==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 24-APR-92 1ABA . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.EKLUND,M.INGELMAN,B.-O.SODERBERG,T.UHLIN,P.NORDLUND, . 87 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5578.0 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 . 10 11.5 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 . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 28.7 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+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 1 0 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 . 1 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 0 121 0, 0.0 30,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 149.2 19.8 50.5 58.1 2 2 A F E -a 31 0A 5 28,-2.2 30,-2.2 70,-0.1 2,-0.5 -0.596 360.0-141.0 -73.4 150.9 17.0 48.0 57.7 3 3 A K E -aB 32 69A 63 66,-1.9 66,-2.3 -2,-0.2 2,-0.5 -0.982 15.7-168.5-118.5 127.2 14.2 49.4 55.5 4 4 A V E -aB 33 68A 0 28,-2.7 30,-3.1 -2,-0.5 2,-0.4 -0.957 4.1-163.3-120.5 113.8 10.6 48.7 56.5 5 5 A Y E +aB 34 67A 0 62,-3.0 62,-1.8 -2,-0.5 2,-0.3 -0.818 40.9 105.9 -91.4 133.7 7.7 49.4 54.1 6 6 A G E -a 35 0A 0 28,-2.6 30,-2.7 -2,-0.4 31,-0.4 -0.914 63.7 -63.8-173.9-157.3 4.3 49.5 55.8 7 7 A Y - 0 0 41 -2,-0.3 2,-0.6 28,-0.2 7,-0.1 -0.901 37.6-119.9-114.9 147.0 1.4 51.5 57.1 8 8 A D >> - 0 0 54 -2,-0.4 4,-2.8 29,-0.3 3,-1.9 -0.736 27.0-141.6 -78.5 124.4 1.4 54.0 59.9 9 9 A S T 34 S+ 0 0 30 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.695 97.6 66.4 -69.9 -16.9 -1.2 52.4 62.3 10 10 A N T 34 S+ 0 0 152 2,-0.2 -1,-0.3 1,-0.1 3,-0.2 0.778 115.5 29.3 -65.8 -28.7 -2.7 55.7 63.2 11 11 A I T <4 S+ 0 0 56 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.829 143.4 6.2 -98.2 -45.4 -3.9 56.0 59.6 12 12 A H S < S- 0 0 81 -4,-2.8 -1,-0.3 25,-0.1 -2,-0.2 -0.932 86.9-115.9-142.9 114.5 -4.3 52.2 58.7 13 13 A K + 0 0 185 -2,-0.4 2,-0.2 -3,-0.2 -4,-0.1 -0.227 38.9 168.2 -56.0 129.1 -3.9 49.7 61.5 14 14 A a > + 0 0 11 1,-0.1 4,-2.1 -7,-0.1 3,-0.2 -0.664 12.0 177.0-145.8 86.1 -1.0 47.3 60.9 15 15 A G H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.942 85.5 51.6 -55.7 -49.1 -0.1 45.2 63.9 16 16 A P H > S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.851 108.5 53.8 -54.6 -38.6 2.7 43.2 62.0 17 17 A a H > S+ 0 0 0 -3,-0.2 4,-1.8 48,-0.2 -2,-0.2 0.942 110.9 44.4 -62.6 -48.0 4.2 46.6 60.9 18 18 A D H X S+ 0 0 32 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.900 111.6 53.8 -65.0 -38.9 4.4 47.9 64.5 19 19 A N H X S+ 0 0 81 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 105.5 53.5 -61.8 -39.4 5.8 44.5 65.7 20 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.934 109.4 48.7 -60.6 -47.4 8.6 44.7 63.1 21 21 A K H X S+ 0 0 49 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.954 112.8 47.0 -59.8 -46.8 9.6 48.2 64.3 22 22 A R H X S+ 0 0 156 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.867 109.4 53.2 -66.5 -34.9 9.7 47.1 67.9 23 23 A L H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.932 109.7 48.9 -64.6 -42.7 11.7 43.9 67.2 24 24 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 -2,-0.2 0.913 111.3 50.6 -64.5 -39.3 14.4 46.0 65.4 25 25 A T H ><5S+ 0 0 87 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.951 110.0 48.8 -62.2 -46.2 14.5 48.4 68.4 26 26 A V H 3<5S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.886 112.1 49.7 -64.1 -31.9 14.9 45.5 70.9 27 27 A K T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.353 115.0-119.9 -81.9 4.1 17.7 44.1 68.7 28 28 A K T < 5 + 0 0 180 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.894 62.1 148.6 55.7 44.3 19.4 47.6 68.6 29 29 A Q < - 0 0 72 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.934 45.7-131.0-110.9 119.7 19.1 47.8 64.8 30 30 A P + 0 0 82 0, 0.0 -28,-2.2 0, 0.0 2,-0.3 -0.435 34.7 177.0 -64.1 140.6 18.6 51.2 63.1 31 31 A F E -a 2 0A 58 -30,-0.3 2,-0.4 -2,-0.1 -28,-0.2 -0.971 28.9-140.6-143.2 161.1 15.8 51.2 60.6 32 32 A E E -a 3 0A 81 -30,-2.2 -28,-2.7 -2,-0.3 2,-0.5 -0.974 20.2-148.9-116.4 132.2 13.9 53.6 58.2 33 33 A F E -a 4 0A 53 -2,-0.4 2,-0.6 -30,-0.2 -28,-0.2 -0.886 5.9-161.0-105.2 132.8 10.1 53.2 58.0 34 34 A I E -a 5 0A 17 -30,-3.1 -28,-2.6 -2,-0.5 2,-0.5 -0.949 9.4-150.2-115.5 114.4 8.5 54.0 54.6 35 35 A N E -a 6 0A 41 -2,-0.6 -28,-0.2 -30,-0.2 12,-0.1 -0.745 9.4-169.2 -87.0 122.7 4.7 54.7 55.0 36 36 A I S S+ 0 0 6 -30,-2.7 8,-2.7 -2,-0.5 -29,-0.1 0.534 78.5 54.2 -91.6 -4.9 2.8 53.7 51.8 37 37 A M + 0 0 8 -31,-0.4 -29,-0.3 6,-0.2 -1,-0.2 -0.805 61.2 179.0-127.3 86.3 -0.5 55.3 52.8 38 38 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.742 72.9 8.6 -64.3 -25.2 0.1 59.0 53.8 39 39 A E B > S-D 42 0B 126 3,-1.0 3,-2.7 -28,-0.0 -28,-0.1 -0.977 105.8 -60.1-152.5 164.2 -3.6 59.6 54.5 40 40 A K T 3 S- 0 0 182 -2,-0.3 -28,-0.1 1,-0.3 3,-0.1 -0.127 119.6 -5.9 -51.1 119.6 -6.8 57.6 54.8 41 41 A G T 3 S+ 0 0 67 1,-0.1 2,-0.5 -30,-0.1 -1,-0.3 0.514 107.4 111.6 72.8 8.7 -7.5 55.7 51.6 42 42 A V B < -D 39 0B 64 -3,-2.7 -3,-1.0 2,-0.0 2,-0.2 -0.953 50.6-159.3-118.8 115.0 -4.7 57.4 49.6 43 43 A F - 0 0 86 -2,-0.5 2,-1.1 -6,-0.2 -6,-0.2 -0.614 21.4-125.6 -87.1 148.7 -1.7 55.3 48.5 44 44 A D > - 0 0 46 -8,-2.7 4,-1.9 -2,-0.2 3,-0.3 -0.792 25.2-170.5 -93.5 99.8 1.6 56.7 47.6 45 45 A D H > S+ 0 0 120 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.795 80.8 58.9 -67.7 -26.1 2.1 55.2 44.2 46 46 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 108.9 45.8 -66.8 -41.9 5.7 56.3 43.8 47 47 A K H > S+ 0 0 46 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.871 111.5 51.0 -71.0 -35.6 6.6 54.2 46.9 48 48 A I H X S+ 0 0 22 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.949 110.8 49.6 -66.6 -42.4 4.6 51.2 45.8 49 49 A A H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 110.9 50.1 -59.2 -41.2 6.4 51.3 42.4 50 50 A E H X S+ 0 0 59 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.931 110.0 50.4 -63.4 -42.0 9.8 51.5 44.3 51 51 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 109.4 49.9 -62.2 -45.7 8.8 48.5 46.4 52 52 A L H X>S+ 0 0 35 -4,-2.7 5,-2.3 1,-0.2 4,-1.4 0.897 109.9 52.1 -61.4 -36.6 7.9 46.5 43.3 53 53 A T H <5S+ 0 0 115 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.935 110.5 47.4 -62.7 -47.1 11.2 47.4 41.7 54 54 A K H <5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.1 45.6 -63.2 -37.7 13.1 46.2 44.8 55 55 A L H <5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.729 105.2-128.4 -76.8 -19.9 11.1 43.0 45.0 56 56 A G T <5 + 0 0 68 -4,-1.4 2,-0.3 -3,-0.4 -3,-0.2 0.801 58.8 148.2 71.8 33.7 11.5 42.3 41.2 57 57 A R < - 0 0 89 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.791 43.0-170.6-107.5 146.5 7.7 41.8 41.0 58 58 A D S S+ 0 0 164 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.452 77.2 39.9-101.3 -11.9 5.3 42.6 38.1 59 59 A T - 0 0 75 2,-0.1 0, 0.0 -7,-0.1 0, 0.0 -0.897 67.7-137.9-131.2 167.5 2.0 42.0 40.1 60 60 A Q > + 0 0 114 -2,-0.3 3,-2.3 -3,-0.0 -1,-0.0 0.346 52.2 143.5-105.7 5.6 0.9 42.8 43.6 61 61 A I T 3 S- 0 0 134 1,-0.3 -2,-0.1 3,-0.0 3,-0.1 -0.193 75.8 -2.6 -56.9 122.9 -0.8 39.5 44.2 62 62 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.455 90.2 145.8 77.5 0.3 -0.4 38.3 47.8 63 63 A L < + 0 0 39 -3,-2.3 2,-0.3 4,-0.0 -1,-0.2 -0.592 22.4 178.5 -72.2 124.8 1.7 41.2 48.9 64 64 A T - 0 0 96 -2,-0.4 -3,-0.0 2,-0.2 0, 0.0 -0.792 27.6 -76.6-121.0 160.3 1.1 42.2 52.5 65 65 A M S S+ 0 0 23 -2,-0.3 -48,-0.2 2,-0.0 -59,-0.1 -0.874 94.8 51.3 -98.3 144.9 2.7 44.8 54.7 66 66 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -60,-0.2 0.456 58.9-179.1 -82.3 167.6 5.2 45.0 56.2 67 67 A Q E -B 5 0A 18 -62,-1.8 -62,-3.0 -2,-0.1 2,-0.4 -1.000 14.4-162.0-126.9 123.3 8.0 44.2 53.7 68 68 A V E -BC 4 77A 0 9,-2.7 8,-3.0 -2,-0.4 9,-1.5 -0.898 10.3-164.4-114.8 140.2 11.5 44.4 55.2 69 69 A F E -BC 3 75A 7 -66,-2.3 -66,-1.9 -2,-0.4 6,-0.2 -0.943 22.4-122.9-122.5 138.8 14.9 44.7 53.6 70 70 A A > - 0 0 2 4,-2.9 3,-2.3 -2,-0.4 -67,-0.0 -0.289 36.0 -95.7 -72.4 165.6 18.2 44.0 55.4 71 71 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -69,-0.0 0.769 126.4 54.3 -54.8 -32.9 21.1 46.6 55.7 72 72 A D T 3 S- 0 0 131 2,-0.1 -70,-0.1 1,-0.0 -2,-0.0 0.335 123.5-105.4 -82.3 3.6 22.8 45.1 52.6 73 73 A G S < S+ 0 0 51 -3,-2.3 2,-0.1 1,-0.3 -71,-0.0 0.336 73.4 139.1 92.9 -7.0 19.6 45.6 50.5 74 74 A S - 0 0 52 1,-0.1 -4,-2.9 -5,-0.1 2,-0.4 -0.414 58.5-107.5 -72.6 151.8 18.4 41.9 50.4 75 75 A H E +C 69 0A 87 -6,-0.2 -6,-0.3 1,-0.2 -1,-0.1 -0.622 34.5 176.4 -77.3 128.4 14.7 41.2 50.8 76 76 A I E - 0 0 22 -8,-3.0 2,-0.3 -2,-0.4 -7,-0.2 0.858 33.7-137.6 -95.5 -50.5 13.8 39.5 54.1 77 77 A G E -C 68 0A 5 -9,-1.5 -9,-2.7 4,-0.1 -1,-0.3 -0.969 43.3 -22.0 129.9-143.9 10.0 39.4 53.8 78 78 A G S > S- 0 0 9 -2,-0.3 4,-2.0 -11,-0.2 5,-0.2 -0.089 80.6 -75.8 -89.6-164.8 7.3 40.2 56.4 79 79 A F H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 129.8 57.4 -63.3 -39.5 7.4 40.2 60.2 80 80 A D H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 109.4 45.6 -58.5 -42.2 7.3 36.4 60.3 81 81 A Q H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.7 53.2 -68.8 -31.1 10.5 36.3 58.2 82 82 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.896 105.0 54.4 -71.0 -40.1 12.1 39.0 60.3 83 83 A R H >< S+ 0 0 114 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.945 112.6 44.9 -54.4 -46.2 11.4 37.0 63.5 84 84 A E H >< S+ 0 0 102 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.839 102.3 67.5 -67.4 -33.6 13.3 34.1 61.8 85 85 A Y H 3< S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.774 97.2 51.6 -59.3 -33.7 16.1 36.3 60.6 86 86 A F T << 0 0 52 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.491 360.0 360.0 -86.3 -1.5 17.4 37.0 64.0 87 87 A K < 0 0 201 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.501 360.0 360.0 -84.9 360.0 17.6 33.3 65.1