==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAY-08 3D4M . COMPND 2 MOLECULE: GLUTAREDOXIN-2, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.F.DISCOLA,M.A.DE OLIVEIRA,J.A.BARCENA,P.PORRAS, . 109 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.2 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 0.9 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 . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.7 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 0 0 2 1 1 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 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 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 0 239 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0-113.8 9.4 -37.0 35.5 2 2 A V - 0 0 33 62,-0.1 60,-0.0 63,-0.1 59,-0.0 -0.987 360.0-113.5-125.0 147.6 8.2 -35.3 32.3 3 3 A S > - 0 0 52 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.288 24.6-116.5 -68.6 157.8 9.5 -35.7 28.8 4 4 A Q H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.808 118.0 57.4 -60.2 -31.0 11.2 -32.9 26.9 5 5 A E H > S+ 0 0 140 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 105.8 47.8 -71.1 -37.3 8.4 -33.2 24.4 6 6 A T H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 112.5 49.8 -66.8 -44.9 5.8 -32.6 27.2 7 7 A V H X S+ 0 0 26 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.920 111.9 48.0 -57.4 -48.0 7.8 -29.6 28.4 8 8 A A H X S+ 0 0 44 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 112.4 49.0 -58.5 -46.4 8.0 -28.2 24.9 9 9 A H H X S+ 0 0 89 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 112.0 47.6 -62.0 -43.3 4.3 -28.7 24.4 10 10 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.921 111.7 50.8 -67.4 -42.0 3.5 -27.0 27.7 11 11 A K H X S+ 0 0 114 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.921 110.0 51.2 -54.9 -44.7 5.9 -24.1 26.8 12 12 A D H X S+ 0 0 105 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.894 109.0 49.6 -58.8 -42.2 4.0 -23.9 23.5 13 13 A L H >X S+ 0 0 25 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.932 109.6 53.5 -60.6 -46.2 0.7 -23.8 25.3 14 14 A I H 3< S+ 0 0 6 -4,-2.6 68,-0.4 1,-0.2 3,-0.4 0.853 111.4 43.6 -55.8 -42.1 2.2 -21.0 27.5 15 15 A G H 3< S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.418 91.0 85.4 -91.0 1.6 3.3 -18.8 24.5 16 16 A Q H << S+ 0 0 131 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 0.885 94.8 32.0 -68.1 -39.6 0.1 -19.2 22.4 17 17 A K S < S- 0 0 88 -4,-0.5 65,-0.4 -3,-0.4 31,-0.1 -0.799 82.4-114.5-122.2 160.9 -1.8 -16.4 24.1 18 18 A E S S+ 0 0 68 29,-0.3 63,-3.9 -2,-0.3 2,-0.4 0.824 107.2 35.2 -62.5 -32.7 -0.9 -13.1 25.7 19 19 A V E -aB 48 80A 0 28,-1.9 30,-2.7 61,-0.3 2,-0.5 -0.986 70.0-174.6-129.9 124.8 -2.1 -14.4 29.1 20 20 A F E -aB 49 79A 0 59,-3.5 59,-2.4 -2,-0.4 2,-0.4 -0.972 2.1-179.1-119.7 130.4 -1.7 -17.9 30.3 21 21 A V E -aB 50 78A 0 28,-2.8 30,-3.2 -2,-0.5 2,-0.7 -0.969 14.1-161.6-129.2 123.6 -3.1 -19.3 33.5 22 22 A A E +aB 51 77A 0 55,-2.9 55,-2.3 -2,-0.4 2,-0.2 -0.897 35.8 156.6 -93.6 122.1 -2.7 -22.8 34.6 23 23 A A E -a 52 0A 0 28,-3.1 30,-2.7 -2,-0.7 2,-0.3 -0.751 34.3-139.0-134.8 173.5 -5.4 -23.2 37.2 24 24 A K - 0 0 66 -2,-0.2 3,-0.5 28,-0.2 2,-0.1 -0.927 29.7-105.1-131.7 160.8 -7.5 -25.8 38.9 25 25 A T S S+ 0 0 39 -2,-0.3 5,-0.0 1,-0.2 29,-0.0 -0.440 105.6 30.2 -75.0 161.7 -11.2 -25.8 39.9 26 26 A Y S S+ 0 0 231 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.907 87.4 134.3 55.9 41.2 -12.0 -25.3 43.6 27 27 A a > - 0 0 22 -3,-0.5 4,-2.6 1,-0.2 3,-0.5 -0.921 44.5-160.6-126.6 98.7 -8.8 -23.2 43.9 28 28 A P H > S+ 0 0 101 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 93.0 42.9 -49.9 -45.6 -9.5 -20.0 45.8 29 29 A Y H > S+ 0 0 142 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.756 109.3 57.3 -80.6 -19.9 -6.4 -18.3 44.5 30 30 A a H > S+ 0 0 2 -3,-0.5 4,-3.2 2,-0.2 5,-0.2 0.930 109.8 46.1 -64.6 -46.4 -7.0 -19.5 40.9 31 31 A K H X S+ 0 0 170 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.934 113.5 49.7 -58.1 -46.9 -10.4 -17.8 41.1 32 32 A A H X S+ 0 0 32 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.935 113.0 46.0 -56.5 -49.9 -8.7 -14.7 42.6 33 33 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.940 114.1 47.6 -63.3 -46.5 -6.1 -14.7 39.8 34 34 A L H X>S+ 0 0 32 -4,-3.2 4,-3.1 1,-0.2 5,-0.5 0.907 113.7 48.0 -60.5 -41.5 -8.7 -15.2 37.1 35 35 A S H X>S+ 0 0 43 -4,-2.8 5,-2.8 -5,-0.2 4,-2.3 0.933 110.7 51.7 -65.0 -45.9 -10.9 -12.5 38.6 36 36 A T H <>S+ 0 0 5 -4,-3.0 5,-2.6 -5,-0.2 -2,-0.2 0.959 118.7 36.2 -54.1 -52.6 -8.0 -10.1 38.9 37 37 A L H <5S+ 0 0 0 -4,-2.4 6,-3.1 3,-0.2 -2,-0.2 0.936 131.5 25.6 -66.1 -50.7 -7.0 -10.6 35.2 38 38 A F H <5S+ 0 0 24 -4,-3.1 -3,-0.2 4,-0.3 -2,-0.2 0.802 133.0 27.1 -95.3 -27.9 -10.4 -10.9 33.6 39 39 A Q T < - 0 0 38 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.416 20.4-146.3 -61.5 127.1 -9.6 -9.9 27.0 45 45 A K G > S+ 0 0 151 1,-0.3 3,-2.1 2,-0.2 -26,-0.1 0.822 99.2 65.3 -63.4 -30.3 -10.4 -13.6 27.4 46 46 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.680 101.5 52.3 -64.6 -14.3 -9.8 -14.0 23.6 47 47 A K G < S+ 0 0 69 -3,-1.7 -28,-1.9 -30,-0.1 2,-0.3 0.178 104.1 74.4-105.5 17.4 -6.2 -13.1 24.6 48 48 A A E < -a 19 0A 15 -3,-2.1 2,-0.4 -30,-0.2 -28,-0.2 -0.925 57.8-157.5-131.9 151.9 -5.9 -15.7 27.3 49 49 A L E -a 20 0A 38 -30,-2.7 -28,-2.8 -2,-0.3 2,-0.5 -0.985 16.5-175.9-124.8 119.7 -5.5 -19.3 27.6 50 50 A V E -a 21 0A 48 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.969 6.6-162.3-118.2 123.1 -6.7 -20.7 30.9 51 51 A L E -a 22 0A 8 -30,-3.2 -28,-3.1 -2,-0.5 2,-0.8 -0.897 11.7-154.5-105.0 139.1 -6.2 -24.3 31.6 52 52 A E E > -a 23 0A 39 -2,-0.5 3,-1.8 -30,-0.2 -28,-0.2 -0.888 13.1-166.7-107.8 97.9 -8.0 -26.1 34.2 53 53 A L G > S+ 0 0 3 -30,-2.7 3,-1.1 -2,-0.8 6,-0.4 0.771 82.8 53.8 -60.0 -33.0 -5.6 -28.9 34.9 54 54 A D G 3 S+ 0 0 79 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.547 104.8 57.3 -82.1 -6.4 -7.9 -31.1 37.0 55 55 A E G < S+ 0 0 139 -3,-1.8 2,-0.4 4,-0.0 -1,-0.2 0.297 99.5 75.1 -96.2 6.3 -10.5 -31.0 34.1 56 56 A M S X S- 0 0 71 -3,-1.1 3,-1.3 -4,-0.1 4,-0.3 -0.957 74.9-141.0-125.0 138.2 -7.9 -32.4 31.7 57 57 A S T 3 S+ 0 0 134 -2,-0.4 3,-0.4 1,-0.3 4,-0.2 0.852 111.6 43.5 -65.4 -34.4 -6.7 -36.0 31.5 58 58 A N T 3> S+ 0 0 46 1,-0.2 4,-2.6 2,-0.1 3,-0.4 0.309 82.9 109.5 -89.0 7.0 -3.1 -34.7 31.0 59 59 A G H <> S+ 0 0 1 -3,-1.3 4,-2.6 -6,-0.4 -1,-0.2 0.866 75.9 52.9 -52.4 -41.2 -3.5 -32.0 33.7 60 60 A S H > S+ 0 0 84 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.896 110.7 44.3 -64.5 -41.3 -1.1 -33.8 36.0 61 61 A E H > S+ 0 0 79 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.905 111.5 54.8 -74.3 -34.1 1.7 -34.0 33.4 62 62 A I H X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.953 108.5 49.4 -58.5 -47.0 1.0 -30.4 32.4 63 63 A Q H X S+ 0 0 34 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 111.4 48.2 -59.7 -42.9 1.5 -29.5 36.1 64 64 A D H X S+ 0 0 68 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.898 111.8 49.8 -63.1 -40.8 4.7 -31.4 36.3 65 65 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.941 108.9 52.9 -64.9 -43.2 5.9 -29.8 33.1 66 66 A L H X>S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 5,-0.5 0.907 110.7 46.8 -57.2 -42.8 5.0 -26.4 34.6 67 67 A E H X5S+ 0 0 88 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.917 112.2 49.5 -65.1 -42.7 7.1 -27.3 37.6 68 68 A E H <5S+ 0 0 66 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.931 115.0 46.9 -58.9 -41.5 10.0 -28.5 35.4 69 69 A I H <5S+ 0 0 45 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.915 136.4 5.6 -68.1 -48.3 9.7 -25.2 33.5 70 70 A S H <5S- 0 0 43 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.563 88.9-119.3-112.7 -15.1 9.5 -22.7 36.4 71 71 A G S < S-BC 19 83A 3 3,-2.6 3,-2.0 -2,-0.4 -61,-0.3 -0.999 77.4 -1.9-132.1 132.7 2.0 -13.1 30.5 81 81 A N T 3 S- 0 0 93 -63,-3.9 -63,-0.1 -2,-0.4 -62,-0.1 0.873 131.7 -60.4 54.9 36.0 3.5 -12.6 27.1 82 82 A G T 3 S+ 0 0 32 -65,-0.4 2,-0.4 -68,-0.4 -1,-0.3 0.572 114.6 116.3 72.8 9.3 5.1 -16.0 27.4 83 83 A K E < S-C 80 0A 144 -3,-2.0 -3,-2.6 -69,-0.1 2,-0.2 -0.907 72.6-105.0-117.3 140.6 7.0 -15.0 30.6 84 84 A H E +C 79 0A 73 -2,-0.4 -5,-0.3 -5,-0.2 -7,-0.0 -0.391 36.8 169.6 -70.2 125.7 6.4 -16.4 34.0 85 85 A I E - 0 0 24 -7,-3.3 2,-0.4 1,-0.3 -6,-0.2 0.828 37.5-140.9 -96.7 -46.2 4.5 -14.2 36.4 86 86 A G E -C 78 0A 0 -8,-1.8 -8,-3.2 4,-0.1 -1,-0.3 -0.954 35.4 -29.9 125.6-139.9 4.0 -16.8 39.1 87 87 A G S > S- 0 0 9 -2,-0.4 4,-2.4 -10,-0.2 5,-0.2 -0.248 76.7 -74.2-105.6-166.2 1.1 -17.5 41.4 88 88 A N H > S+ 0 0 16 1,-0.2 4,-3.1 -12,-0.2 5,-0.2 0.870 128.8 55.6 -61.3 -36.4 -1.6 -15.4 42.8 89 89 A S H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 109.8 45.8 -65.5 -44.4 0.8 -13.8 45.3 90 90 A D H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 112.7 51.0 -59.0 -44.5 3.1 -12.6 42.6 91 91 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.933 111.1 48.1 -61.0 -47.3 0.2 -11.4 40.5 92 92 A E H X S+ 0 0 73 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.874 109.8 52.7 -59.9 -40.2 -1.1 -9.4 43.6 93 93 A T H X S+ 0 0 75 -4,-2.3 4,-3.2 2,-0.2 6,-0.3 0.927 113.7 43.0 -60.6 -47.2 2.4 -8.0 44.2 94 94 A L H X>S+ 0 0 33 -4,-2.5 6,-2.3 2,-0.2 4,-0.7 0.842 111.8 54.3 -66.6 -39.0 2.6 -6.8 40.5 95 95 A K H ><5S+ 0 0 51 -4,-2.8 3,-0.7 -5,-0.2 -2,-0.2 0.945 115.3 39.7 -58.3 -47.6 -1.0 -5.6 40.7 96 96 A K H 3<5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 111.6 56.6 -71.4 -44.7 -0.1 -3.5 43.8 97 97 A N H 3<5S- 0 0 116 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.607 107.9-125.2 -47.4 -24.0 3.3 -2.4 42.4 98 98 A G T < + 0 0 33 -5,-0.6 4,-2.4 -6,-0.3 -4,-0.2 0.744 63.0 62.7 -71.9 -23.1 3.8 -3.3 37.4 100 100 A L H > S+ 0 0 1 -6,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.882 99.9 51.8 -71.1 -39.1 1.0 -5.6 36.2 101 101 A A H > S+ 0 0 64 -3,-0.4 4,-1.1 -7,-0.4 -1,-0.2 0.894 112.1 47.6 -66.8 -38.5 -0.8 -2.8 34.3 102 102 A E H >< S+ 0 0 73 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.936 112.5 49.2 -60.0 -50.1 2.5 -2.0 32.5 103 103 A I H 3< S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.849 115.1 44.6 -58.1 -38.9 3.0 -5.8 31.9 104 104 A L H >X S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.2 4,-0.9 0.640 83.3 99.0 -82.1 -18.2 -0.5 -6.1 30.5 105 105 A K H XX S+ 0 0 55 -4,-1.1 3,-0.8 -3,-0.5 4,-0.8 0.797 82.2 51.9 -41.0 -46.5 -0.4 -2.8 28.4 106 106 A P H >4 S+ 0 0 63 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.838 98.6 64.5 -56.6 -38.9 0.4 -4.9 25.1 107 107 A V H <4 S+ 0 0 1 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.775 109.5 41.0 -59.7 -24.7 -2.6 -7.1 25.7 108 108 A F H << 0 0 108 -4,-0.9 -1,-0.3 -3,-0.8 -3,-0.1 0.655 360.0 360.0 -95.6 -17.4 -4.7 -4.0 25.3 109 109 A Q << 0 0 109 -4,-0.8 0, 0.0 -3,-0.5 0, 0.0 -0.134 360.0 360.0 -68.4 360.0 -2.7 -2.5 22.3