==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-13 4MZC . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.YOGAVEL,A.SHARMA . 105 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 1 0 3 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 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 6 A E > 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.5 19.3 -29.1 -3.7 2 7 A A H > + 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.892 360.0 50.4 -61.2 -41.9 18.3 -28.3 -7.3 3 8 A V H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 111.2 47.4 -63.8 -47.8 17.9 -24.6 -6.5 4 9 A K H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 112.0 50.8 -59.5 -43.8 21.2 -24.3 -4.8 5 10 A K H X S+ 0 0 144 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.896 110.8 49.0 -60.3 -40.2 22.9 -26.0 -7.6 6 11 A W H X S+ 0 0 89 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.909 113.2 45.7 -67.9 -43.6 21.3 -23.7 -10.2 7 12 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.930 111.7 53.4 -63.6 -44.6 22.3 -20.6 -8.3 8 13 A N H X S+ 0 0 49 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.903 104.8 54.0 -58.6 -42.1 25.8 -21.9 -7.8 9 14 A K H X S+ 0 0 119 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.857 107.7 50.7 -65.2 -32.9 26.2 -22.5 -11.5 10 15 A I H X S+ 0 0 13 -4,-1.4 4,-1.1 -3,-0.3 -1,-0.2 0.933 112.8 45.4 -65.7 -44.9 25.3 -18.9 -12.3 11 16 A I H < S+ 0 0 12 -4,-2.1 66,-0.4 1,-0.2 -2,-0.2 0.870 119.0 43.7 -67.9 -30.6 27.8 -17.6 -9.7 12 17 A E H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.842 111.6 48.7 -84.4 -37.4 30.5 -20.0 -11.0 13 18 A E H < S+ 0 0 150 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 0.762 111.5 55.1 -73.4 -22.0 30.1 -19.7 -14.8 14 19 A N < - 0 0 31 -4,-1.1 63,-0.3 -5,-0.2 62,-0.2 -0.934 64.6-153.9-125.9 121.9 30.1 -16.0 -14.7 15 20 A I S S+ 0 0 46 -2,-0.5 61,-3.2 1,-0.2 2,-0.6 0.929 97.6 39.6 -57.7 -45.5 32.8 -13.7 -13.2 16 21 A I E S+aB 43 75A 0 26,-2.8 28,-2.0 59,-0.2 2,-0.5 -0.932 78.2 179.5-106.0 113.3 30.1 -11.0 -12.6 17 22 A A E -aB 44 74A 0 57,-2.5 57,-2.6 -2,-0.6 2,-0.5 -0.975 4.1-176.9-120.8 124.5 26.8 -12.5 -11.5 18 23 A V E -aB 45 73A 0 26,-2.7 28,-2.7 -2,-0.5 2,-0.5 -0.984 13.0-157.6-123.9 123.9 23.8 -10.3 -10.7 19 24 A F E +aB 46 72A 0 53,-2.8 53,-1.8 -2,-0.5 2,-0.2 -0.889 31.2 161.3 -98.3 127.7 20.5 -11.6 -9.4 20 25 A A E -a 47 0A 6 26,-3.0 28,-2.5 -2,-0.5 29,-0.6 -0.714 27.9-138.9-136.5 177.6 17.7 -9.1 -10.2 21 26 A K > - 0 0 92 26,-0.2 3,-0.6 -2,-0.2 6,-0.1 -0.895 40.9 -70.4-141.3 175.2 14.0 -8.7 -10.6 22 27 A T T 3 S- 0 0 64 -2,-0.3 5,-0.0 1,-0.2 26,-0.0 -0.354 109.4 -1.3 -69.4 139.5 11.6 -7.0 -12.9 23 28 A E T 3 S+ 0 0 179 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.908 84.9 154.9 52.0 58.2 11.4 -3.2 -12.9 24 29 A a <> - 0 0 11 -3,-0.6 4,-2.4 1,-0.2 3,-0.4 -0.932 32.3-161.2-127.1 99.5 13.9 -2.8 -10.1 25 30 A P H > S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.873 92.5 48.3 -55.0 -42.8 15.7 0.6 -10.1 26 31 A Y H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.827 110.4 52.2 -72.4 -29.0 18.6 -0.4 -8.0 27 32 A a H > S+ 0 0 3 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.941 111.7 46.8 -62.2 -49.3 19.1 -3.6 -10.1 28 33 A I H X S+ 0 0 98 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 112.9 49.1 -61.1 -43.8 19.2 -1.4 -13.2 29 34 A K H X S+ 0 0 104 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.931 112.2 47.8 -61.3 -47.3 21.6 1.1 -11.6 30 35 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.924 112.4 48.7 -61.5 -45.0 23.9 -1.7 -10.4 31 36 A I H X S+ 0 0 23 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.908 111.5 50.3 -62.5 -40.5 23.9 -3.4 -13.8 32 37 A S H X S+ 0 0 73 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.894 108.1 51.8 -68.2 -37.3 24.6 -0.1 -15.6 33 38 A I H X S+ 0 0 32 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.938 112.7 46.6 -59.7 -46.7 27.5 0.7 -13.3 34 39 A L H ><>S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 5,-1.1 0.925 110.6 50.8 -64.6 -43.0 29.0 -2.7 -14.0 35 40 A K H ><5S+ 0 0 95 -4,-2.8 3,-2.2 1,-0.3 5,-0.3 0.818 99.3 68.0 -63.8 -26.8 28.5 -2.3 -17.8 36 41 A G H 3<5S+ 0 0 57 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.727 94.8 55.8 -63.6 -22.7 30.2 1.1 -17.5 37 42 A Y T <<5S- 0 0 58 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.236 121.8-111.9 -88.8 11.6 33.4 -0.9 -16.7 38 43 A N T < 5S+ 0 0 136 -3,-2.2 3,-0.4 1,-0.1 -3,-0.2 0.860 74.1 140.3 60.9 39.4 32.9 -2.7 -20.0 39 44 A L > < + 0 0 0 -5,-1.1 3,-2.4 1,-0.2 4,-0.2 0.392 25.9 111.8 -91.9 1.1 32.2 -5.9 -18.1 40 45 A N G > S+ 0 0 83 -5,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.819 70.9 58.6 -46.5 -44.5 29.4 -7.1 -20.4 41 46 A S G 3 S+ 0 0 102 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.703 114.3 37.6 -63.2 -19.6 31.4 -10.1 -21.7 42 47 A H G < S+ 0 0 83 -3,-2.4 -26,-2.8 -28,-0.1 2,-0.3 0.086 99.7 101.0-118.3 17.6 31.8 -11.5 -18.2 43 48 A M E < -a 16 0A 27 -3,-1.7 2,-0.4 -4,-0.2 -26,-0.2 -0.838 43.1-174.5-106.1 145.7 28.3 -10.6 -16.8 44 49 A H E -a 17 0A 54 -28,-2.0 -26,-2.7 -2,-0.3 2,-0.5 -0.967 6.4-165.9-133.9 121.2 25.2 -12.7 -16.2 45 50 A V E -a 18 0A 60 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.938 6.7-166.8-106.3 123.4 22.0 -11.1 -15.0 46 51 A E E -a 19 0A 47 -28,-2.7 -26,-3.0 -2,-0.5 2,-1.0 -0.956 15.0-145.7-112.3 122.3 19.4 -13.5 -13.8 47 52 A N E -a 20 0A 71 -2,-0.5 -26,-0.2 -28,-0.2 -28,-0.1 -0.751 18.9-179.0 -86.2 100.1 15.8 -12.2 -13.2 48 53 A I 0 0 0 -28,-2.5 -27,-0.2 -2,-1.0 -1,-0.2 0.588 360.0 360.0 -80.9 -12.2 14.8 -14.3 -10.3 49 54 A E 0 0 101 -29,-0.6 -1,-0.2 -3,-0.1 5,-0.2 0.859 360.0 360.0 -70.8 360.0 11.3 -12.9 -10.1 50 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 51 56 A N > 0 0 63 0, 0.0 3,-1.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 136.4 11.1 -18.0 -11.8 52 57 A P T 3 + 0 0 123 0, 0.0 3,-0.2 0, 0.0 -4,-0.0 0.716 360.0 51.8 -69.2 -16.1 8.8 -20.4 -10.0 53 58 A D T 3> + 0 0 68 1,-0.2 4,-2.4 2,-0.1 3,-0.4 -0.016 66.4 131.8-111.5 29.8 11.4 -20.7 -7.2 54 59 A M H <> S+ 0 0 42 -3,-1.3 4,-2.9 1,-0.2 5,-0.2 0.882 74.4 48.9 -47.7 -51.2 11.9 -17.0 -6.5 55 60 A A H > S+ 0 0 69 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 111.2 49.6 -62.8 -39.8 11.6 -17.5 -2.7 56 61 A N H > S+ 0 0 87 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.891 112.5 48.1 -64.2 -41.1 14.0 -20.4 -2.6 57 62 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 112.3 48.7 -63.2 -47.1 16.5 -18.4 -4.6 58 63 A Q H X S+ 0 0 48 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.898 110.5 51.2 -60.2 -42.1 16.1 -15.4 -2.3 59 64 A A H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.918 111.7 47.0 -62.7 -42.0 16.5 -17.6 0.8 60 65 A Y H X S+ 0 0 25 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 109.1 53.8 -66.2 -42.0 19.7 -19.1 -0.6 61 66 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 6,-0.5 0.879 108.6 51.0 -59.2 -34.8 21.0 -15.7 -1.6 62 67 A K H X S+ 0 0 113 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.899 107.3 52.3 -69.4 -39.0 20.4 -14.6 2.0 63 68 A E H < S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 117.2 40.2 -59.4 -37.7 22.3 -17.7 3.3 64 69 A L H < S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.779 135.0 14.0 -79.6 -30.6 25.2 -16.7 1.0 65 70 A T H < S- 0 0 31 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.534 96.3-108.7-128.9 -15.1 25.2 -12.9 1.5 66 71 A G S < S+ 0 0 51 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.239 91.6 75.3 95.6 -12.0 23.1 -11.9 4.5 67 72 A K - 0 0 112 -6,-0.5 -2,-0.2 2,-0.1 -1,-0.1 -0.985 56.6-158.8-134.6 147.7 20.2 -10.4 2.5 68 73 A S + 0 0 47 -2,-0.3 -6,-0.1 -6,-0.1 -7,-0.1 0.426 64.5 103.2 -96.7 -5.8 17.3 -11.8 0.5 69 74 A S - 0 0 57 2,-0.1 -2,-0.1 -8,-0.1 0, 0.0 -0.388 69.5 -88.1 -79.2 157.3 16.8 -8.6 -1.6 70 75 A V S S+ 0 0 20 -2,-0.1 -43,-0.2 2,-0.1 -50,-0.2 -0.840 94.8 56.6-108.0 151.1 17.8 -7.9 -5.1 71 76 A P + 0 0 6 0, 0.0 2,-0.4 0, 0.0 12,-0.2 0.457 65.1 175.7 -74.6 155.0 20.1 -6.9 -6.6 72 77 A R E -B 19 0A 6 -53,-1.8 -53,-2.8 -2,-0.1 2,-0.4 -1.000 12.5-162.8-128.9 123.0 22.6 -9.4 -5.2 73 78 A I E -BC 18 81A 0 8,-2.5 7,-2.5 -2,-0.4 8,-1.8 -0.949 13.2-177.7-122.5 130.4 26.0 -9.1 -6.8 74 79 A F E -BC 17 79A 4 -57,-2.6 -57,-2.5 -2,-0.4 2,-0.5 -0.960 9.3-162.9-122.9 141.4 28.9 -11.5 -6.9 75 80 A I E > S-BC 16 78A 4 3,-2.2 3,-1.8 -2,-0.4 -59,-0.2 -0.982 82.4 -22.6-128.9 113.4 32.4 -10.9 -8.4 76 81 A N T 3 S- 0 0 85 -61,-3.2 -61,-0.1 -2,-0.5 -1,-0.1 0.887 127.1 -53.3 44.6 50.7 34.3 -14.2 -9.0 77 82 A K T 3 S+ 0 0 130 -62,-0.4 -1,-0.3 -66,-0.4 2,-0.2 0.227 113.0 120.6 76.9 -8.5 32.3 -15.8 -6.3 78 83 A D E < -C 75 0A 85 -3,-1.8 -3,-2.2 1,-0.1 2,-0.6 -0.581 68.8-112.3 -82.9 146.7 33.0 -13.1 -3.7 79 84 A V E +C 74 0A 50 -5,-0.2 -5,-0.2 -2,-0.2 -1,-0.1 -0.707 38.1 167.4 -83.6 119.7 30.0 -11.3 -2.3 80 85 A V E - 0 0 10 -7,-2.5 2,-0.5 -2,-0.6 -1,-0.2 0.856 36.6-151.4 -85.4 -50.8 29.8 -7.6 -3.2 81 86 A G E -C 73 0A 2 -8,-1.8 -8,-2.5 4,-0.1 -1,-0.3 -0.970 37.9 -17.1 121.7-130.0 26.2 -7.3 -1.9 82 87 A G S > S- 0 0 9 -2,-0.5 4,-2.1 -10,-0.2 5,-0.1 -0.298 77.1 -81.5-103.0-170.9 23.6 -4.9 -3.2 83 88 A C H > S+ 0 0 5 -12,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 128.1 53.3 -61.3 -40.0 23.7 -1.8 -5.3 84 89 A D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 108.3 50.2 -65.0 -39.4 24.6 0.4 -2.3 85 90 A D H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 111.0 50.5 -60.3 -42.2 27.5 -1.9 -1.5 86 91 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.905 108.6 51.1 -62.9 -43.8 28.6 -1.6 -5.2 87 92 A V H X S+ 0 0 40 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.920 110.6 49.0 -60.5 -45.0 28.4 2.2 -5.0 88 93 A K H X S+ 0 0 118 -4,-2.4 4,-1.9 1,-0.2 6,-0.3 0.952 114.1 45.2 -59.4 -49.6 30.5 2.3 -1.9 89 94 A E H X>S+ 0 0 22 -4,-2.5 6,-1.9 1,-0.2 5,-1.1 0.897 114.4 49.8 -60.8 -41.2 33.1 -0.0 -3.5 90 95 A N H ><5S+ 0 0 42 -4,-2.8 3,-1.0 1,-0.2 6,-0.2 0.957 113.1 44.2 -62.8 -49.7 33.0 2.0 -6.7 91 96 A D H 3<5S+ 0 0 126 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 115.5 48.2 -68.5 -27.7 33.5 5.4 -5.0 92 97 A E H 3<5S- 0 0 135 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.399 114.0-110.1 -98.6 2.8 36.2 4.2 -2.7 93 98 A G T S+ 0 0 0 -6,-1.9 4,-2.4 2,-0.2 5,-0.2 0.957 109.2 47.5 -62.9 -48.0 35.6 -2.1 -7.3 96 101 A K H > S+ 0 0 102 -7,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.914 111.2 52.8 -60.1 -41.2 38.4 -1.0 -9.7 97 102 A E H X S+ 0 0 75 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.921 108.8 49.3 -59.2 -46.1 40.9 -3.0 -7.5 98 103 A R H X S+ 0 0 26 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.930 113.8 46.4 -56.7 -47.7 38.8 -6.1 -7.7 99 104 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.7 0.874 108.5 54.3 -69.7 -35.6 38.4 -5.8 -11.5 100 105 A Q H ><5S+ 0 0 85 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.911 105.3 54.1 -62.6 -41.8 42.1 -5.1 -12.0 101 106 A K H 3<5S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.1 49.5 -63.8 -24.3 43.1 -8.3 -10.2 102 107 A L T 3<5S- 0 0 56 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.403 114.6-116.7 -92.8 0.0 40.8 -10.2 -12.5 103 108 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.685 82.1 121.8 71.2 19.5 42.3 -8.6 -15.7 104 109 A L S