==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-OCT-91 1EGR . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.SODANO,T.-H.XIA,J.H.BUSHWELLER,O.BJORNBERG,A.HOLMGREN, . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 11.8 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 1.2 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 . 10 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 1 A M 0 0 60 0, 0.0 31,-2.6 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0-166.8 -5.8 -3.1 8.3 2 2 A Q E -a 32 0A 101 29,-0.2 63,-3.0 31,-0.0 2,-0.5 -0.842 360.0-174.1-106.8 102.8 -3.7 -0.1 7.6 3 3 A T E -aB 33 64A 0 29,-2.5 31,-2.5 -2,-0.8 2,-0.4 -0.820 8.1-162.8 -94.2 129.8 -1.8 -0.3 4.3 4 4 A V E -aB 34 63A 21 59,-2.8 59,-3.1 -2,-0.5 2,-0.5 -0.939 10.1-157.4-119.7 134.7 0.6 2.6 3.6 5 5 A I E -aB 35 62A 0 29,-3.0 31,-2.8 -2,-0.4 2,-0.7 -0.953 7.0-174.0-107.5 121.5 2.1 3.6 0.3 6 6 A F E +aB 36 61A 40 55,-2.9 55,-2.5 -2,-0.5 2,-0.2 -0.903 35.7 134.9-115.0 91.1 5.3 5.5 0.6 7 7 A G E -a 37 0A 2 29,-1.3 31,-1.3 -2,-0.7 2,-0.7 -0.609 61.1 -88.6-128.0-167.3 6.0 6.5 -3.0 8 8 A R > - 0 0 71 -2,-0.2 3,-1.9 29,-0.2 5,-0.3 -0.847 37.1-144.3-112.0 95.2 7.1 9.3 -5.3 9 9 A S T 3 S+ 0 0 45 -2,-0.7 31,-0.1 1,-0.2 30,-0.1 -0.254 86.2 50.0 -53.4 144.3 4.1 11.3 -6.6 10 10 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 -0.144 94.6 87.3 112.9 -36.0 4.6 12.4 -10.2 11 11 A C S <> S- 0 0 63 -3,-1.9 2,-2.4 1,-0.1 4,-0.5 -0.826 81.4-130.1 -97.8 133.7 5.6 8.9 -11.3 12 12 A P T 4 S+ 0 0 116 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 -0.243 90.5 89.4 -69.8 51.3 2.9 6.4 -12.4 13 13 A Y T >> S+ 0 0 142 -2,-2.4 3,-1.9 -5,-0.3 4,-0.7 0.745 81.6 42.3-111.9 -64.3 4.4 3.9 -10.0 14 14 A C H 3> S+ 0 0 2 -3,-0.5 4,-3.3 1,-0.3 5,-0.3 0.805 98.3 82.3 -55.0 -29.9 2.8 4.3 -6.6 15 15 A V H 3X S+ 0 0 73 -4,-0.5 4,-3.1 1,-0.2 -1,-0.3 0.887 89.5 50.9 -42.8 -44.1 -0.4 4.6 -8.6 16 16 A R H <> S+ 0 0 101 -3,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.962 112.2 43.7 -63.4 -52.0 -0.5 0.8 -8.7 17 17 A A H X S+ 0 0 1 -4,-0.7 4,-2.8 2,-0.2 5,-0.3 0.922 116.8 47.3 -59.6 -45.1 0.0 0.3 -4.9 18 18 A K H X S+ 0 0 47 -4,-3.3 4,-3.5 2,-0.2 5,-0.3 0.961 114.0 47.0 -61.3 -52.1 -2.5 3.0 -4.1 19 19 A D H X S+ 0 0 43 -4,-3.1 4,-3.5 -5,-0.3 5,-0.3 0.957 116.9 44.0 -53.6 -53.7 -5.0 1.6 -6.6 20 20 A L H X S+ 0 0 24 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.989 117.4 43.2 -55.5 -66.0 -4.6 -1.9 -5.3 21 21 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.895 117.8 48.8 -46.5 -46.5 -4.6 -0.9 -1.6 22 22 A E H X S+ 0 0 67 -4,-3.5 4,-0.8 -5,-0.3 -1,-0.2 0.943 110.6 48.1 -58.8 -54.2 -7.5 1.4 -2.3 23 23 A K H >X S+ 0 0 75 -4,-3.5 4,-3.0 -5,-0.3 3,-2.2 0.967 113.0 48.7 -54.5 -50.4 -9.5 -1.2 -4.2 24 24 A L H 3X S+ 0 0 8 -4,-3.2 4,-3.4 1,-0.3 7,-0.3 0.944 102.3 63.5 -53.4 -50.8 -8.9 -3.6 -1.4 25 25 A S H 3< S+ 0 0 39 -4,-3.2 -1,-0.3 -5,-0.3 6,-0.2 0.698 115.7 32.0 -43.8 -24.6 -10.0 -0.8 1.0 26 26 A N H << S+ 0 0 134 -3,-2.2 -1,-0.2 -4,-0.8 -2,-0.2 0.704 115.3 55.6-107.1 -31.3 -13.4 -1.2 -0.8 27 27 A E H < S+ 0 0 121 -4,-3.0 2,-0.5 1,-0.2 -2,-0.2 0.881 116.7 39.5 -70.5 -36.5 -13.4 -4.9 -1.7 28 28 A R S >< S- 0 0 73 -4,-3.4 3,-2.6 -5,-0.3 -1,-0.2 -0.940 74.8-149.0-119.0 117.3 -12.8 -5.7 2.0 29 29 A D T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.455 98.3 57.9 -63.9 3.7 -14.7 -3.6 4.6 30 30 A D T 3 S+ 0 0 68 -6,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.273 88.2 94.7-114.7 7.6 -11.7 -4.1 7.0 31 31 A F < + 0 0 4 -3,-2.6 2,-0.3 -7,-0.3 -29,-0.2 -0.869 44.1 169.9-109.4 129.7 -9.1 -2.6 4.7 32 32 A Q E -a 2 0A 121 -31,-2.6 -29,-2.5 -2,-0.5 2,-0.3 -0.958 12.9-160.2-129.6 150.9 -8.0 1.1 4.8 33 33 A Y E -a 3 0A 66 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.920 5.9-154.4-133.9 160.1 -5.0 2.6 3.0 34 34 A Q E -a 4 0A 95 -31,-2.5 -29,-3.0 -2,-0.3 2,-0.7 -0.999 6.6-152.0-134.1 135.4 -2.8 5.7 3.2 35 35 A Y E +a 5 0A 79 -2,-0.4 2,-0.4 -31,-0.2 -29,-0.2 -0.916 24.4 172.6-108.1 109.8 -0.9 7.6 0.5 36 36 A V E -a 6 0A 26 -31,-2.8 -29,-1.3 -2,-0.7 2,-0.3 -0.954 17.3-148.0-117.2 141.4 2.1 9.3 2.1 37 37 A D E -a 7 0A 2 -2,-0.4 5,-0.4 -31,-0.2 4,-0.4 -0.782 12.0-142.0-110.2 155.1 4.8 11.0 0.0 38 38 A I S >S+ 0 0 45 -31,-1.3 5,-3.2 -2,-0.3 4,-0.3 0.871 99.0 18.7 -84.2 -34.9 8.5 11.4 0.7 39 39 A R T 5S+ 0 0 172 3,-0.2 -31,-0.1 2,-0.2 -2,-0.1 0.890 117.8 59.9 -98.2 -58.0 9.0 14.9 -0.6 40 40 A A T 5S+ 0 0 61 1,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.821 126.0 22.5 -39.1 -39.9 5.5 16.4 -0.8 41 41 A E T 5S- 0 0 124 -4,-0.4 -1,-0.2 2,-0.0 -2,-0.2 0.810 115.9-107.4-101.5 -36.4 5.2 15.8 3.0 42 42 A G T 5 + 0 0 54 -5,-0.4 2,-0.3 -4,-0.3 -3,-0.2 0.808 50.8 160.5 110.2 69.8 8.9 15.7 4.0 43 43 A I < - 0 0 52 -5,-3.2 2,-0.4 4,-0.0 -1,-0.1 -0.841 33.9-124.7-115.0 157.2 10.2 12.2 5.0 44 44 A T > - 0 0 71 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.869 8.7-136.8-107.4 137.1 13.9 11.2 5.1 45 45 A K H > S+ 0 0 64 -2,-0.4 4,-3.5 1,-0.2 5,-0.2 0.859 108.6 59.6 -55.0 -31.4 15.3 8.3 3.1 46 46 A E H > S+ 0 0 116 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.994 106.5 42.0 -59.4 -64.9 17.2 7.6 6.4 47 47 A D H > S+ 0 0 69 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.897 120.6 44.4 -48.1 -49.5 14.1 7.2 8.6 48 48 A L H X S+ 0 0 17 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.976 109.7 53.9 -61.8 -54.5 12.4 5.2 5.9 49 49 A Q H X>S+ 0 0 66 -4,-3.5 5,-2.3 -5,-0.3 4,-2.1 0.905 112.6 48.0 -44.4 -46.1 15.5 3.1 5.2 50 50 A Q H <5S+ 0 0 132 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.976 116.4 39.5 -60.1 -58.9 15.4 2.4 8.9 51 51 A K H <5S+ 0 0 93 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.661 118.2 49.2 -69.6 -17.9 11.7 1.5 9.1 52 52 A A H <5S- 0 0 10 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.835 117.0-102.7 -90.7 -38.3 11.7 -0.4 5.8 53 53 A G T <5 - 0 0 36 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.758 69.3 -55.9 112.9 57.8 14.7 -2.6 6.3 54 54 A K < + 0 0 154 -5,-2.3 3,-0.1 1,-0.2 -4,-0.1 0.921 62.3 174.6 37.2 76.0 17.6 -1.1 4.3 55 55 A P > - 0 0 20 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 -0.137 28.5-152.4 -90.3 33.8 16.0 -0.9 0.8 56 56 A V T 3 - 0 0 100 1,-0.3 -7,-0.1 -7,-0.1 -2,-0.1 0.039 66.3 -18.6 32.1-102.2 19.1 0.9 -0.2 57 57 A E T 3 S+ 0 0 145 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.268 102.2 121.4-125.0 46.1 18.0 3.1 -3.2 58 58 A T < - 0 0 83 -3,-2.5 12,-0.0 13,-0.0 0, 0.0 -0.937 44.4-143.5-119.4 124.4 14.8 1.4 -4.3 59 59 A V + 0 0 94 -2,-0.5 2,-0.1 2,-0.0 -52,-0.1 -0.881 57.8 39.4-132.9 166.1 11.3 3.1 -4.5 60 60 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 12,-0.3 0.687 66.2-172.0 -79.6 170.7 8.4 3.1 -4.2 61 61 A Q E -B 6 0A 23 -55,-2.5 -55,-2.9 10,-0.1 2,-0.4 -0.947 12.1-148.4-128.5 150.6 7.8 1.0 -1.0 62 62 A I E -BC 5 70A 0 8,-2.5 7,-2.6 -2,-0.3 8,-1.1 -0.936 9.5-163.3-119.7 141.5 4.6 -0.3 0.7 63 63 A F E -BC 4 68A 21 -59,-3.1 -59,-2.8 -2,-0.4 2,-0.5 -0.875 9.9-152.8-120.7 153.9 4.0 -0.9 4.4 64 64 A V E > -BC 3 67A 13 3,-3.3 3,-2.5 -2,-0.3 2,-2.0 -0.917 61.9 -69.6-129.8 100.4 1.4 -3.0 6.2 65 65 A D T 3 S- 0 0 77 -63,-3.0 -62,-0.0 -2,-0.5 3,-0.0 -0.255 122.9 -10.1 54.9 -79.4 0.6 -1.6 9.7 66 66 A Q T 3 S+ 0 0 155 -2,-2.0 -1,-0.3 2,-0.0 2,-0.2 0.616 123.0 76.4-120.5 -24.8 4.0 -2.6 11.2 67 67 A Q E < -C 64 0A 113 -3,-2.5 -3,-3.3 -4,-0.0 2,-0.4 -0.575 69.3-133.9 -95.2 155.2 5.7 -4.8 8.6 68 68 A H E -C 63 0A 50 -5,-0.2 -5,-0.2 -2,-0.2 -16,-0.0 -0.855 16.7-174.3-102.4 140.0 7.4 -3.6 5.4 69 69 A I E - 0 0 33 -7,-2.6 2,-0.4 -2,-0.4 -6,-0.1 0.827 32.3-126.4-103.5 -42.3 6.5 -5.6 2.2 70 70 A G E -C 62 0A 14 -8,-1.1 -8,-2.5 4,-0.1 -1,-0.3 -0.998 54.4 -12.6 135.0-129.5 8.8 -4.1 -0.4 71 71 A G S > S- 0 0 17 -2,-0.4 4,-2.9 -10,-0.2 5,-0.2 -0.386 83.0 -78.6-103.4 178.6 7.8 -2.7 -3.8 72 72 A Y H > S+ 0 0 61 -12,-0.3 4,-3.3 1,-0.2 5,-0.2 0.837 130.4 57.7 -45.5 -36.0 4.5 -2.9 -5.8 73 73 A T H > S+ 0 0 101 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.996 108.9 41.4 -58.9 -62.1 5.6 -6.4 -6.8 74 74 A D H > S+ 0 0 75 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.880 115.9 53.6 -53.3 -40.0 5.9 -7.7 -3.2 75 75 A F H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 -1,-0.2 0.984 110.6 43.8 -60.8 -56.4 2.7 -5.8 -2.4 76 76 A A H X S+ 0 0 33 -4,-3.3 4,-3.1 2,-0.2 -2,-0.2 0.950 119.2 44.0 -54.0 -51.1 0.7 -7.4 -5.3 77 77 A A H X S+ 0 0 53 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.967 113.2 50.5 -59.1 -53.8 2.1 -10.8 -4.4 78 78 A W H < S+ 0 0 44 -4,-3.5 4,-0.3 -5,-0.3 5,-0.3 0.944 112.8 48.2 -48.1 -53.3 1.6 -10.3 -0.7 79 79 A V H >X S+ 0 0 15 -4,-3.3 4,-3.2 -5,-0.3 3,-2.6 0.968 108.7 53.2 -50.9 -61.2 -2.0 -9.3 -1.4 80 80 A K H 3< S+ 0 0 86 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.887 115.9 38.3 -44.1 -51.9 -2.6 -12.3 -3.6 81 81 A E T 3< S+ 0 0 130 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.282 126.3 37.6 -88.8 16.3 -1.5 -14.8 -1.0 82 82 A N T <4 S+ 0 0 91 -3,-2.6 -2,-0.2 -4,-0.3 -3,-0.2 0.635 118.2 39.7-128.3 -44.0 -3.0 -12.9 2.0 83 83 A L < + 0 0 27 -4,-3.2 2,-1.3 -5,-0.3 -2,-0.1 -0.142 69.3 126.3-103.1 36.5 -6.3 -11.4 0.9 84 84 A D 0 0 116 -5,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 -0.319 360.0 360.0 -89.2 54.1 -7.4 -14.4 -1.2 85 85 A A 0 0 95 -2,-1.3 -3,-0.0 0, 0.0 -57,-0.0 -0.811 360.0 360.0 150.8 360.0 -10.6 -14.3 0.9