.9 76.8 168.8 -32.5 8.5 -10.6 -4.7 10 10 A N S S+ 0 0 149 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.930 116.4 17.5 -65.5 -47.3 10.1 -10.3 -8.2 11 11 A I S S+ 0 0 48 1,-0.3 2,-0.3 28,-0.0 -1,-0.1 0.860 141.1 2.4 -91.3 -45.0 12.0 -7.1 -7.4 12 12 A H S S- 0 0 86 2,-0.0 -1,-0.3 25,-0.0 -4,-0.2 -0.971 74.9-110.3-143.2 156.0 11.8 -7.1 -3.6 13 13 A K + 0 0 162 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.2 -0.277 30.1 176.2 -81.0 171.2 10.4 -9.4 -0.9 14 14 A a + 0 0 34 -6,-0.2 4,-0.4 -8,-0.1 -2,-0.0 -0.632 19.5 177.5-179.4 115.4 7.4 -8.8 1.4 15 15 A V S > S+ 0 0 102 -2,-0.2 4,-1.1 2,-0.1 3,-0.2 0.810 91.1 46.9 -90.9 -36.7 5.7 -10.9 4.0 16 16 A Y H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.640 99.5 71.3 -80.2 -15.4 3.1 -8.4 5.1 17 17 A a H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 102.9 40.8 -66.2 -42.4 2.2 -7.6 1.5 18 18 A D H > S+ 0 0 106 -4,-0.4 4,-1.3 -3,-0.2 -2,-0.2 0.889 111.5 56.5 -72.2 -41.9 0.5 -11.0 1.1 19 19 A N H X S+ 0 0 72 -4,-1.1 4,-1.2 1,-0.2 3,-0.4 0.918 109.3 45.5 -56.9 -48.1 -1.1 -11.0 4.5 20 20 A A H >X S+ 0 0 22 -4,-1.9 4,-1.7 1,-0.2 3,-0.9 0.939 104.9 60.3 -62.9 -47.3 -2.9 -7.7 3.8 21 21 A K H 3X S+ 0 0 110 -4,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.821 105.4 51.6 -49.7 -31.7 -4.0 -8.7 0.4 22 22 A R H 3X S+ 0 0 184 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.3 0.845 100.8 61.8 -74.3 -34.6 -5.9 -11.5 2.1 23 23 A L H X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 3,-1.5 0.957 110.1 54.4 -59.3 -54.2 -9.3 -7.3 1.7 25 25 A T H 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.8 54.1 -49.2 -36.0 -10.3 -10.6 -0.1 26 26 A V H 3< S+ 0 0 111 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.801 113.1 41.8 -69.3 -29.7 -11.9 -11.5 3.3 27 27 A K H << S- 0 0 112 -3,-1.5 -2,-0.2 -4,-1.1 -1,-0.2 0.627 111.8-122.7 -91.0 -16.8 -13.9 -8.3 3.3 28 28 A K < + 0 0 179 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.990 55.2 150.8 71.7 65.1 -14.7 -8.5 -0.4 29 29 A Q - 0 0 80 -5,-0.5 2,-0.3 -27,-0.0 -1,-0.2 -0.980 48.1-113.6-130.8 142.3 -13.3 -5.2 -1.7 30 30 A P + 0 0 75 0, 0.0 -28,-2.0 0, 0.0 2,-0.3 -0.571 52.7 142.3 -75.7 128.6 -11.8 -4.2 -5.1 31 31 A F E -a 2 0A 42 -2,-0.3 2,-0.3 -30,-0.3 -28,-0.2 -0.979 31.4-152.0-158.9 167.7 -8.1 -3.4 -5.0 32 32 A E E -a 3 0A 114 -30,-2.0 -28,-1.6 -2,-0.3 2,-0.2 -0.998 17.1-124.7-150.0 147.0 -4.8 -3.7 -6.9 33 33 A F E -a 4 0A 75 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.1 -0.538 19.0-163.5 -89.5 156.4 -1.1 -3.9 -6.0 34 34 A I E -a 5 0A 37 -30,-1.1 -28,-1.7 -2,-0.2 2,-0.7 -0.946 18.3-133.0-145.9 120.0 1.6 -1.5 -7.4 35 35 A N E -a 6 0A 65 -2,-0.4 -28,-0.2 1,-0.2 9,-0.1 -0.610 13.9-168.6 -74.9 109.8 5.3 -2.1 -7.4 36 36 A I S S+ 0 0 1 -30,-2.1 8,-4.0 -2,-0.7 -1,-0.2 0.633 81.8 58.6 -72.8 -13.6 6.9 1.1 -6.1 37 37 A M + 0 0 20 -31,-0.5 -1,-0.2 6,-0.3 6,-0.2 -0.713 54.6 161.5-119.9 80.7 10.3 -0.3 -7.2 38 38 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.587 74.0 43.9 -72.4 -9.9 10.1 -1.0 -10.9 39 39 A E S S- 0 0 138 3,-0.5 3,-0.1 -3,-0.1 -28,-0.0 -1.000 79.0-132.0-139.5 136.7 13.9 -1.1 -10.9 40 40 A K S S+ 0 0 189 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.605 106.5 62.8 -60.9 -8.7 16.4 -2.6 -8.5 41 41 A G S S- 0 0 52 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.969 118.3 -20.1 -80.1 -62.1 18.1 0.7 -8.6 42 42 A V S S- 0 0 89 -3,-0.1 -3,-0.5 1,-0.0 -1,-0.3 -0.991 70.4 -93.2-150.4 154.9 15.5 3.1 -7.1 43 43 A F - 0 0 90 -2,-0.3 2,-1.1 -6,-0.2 -6,-0.3 -0.030 57.3 -82.8 -59.8 170.0 11.7 3.2 -6.5 44 44 A D > - 0 0 28 -8,-4.0 4,-3.1 1,-0.2 3,-0.3 -0.674 36.1-165.8 -82.3 100.4 9.4 4.8 -9.1 45 45 A D H > S+ 0 0 118 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 0.777 86.6 63.5 -55.3 -27.0 9.6 8.6 -8.3 46 46 A E H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.968 113.1 29.7 -63.1 -55.0 6.5 8.9 -10.5 47 47 A K H > S+ 0 0 65 -3,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.836 123.0 52.0 -73.8 -33.3 4.2 6.8 -8.3 48 48 A I H X S+ 0 0 37 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.816 107.0 54.8 -71.6 -31.7 6.2 7.9 -5.2 49 49 A A H X S+ 0 0 50 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.974 109.5 43.1 -66.3 -56.3 5.8 11.5 -6.1 50 50 A E H X S+ 0 0 99 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.825 110.7 61.0 -59.4 -30.0 2.0 11.5 -6.4 51 51 A L H >X S+ 0 0 6 -4,-1.3 4,-1.8 2,-0.2 3,-0.8 0.980 100.1 51.1 -59.7 -58.6 2.0 9.5 -3.2 52 52 A L H 3X S+ 0 0 59 -4,-2.1 4,-1.5 1,-0.3 6,-0.3 0.856 113.0 47.1 -45.9 -42.6 3.7 12.2 -1.2 53 53 A T H 3< S+ 0 0 105 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.811 105.0 62.1 -70.9 -31.1 1.1 14.6 -2.4 54 54 A K H << S+ 0 0 72 -4,-1.7 21,-0.3 -3,-0.8 -2,-0.2 0.927 104.2 46.3 -60.8 -48.3 -1.6 12.1 -1.6 55 55 A L H < S- 0 0 48 -4,-1.8 20,-0.2 19,-0.1 -2,-0.2 0.978 127.3 -78.9 -59.3 -59.6 -0.9 12.1 2.1 56 56 A G < - 0 0 30 -4,-1.5 -1,-0.1 2,-0.2 0, 0.0 -0.424 59.4 -62.0-166.3-114.2 -0.7 15.8 2.5 57 57 A R S S+ 0 0 240 -2,-0.1 2,-0.1 2,-0.1 -4,-0.1 0.049 99.6 74.8-150.6 28.1 2.0 18.4 1.7 58 58 A D S S- 0 0 113 -6,-0.3 2,-0.3 1,-0.1 -2,-0.2 -0.333 77.8 -90.6-121.7-156.6 4.9 17.4 3.9 59 59 A T - 0 0 112 -2,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.769 19.1-135.9-121.2 167.4 7.6 14.7 4.0 60 60 A Q > - 0 0 47 -2,-0.3 2,-1.6 3,-0.1 3,-1.0 -0.864 10.7-162.9-130.2 98.8 7.9 11.2 5.5 61 61 A I T 3 S+ 0 0 171 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.597 85.6 0.0 -82.1 85.6 11.1 10.4 7.2 62 62 A G T 3 S+ 0 0 65 -2,-1.6 -1,-0.3 1,-0.2 2,-0.1 0.660 80.7 178.7 110.1 23.8 11.0 6.6 7.4 63 63 A L < - 0 0 59 -3,-1.0 -1,-0.2 1,-0.1 2,-0.2 -0.381 19.0-144.0 -60.8 127.0 7.7 5.8 5.8 64 64 A T - 0 0 109 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.499 24.5 -77.9 -92.3 163.4 7.2 2.0 5.7 65 65 A M S S+ 0 0 78 -2,-0.2 -59,-0.2 1,-0.1 -49,-0.1 -0.794 90.4 42.7-118.5 160.8 5.6 -0.1 3.0 66 66 A P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 -60,-0.3 0.487 65.8-166.7 -83.9 149.8 3.2 -1.2 1.7 67 67 A Q E -B 5 0A 13 -62,-3.1 -62,-2.9 -2,-0.1 2,-0.2 -0.870 6.9-160.2-101.8 120.2 1.2 2.1 1.6 68 68 A V E -BC 4 77A 6 9,-1.2 8,-1.3 -2,-0.6 9,-0.8 -0.625 3.7-159.6 -98.7 159.6 -2.4 1.7 0.8 69 69 A F E -BC 3 75A 0 -66,-1.5 -66,-2.5 6,-0.2 6,-0.2 -0.996 22.0-113.0-142.9 133.2 -4.9 4.4 -0.4 70 70 A A E >> - C 0 74A 4 4,-2.9 3,-1.2 -2,-0.4 4,-0.6 -0.241 31.2-111.2 -62.9 149.6 -8.7 4.5 -0.3 71 71 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -69,-0.0 0.892 119.4 52.2 -44.8 -52.5 -10.7 4.3 -3.6 72 72 A D T 34 S- 0 0 169 1,-0.1 -70,-0.1 2,-0.0 -2,-0.0 0.801 132.2 -90.9 -58.0 -30.0 -11.8 7.9 -3.2 73 73 A G T <4 S+ 0 0 31 -3,-1.2 2,-0.3 1,-0.2 -1,-0.1 0.733 77.8 127.6 115.3 67.9 -8.2 8.9 -2.8 74 74 A S E < -C 70 0A 68 -4,-0.6 -4,-2.9 0, 0.0 2,-0.7 -0.979 60.5-100.5-147.8 157.1 -7.0 8.9 0.8 75 75 A H E +C 69 0A 62 -2,-0.3 -6,-0.2 -21,-0.3 -8,-0.0 -0.711 39.4 165.7 -84.1 115.1 -4.2 7.5 2.9 76 76 A I E - 0 0 14 -8,-1.3 2,-0.3 -2,-0.7 -1,-0.2 0.876 33.6-143.0 -93.6 -49.1 -5.4 4.4 4.9 77 77 A G E -C 68 0A 0 -9,-0.8 -9,-1.2 4,-0.1 -1,-0.2 -0.890 29.4 -44.7 123.1-154.2 -2.1 2.9 6.0 78 78 A G S > S- 0 0 27 -2,-0.3 4,-0.7 -11,-0.1 -11,-0.0 0.407 82.5 -57.1 -91.0-132.2 -0.9 -0.6 6.4 79 79 A F H > S+ 0 0 65 2,-0.2 4,-3.7 3,-0.2 5,-0.2 0.976 133.2 33.7 -79.7 -70.1 -2.6 -3.6 8.0 80 80 A D H > S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.926 122.7 49.7 -51.1 -49.1 -3.5 -2.5 11.6 81 81 A Q H > S+ 0 0 117 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.894 116.4 41.8 -57.4 -42.2 -4.0 1.1 10.3 82 82 A L H >X S+ 0 0 6 -4,-0.7 4,-1.8 1,-0.2 3,-0.9 0.835 100.3 70.1 -76.3 -32.3 -6.2 -0.3 7.5 83 83 A R H 3X S+ 0 0 167 -4,-3.7 4,-3.6 1,-0.3 -1,-0.2 0.864 97.4 54.9 -52.1 -33.8 -8.0 -2.8 9.8 84 84 A E H 3< S+ 0 0 139 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.873 102.0 55.7 -66.5 -35.9 -9.5 0.4 11.3 85 85 A Y H << S+ 0 0 110 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.856 119.5 33.5 -63.2 -34.1 -10.7 1.3 7.8 86 86 A F H < 0 0 26 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.956 360.0 360.0 -84.3 -66.4 -12.5 -2.1 7.7 87 87 A K < 0 0 217 -4,-3.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.392 360.0 360.0 60.2 360.0 -13.5 -2.7 11.4