==== 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 4MZB . COMPND 2 MOLECULE: GLUTAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.YOGAVEL,A.SHARMA . 106 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 74.5 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 9.4 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 . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 97 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -58.6 35.0 -2.2 3.8 2 7 A A H > + 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 360.0 48.7 -62.8 -42.8 33.6 -1.7 7.3 3 8 A V H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 112.4 47.5 -63.8 -47.8 30.2 -3.2 6.5 4 9 A K H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.922 112.1 50.9 -59.7 -43.2 31.6 -6.2 4.8 5 10 A K H X S+ 0 0 151 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.900 110.8 48.8 -60.3 -40.8 34.0 -6.8 7.6 6 11 A W H X S+ 0 0 92 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.907 113.2 45.8 -67.8 -43.3 31.2 -6.6 10.2 7 12 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.930 112.3 52.0 -63.6 -45.0 28.9 -9.0 8.3 8 13 A N H X S+ 0 0 48 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.905 104.9 56.2 -58.3 -42.1 31.8 -11.4 7.8 9 14 A K H X S+ 0 0 109 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.916 107.7 48.4 -55.9 -46.2 32.6 -11.3 11.5 10 15 A I H X S+ 0 0 14 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.914 115.6 43.5 -62.2 -44.4 29.0 -12.4 12.3 11 16 A I H < S+ 0 0 11 -4,-2.1 66,-0.3 1,-0.2 -1,-0.2 0.866 118.9 42.8 -68.1 -39.0 29.1 -15.3 9.7 12 17 A E H < S+ 0 0 119 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.657 114.4 47.8 -87.8 -19.5 32.6 -16.4 10.7 13 18 A E H < S+ 0 0 127 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.657 110.7 54.4 -96.4 -6.9 32.3 -16.2 14.5 14 19 A N < - 0 0 43 -4,-1.0 63,-0.3 -5,-0.2 62,-0.2 -0.959 68.3-149.0-130.2 122.5 28.9 -18.1 14.7 15 20 A I S S+ 0 0 48 -2,-0.5 61,-2.9 1,-0.2 2,-0.6 0.931 96.8 38.1 -58.4 -45.3 28.3 -21.5 13.2 16 21 A I E S-aB 43 75A 0 26,-2.8 28,-2.0 59,-0.2 2,-0.5 -0.933 77.6-179.4-109.2 117.4 24.6 -20.6 12.6 17 22 A A E -aB 44 74A 0 57,-2.5 57,-2.6 -2,-0.6 2,-0.5 -0.974 4.0-175.8-121.1 124.4 24.2 -17.0 11.5 18 23 A V E -aB 45 73A 0 26,-2.8 28,-2.7 -2,-0.5 2,-0.5 -0.984 12.2-157.5-123.9 124.0 20.8 -15.5 10.7 19 24 A F E +aB 46 72A 0 53,-2.6 53,-1.9 -2,-0.5 2,-0.2 -0.898 30.8 161.6 -98.3 128.0 20.2 -12.0 9.4 20 25 A A E -a 47 0A 6 26,-3.1 28,-2.5 -2,-0.5 29,-0.6 -0.706 27.8-139.5-136.4 176.9 16.7 -10.8 10.2 21 26 A K > - 0 0 96 26,-0.2 3,-0.6 -2,-0.2 2,-0.1 -0.862 41.6 -69.9-138.1 177.8 14.5 -7.7 10.5 22 27 A T T 3 S- 0 0 41 -2,-0.3 5,-0.0 1,-0.2 26,-0.0 -0.419 110.5 -1.1 -71.6 140.8 11.9 -6.5 12.9 23 28 A E T 3 S+ 0 0 176 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.910 85.2 156.0 50.2 58.8 8.5 -8.2 12.9 24 29 A a <> - 0 0 11 -3,-0.6 4,-2.6 1,-0.2 3,-0.5 -0.915 30.2-163.2-124.4 96.8 9.5 -10.7 10.1 25 30 A P H > S+ 0 0 95 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.873 91.3 47.8 -57.4 -40.7 7.3 -13.9 10.2 26 31 A Y H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.820 110.6 52.7 -72.6 -26.9 9.7 -15.9 8.0 27 32 A a H > S+ 0 0 3 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.940 111.7 46.5 -62.2 -50.6 12.6 -14.7 10.1 28 33 A I H X S+ 0 0 106 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 112.9 49.3 -59.0 -45.4 10.8 -15.9 13.2 29 34 A K H X S+ 0 0 104 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.934 112.2 47.4 -60.9 -48.2 9.9 -19.2 11.6 30 35 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.920 112.9 48.2 -60.9 -44.9 13.4 -19.9 10.4 31 36 A I H X S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.904 111.4 51.3 -62.9 -40.5 14.9 -19.1 13.8 32 37 A S H X S+ 0 0 82 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.891 108.7 50.7 -63.5 -43.2 12.3 -21.3 15.5 33 38 A I H X S+ 0 0 32 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.943 112.6 46.7 -60.4 -46.5 13.1 -24.2 13.3 34 39 A L H ><>S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 5,-1.0 0.918 110.7 50.7 -64.2 -43.4 16.8 -23.8 14.0 35 40 A K H ><5S+ 0 0 97 -4,-2.7 3,-2.1 1,-0.3 5,-0.3 0.814 99.1 68.0 -64.4 -26.0 16.3 -23.5 17.8 36 41 A G H 3<5S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.732 94.9 55.9 -63.9 -23.0 14.2 -26.7 17.5 37 42 A Y T <<5S- 0 0 61 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.230 121.8-111.9 -88.5 11.7 17.4 -28.5 16.7 38 43 A N T < 5S+ 0 0 137 -3,-2.1 3,-0.3 1,-0.1 -3,-0.2 0.905 74.2 140.2 58.4 44.7 18.8 -27.1 20.0 39 44 A L > < + 0 0 0 -5,-1.0 3,-2.3 1,-0.2 4,-0.2 0.378 26.0 111.8 -96.1 1.5 21.2 -24.9 18.1 40 45 A N G > S+ 0 0 85 -5,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.822 70.8 58.9 -46.7 -43.3 20.9 -21.9 20.4 41 46 A S G 3 S+ 0 0 103 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.710 114.6 36.7 -63.9 -20.1 24.4 -22.1 21.7 42 47 A H G < S+ 0 0 80 -3,-2.3 -26,-2.8 -28,-0.1 2,-0.4 0.068 100.3 99.3-118.0 16.3 25.8 -21.8 18.2 43 48 A M E < -a 16 0A 25 -3,-1.7 2,-0.4 -4,-0.2 -26,-0.2 -0.861 43.7-174.6-106.9 146.1 23.3 -19.3 16.8 44 49 A H E -a 17 0A 56 -28,-2.0 -26,-2.8 -2,-0.4 2,-0.5 -0.989 6.5-164.1-132.8 129.0 23.5 -15.6 16.3 45 50 A V E -a 18 0A 58 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.964 6.5-166.3-111.7 123.6 20.6 -13.5 15.0 46 51 A E E -a 19 0A 44 -28,-2.7 -26,-3.1 -2,-0.5 2,-1.0 -0.952 14.7-145.7-111.9 122.6 21.3 -10.0 13.8 47 52 A N E -a 20 0A 49 -2,-0.5 3,-0.3 -28,-0.2 -26,-0.2 -0.754 18.9-178.8 -86.3 100.5 18.5 -7.5 13.2 48 53 A I S S+ 0 0 0 -28,-2.5 3,-0.2 -2,-1.0 -27,-0.2 0.589 74.5 66.3 -81.3 -12.0 19.8 -5.6 10.2 49 54 A E S S+ 0 0 83 -29,-0.6 2,-1.8 1,-0.2 -1,-0.2 0.850 93.1 62.1 -71.6 -37.3 16.8 -3.3 10.1 50 55 A K S S+ 0 0 155 -3,-0.3 -1,-0.2 3,-0.1 -3,-0.1 -0.536 93.3 88.5 -85.4 69.7 17.9 -1.8 13.4 51 56 A N S > S- 0 0 37 -2,-1.8 3,-1.2 -3,-0.2 -3,-0.0 -0.928 78.7-131.2-165.4 136.3 21.1 -0.7 11.9 52 57 A P T 3 S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -4,-0.0 0.716 108.5 51.8 -69.7 -15.9 22.1 2.6 10.0 53 58 A D T 3> + 0 0 67 1,-0.2 4,-2.5 2,-0.1 3,-0.4 -0.025 66.1 132.3-112.0 31.0 23.6 0.5 7.2 54 59 A M H <> S+ 0 0 41 -3,-1.2 4,-2.9 1,-0.2 5,-0.2 0.884 74.2 49.0 -47.4 -51.9 20.7 -1.8 6.5 55 60 A A H > S+ 0 0 71 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 111.0 49.7 -61.6 -40.0 20.9 -1.3 2.7 56 61 A N H > S+ 0 0 88 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.907 112.4 48.1 -64.2 -40.9 24.6 -1.9 2.6 57 62 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.932 112.4 48.8 -63.7 -46.1 24.2 -5.1 4.6 58 63 A Q H X S+ 0 0 48 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.900 110.2 51.3 -61.3 -41.9 21.4 -6.3 2.3 59 64 A A H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.919 111.9 46.9 -62.2 -42.7 23.4 -5.5 -0.8 60 65 A Y H X S+ 0 0 26 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 109.1 53.9 -65.6 -42.9 26.4 -7.5 0.6 61 66 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 6,-0.5 0.879 108.5 50.9 -58.3 -35.2 24.1 -10.4 1.6 62 67 A K H X S+ 0 0 115 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.899 107.2 52.5 -68.9 -39.9 22.9 -10.4 -2.0 63 68 A E H < S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 117.3 40.1 -58.4 -37.9 26.5 -10.5 -3.3 64 69 A L H < S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.781 135.0 14.2 -80.4 -29.9 27.0 -13.5 -1.0 65 70 A T H < S- 0 0 29 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.533 96.5-108.7-129.3 -14.8 23.8 -15.3 -1.5 66 71 A G S < S+ 0 0 53 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.247 91.7 74.9 95.7 -11.6 21.8 -14.0 -4.5 67 72 A K - 0 0 113 -6,-0.5 -2,-0.2 2,-0.1 -1,-0.1 -0.986 56.9-158.5-135.2 148.4 19.1 -12.3 -2.5 68 73 A S + 0 0 47 -2,-0.3 -6,-0.1 -6,-0.1 -7,-0.1 0.425 64.6 103.5 -97.6 -5.0 18.9 -9.1 -0.5 69 74 A S - 0 0 56 2,-0.1 -2,-0.1 -8,-0.1 0, 0.0 -0.389 69.2 -88.4 -80.2 159.2 15.8 -10.2 1.6 70 75 A V S S+ 0 0 22 -2,-0.1 -50,-0.2 2,-0.1 -43,-0.2 -0.807 94.9 56.5-111.8 150.2 15.8 -11.5 5.1 71 76 A P + 0 0 7 0, 0.0 2,-0.4 0, 0.0 12,-0.2 0.462 65.2 175.4 -77.8 156.1 16.0 -13.9 6.6 72 77 A R E -B 19 0A 6 -53,-1.9 -53,-2.6 10,-0.1 2,-0.4 -0.996 12.5-163.2-126.1 123.1 19.4 -14.8 5.2 73 78 A I E -BC 18 81A 0 8,-2.4 7,-2.4 -2,-0.4 8,-1.7 -0.947 13.1-177.4-126.1 132.0 20.9 -17.9 6.8 74 79 A F E -BC 17 79A 4 -57,-2.6 -57,-2.5 -2,-0.4 2,-0.4 -0.967 6.7-166.1-122.3 141.6 24.5 -19.3 6.9 75 80 A I E > S-BC 16 78A 1 3,-2.3 3,-2.2 -2,-0.4 -59,-0.2 -0.981 82.7 -16.9-128.7 115.9 25.6 -22.6 8.4 76 81 A N T 3 S- 0 0 69 -61,-2.9 -61,-0.1 -2,-0.4 -60,-0.1 0.879 127.4 -57.9 56.3 37.9 29.4 -22.9 8.9 77 82 A K T 3 S+ 0 0 117 -62,-0.5 2,-0.3 -66,-0.3 -1,-0.3 0.400 112.0 125.7 70.2 0.1 29.8 -20.1 6.3 78 83 A D E < -C 75 0A 81 -3,-2.2 -3,-2.3 1,-0.0 2,-0.6 -0.675 67.6-113.9 -83.2 143.5 27.8 -22.1 3.8 79 84 A V E +C 74 0A 61 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.0 -0.671 38.7 167.7 -79.6 118.8 24.8 -20.4 2.3 80 85 A V E - 0 0 10 -7,-2.4 2,-0.5 -2,-0.6 -1,-0.2 0.857 35.8-151.8 -84.8 -50.8 21.5 -22.0 3.2 81 86 A G E -C 73 0A 3 -8,-1.7 -8,-2.4 4,-0.1 -1,-0.2 -0.968 38.0 -16.9 121.4-128.8 19.5 -19.0 1.9 82 87 A G S > S- 0 0 7 -2,-0.5 4,-2.1 -10,-0.2 5,-0.1 -0.308 77.1 -81.7-103.7-170.8 16.1 -18.0 3.2 83 88 A C H > S+ 0 0 3 -12,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 127.9 53.6 -61.1 -40.5 13.4 -19.7 5.3 84 89 A D H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 108.3 50.0 -64.8 -39.5 12.0 -21.5 2.3 85 90 A D H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 110.8 50.7 -60.9 -41.6 15.4 -22.9 1.5 86 91 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.903 108.7 51.0 -62.6 -43.3 15.7 -24.0 5.2 87 92 A V H X S+ 0 0 41 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.914 110.6 49.2 -61.6 -43.5 12.3 -25.7 5.0 88 93 A K H X S+ 0 0 117 -4,-2.3 4,-1.9 1,-0.2 6,-0.3 0.952 114.2 44.9 -60.0 -49.7 13.3 -27.6 1.9 89 94 A E H X>S+ 0 0 23 -4,-2.5 6,-1.9 1,-0.2 5,-1.1 0.896 114.7 49.8 -61.2 -41.0 16.6 -28.7 3.5 90 95 A N H ><5S+ 0 0 40 -4,-2.8 3,-1.0 4,-0.2 6,-0.2 0.955 113.3 44.0 -62.4 -50.1 14.8 -29.6 6.7 91 96 A D H 3<5S+ 0 0 125 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 115.6 48.3 -68.0 -28.5 12.1 -31.7 5.0 92 97 A E H 3<5S- 0 0 132 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.389 114.1-109.8 -98.5 4.0 14.5 -33.4 2.7 93 98 A G T S+ 0 0 0 -6,-1.9 4,-2.4 2,-0.2 5,-0.2 0.958 109.2 47.3 -62.3 -48.1 19.6 -29.8 7.3 96 101 A K H > S+ 0 0 101 -7,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.914 111.2 53.2 -61.3 -39.6 20.1 -32.7 9.7 97 102 A E H X S+ 0 0 84 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.923 108.4 49.2 -59.8 -45.7 23.0 -33.9 7.6 98 103 A R H X S+ 0 0 34 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.930 113.7 46.8 -56.0 -47.6 24.7 -30.5 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 53.7 -69.6 -36.1 24.2 -30.4 11.5 100 105 A Q H ><5S+ 0 0 89 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.910 105.3 54.5 -63.1 -40.5 25.5 -34.0 12.0 101 106 A K H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.1 49.3 -65.1 -23.6 28.7 -33.2 10.2 102 107 A L T 3<5S- 0 0 53 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.404 114.6-116.8 -92.4 -0.1 29.2 -30.2 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 81.7 122.2 71.0 19.6 28.6 -32.3 15.6 104 109 A L S