==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-DEC-03 1RXE . COMPND 2 MOLECULE: ARSENATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.MESSENS,I.VAN MOLLE,P.VANHAESEBROUCK,M.LIMBOURG,K.VAN . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 2 0 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A D 0 0 219 0, 0.0 2,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 149.3 7.1 3.3 18.2 2 3 A K - 0 0 105 1,-0.1 29,-0.3 29,-0.1 2,-0.1 -0.306 360.0-129.4 -69.8 149.7 7.2 2.7 21.9 3 4 A K E -a 31 0A 115 27,-2.3 29,-2.8 -2,-0.1 2,-0.4 -0.433 23.9-119.0 -89.4 171.8 8.2 5.4 24.4 4 5 A T E -a 32 0A 16 27,-0.2 72,-2.1 -2,-0.1 71,-2.1 -0.964 22.7-170.5-120.9 129.9 10.8 4.7 27.1 5 6 A I E -ab 33 76A 0 27,-2.5 29,-2.1 -2,-0.4 2,-0.5 -0.963 4.8-164.0-118.8 135.4 10.2 4.8 30.9 6 7 A Y E -ab 34 77A 3 70,-2.4 72,-2.4 -2,-0.4 2,-0.5 -0.939 4.4-157.4-125.4 108.5 13.1 4.6 33.3 7 8 A F E -ab 35 78A 1 27,-2.8 29,-2.1 -2,-0.5 2,-0.4 -0.745 17.2-174.8 -86.9 125.4 12.4 3.9 37.0 8 9 A I E +ab 36 79A 8 70,-2.9 72,-3.1 -2,-0.5 73,-0.5 -0.958 11.0 154.1-127.4 139.3 15.1 5.1 39.3 9 10 A S E -a 37 0A 2 27,-1.7 29,-1.6 -2,-0.4 30,-0.2 -0.789 58.9 -80.0-145.1-174.8 15.7 4.6 43.0 10 11 A T S S+ 0 0 43 27,-0.2 29,-1.3 -2,-0.2 2,-0.3 0.886 116.6 6.2 -60.8 -41.2 18.3 4.5 45.7 11 12 A G S S- 0 0 9 26,-0.2 5,-0.3 27,-0.2 2,-0.2 -0.817 71.6-123.4-133.1 172.5 19.1 0.9 44.8 12 13 A N S S+ 0 0 0 28,-1.9 25,-0.1 27,-0.5 30,-0.1 -0.535 87.8 92.3-115.3 61.3 17.8 -1.3 42.0 13 14 A S S S- 0 0 20 -2,-0.2 31,-2.0 30,-0.2 34,-0.1 0.757 92.3 -7.6-120.9 -51.1 16.6 -3.9 44.5 14 15 A A S > S+ 0 0 7 29,-0.2 4,-2.6 -3,-0.1 5,-0.3 0.701 126.2 32.8-118.9 -75.4 13.0 -3.6 45.7 15 16 A R H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.926 125.0 43.1 -53.8 -51.7 10.8 -0.6 44.7 16 17 A S H > S+ 0 0 0 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.825 113.9 51.6 -66.9 -32.9 12.5 -0.2 41.3 17 18 A Q H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 112.0 45.5 -71.5 -40.1 12.5 -3.9 40.6 18 19 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.860 112.1 52.6 -70.9 -32.6 8.8 -4.3 41.4 19 20 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.3 -2,-0.2 0.920 109.9 48.4 -66.2 -43.3 8.1 -1.2 39.3 20 21 A E H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.926 112.0 50.3 -61.7 -43.7 10.0 -2.7 36.4 21 22 A G H X S+ 0 0 3 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.945 116.8 38.4 -59.9 -51.6 8.0 -6.0 36.9 22 23 A W H X S+ 0 0 13 -4,-2.8 4,-3.2 1,-0.2 5,-0.4 0.908 114.6 55.9 -64.9 -43.9 4.6 -4.2 36.9 23 24 A G H X>S+ 0 0 0 -4,-3.2 4,-3.0 -5,-0.2 5,-0.6 0.901 106.3 48.9 -56.6 -46.2 5.7 -1.8 34.2 24 25 A K H X5S+ 0 0 97 -4,-2.5 4,-0.8 3,-0.2 -1,-0.2 0.908 116.8 43.2 -61.4 -41.5 6.7 -4.6 31.7 25 26 A E H <5S+ 0 0 131 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 127.2 28.5 -69.8 -46.4 3.4 -6.3 32.3 26 27 A I H <5S+ 0 0 42 -4,-3.2 3,-0.2 -5,-0.1 -3,-0.2 0.859 133.4 29.2 -85.4 -40.4 1.1 -3.3 32.2 27 28 A L H >X5S+ 0 0 5 -4,-3.0 4,-1.5 -5,-0.4 3,-1.5 0.462 86.5 108.3-101.4 -4.4 3.0 -0.9 29.9 28 29 A G T 3<> - 0 0 30 -31,-2.0 4,-2.1 -2,-0.6 3,-0.7 -0.316 14.6-137.3 -58.3 126.9 15.7 -8.3 46.9 45 46 A P H 3> S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.872 105.3 49.9 -51.6 -43.0 14.6 -11.8 47.7 46 47 A K H 3> S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.800 106.6 55.2 -69.3 -28.5 11.4 -10.6 49.3 47 48 A A H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.905 107.9 50.0 -69.1 -40.9 10.6 -8.4 46.3 48 49 A I H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 10,-0.2 0.925 112.3 46.1 -62.9 -44.8 10.9 -11.6 44.1 49 50 A E H X S+ 0 0 69 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.912 110.6 53.7 -65.0 -41.4 8.6 -13.5 46.4 50 51 A A H X S+ 0 0 2 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.891 112.9 42.9 -60.6 -40.8 6.1 -10.6 46.5 51 52 A M H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.9 0.858 109.5 56.3 -74.5 -34.3 5.9 -10.4 42.7 52 53 A K H ><5S+ 0 0 119 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.860 99.7 62.6 -64.0 -31.0 5.7 -14.2 42.4 53 54 A E H 3<5S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.793 106.7 42.9 -63.5 -29.3 2.7 -14.0 44.7 54 55 A V T <<5S- 0 0 40 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.029 125.1-101.6-106.2 24.6 0.9 -11.9 42.0 55 56 A D T < 5S+ 0 0 149 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.809 81.6 126.8 61.3 37.2 2.1 -14.2 39.2 56 57 A I < - 0 0 14 -5,-2.5 2,-0.7 -8,-0.1 -2,-0.2 -0.990 49.0-146.9-126.2 125.8 4.9 -11.9 37.9 57 58 A D + 0 0 115 -2,-0.5 3,-0.2 1,-0.1 -9,-0.1 -0.808 32.6 154.8 -95.9 110.7 8.5 -13.3 37.5 58 59 A I > + 0 0 0 -2,-0.7 3,-1.8 -10,-0.2 -1,-0.1 0.236 46.1 105.5-113.7 11.9 11.2 -10.8 38.2 59 60 A S T 3 S+ 0 0 67 1,-0.3 -1,-0.1 -11,-0.1 -16,-0.1 0.656 79.1 52.9 -66.4 -14.5 13.8 -13.4 39.1 60 61 A N T 3 S+ 0 0 151 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.358 84.9 114.4-102.1 5.5 15.5 -12.9 35.8 61 62 A H < - 0 0 23 -3,-1.8 2,-0.3 1,-0.1 -18,-0.2 -0.308 61.3-131.7 -70.1 160.1 15.9 -9.1 36.2 62 63 A T - 0 0 82 -20,-0.1 2,-0.8 -45,-0.0 -2,-0.1 -0.837 12.2-125.9-111.6 150.6 19.3 -7.5 36.5 63 64 A S - 0 0 26 -2,-0.3 2,-0.3 -20,-0.1 -22,-0.1 -0.887 43.9-175.8 -98.2 111.1 20.2 -5.0 39.2 64 65 A D - 0 0 63 -2,-0.8 -27,-2.1 -29,-0.2 2,-0.2 -0.789 27.1-127.7-119.2 156.0 21.6 -2.1 37.3 65 66 A L B -c 37 0A 103 -2,-0.3 2,-0.4 -29,-0.2 -27,-0.2 -0.503 54.1 -75.7 -88.9 162.1 23.3 1.3 37.7 66 67 A I - 0 0 69 -29,-0.8 2,-0.7 -2,-0.2 -1,-0.1 -0.444 47.2-154.4 -63.9 116.6 21.9 4.5 36.1 67 68 A D >> - 0 0 76 -2,-0.4 4,-2.5 1,-0.1 3,-1.2 -0.848 7.6-157.2 -98.2 110.7 22.9 4.3 32.4 68 69 A N H 3> S+ 0 0 116 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.761 92.9 62.9 -58.2 -25.5 23.1 7.8 30.9 69 70 A D H 3> S+ 0 0 54 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.871 110.5 38.3 -67.5 -35.4 22.6 6.2 27.4 70 71 A I H <4 S+ 0 0 39 -3,-1.2 3,-0.3 2,-0.2 -2,-0.2 0.867 113.8 55.1 -80.2 -40.6 19.2 5.0 28.5 71 72 A L H >< S+ 0 0 16 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.929 106.3 51.8 -58.3 -46.1 18.4 8.2 30.5 72 73 A K H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 112.9 46.4 -62.3 -27.7 19.1 10.4 27.4 73 74 A Q T 3< S+ 0 0 145 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.3 0.205 89.4 112.7-100.8 14.5 16.7 8.2 25.5 74 75 A S < - 0 0 0 -3,-1.7 -69,-0.2 1,-0.2 3,-0.2 -0.700 48.7-165.4 -91.4 138.8 14.0 8.2 28.1 75 76 A D S S+ 0 0 65 -71,-2.1 21,-1.6 -2,-0.3 2,-0.4 0.814 85.4 20.3 -85.2 -36.4 10.6 9.9 27.5 76 77 A L E -bd 5 96A 9 -72,-2.1 -70,-2.4 19,-0.2 2,-0.5 -0.992 63.6-165.2-139.6 130.3 9.8 9.7 31.2 77 78 A V E -bd 6 97A 0 19,-2.3 21,-2.5 -2,-0.4 2,-0.5 -0.961 11.1-164.2-111.4 127.3 12.1 9.2 34.2 78 79 A V E -bd 7 98A 0 -72,-2.4 -70,-2.9 -2,-0.5 2,-0.4 -0.964 5.4-154.5-116.5 117.7 10.3 8.2 37.4 79 80 A T E -bd 8 99A 1 19,-2.0 21,-2.4 -2,-0.5 -70,-0.2 -0.783 7.0-170.6 -91.2 132.8 12.2 8.6 40.7 80 81 A L + 0 0 0 -72,-3.1 22,-2.1 -2,-0.4 2,-0.3 0.476 65.6 40.3-103.3 -5.4 10.9 6.2 43.4 81 82 A S S > S- 0 0 6 -73,-0.5 4,-2.0 20,-0.2 5,-0.1 -0.950 78.1-120.1-139.3 158.0 12.8 7.5 46.4 82 83 A S H > S+ 0 0 77 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.883 112.8 59.0 -65.1 -37.9 13.7 11.0 47.7 83 84 A D H > S+ 0 0 65 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.909 109.2 43.5 -56.7 -45.5 17.5 10.1 47.5 84 85 A A H 4 S+ 0 0 5 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.922 115.7 48.0 -68.6 -43.3 17.2 9.4 43.8 85 86 A D H >< S+ 0 0 37 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.903 111.6 48.5 -66.2 -41.1 15.1 12.5 43.1 86 87 A N H 3< S+ 0 0 123 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.729 114.8 46.0 -72.5 -21.1 17.3 14.9 45.1 87 88 A N T 3< S+ 0 0 109 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.346 81.4 117.4-102.0 4.9 20.4 13.6 43.4 88 89 A C < - 0 0 31 -3,-0.8 3,-0.1 -4,-0.4 -3,-0.0 -0.600 59.4-141.2 -75.0 124.5 19.0 13.7 39.9 89 90 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.136 40.3 -62.4 -76.5 179.5 21.1 16.2 37.8 90 91 A I - 0 0 169 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.491 66.2-142.3 -62.0 129.8 19.8 18.6 35.2 91 92 A L - 0 0 33 -2,-0.2 -1,-0.1 1,-0.1 -19,-0.0 -0.528 24.2 -81.2 -96.6 163.9 18.3 16.3 32.6 92 93 A P > - 0 0 44 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.331 46.7-111.2 -60.6 147.8 18.4 16.7 28.8 93 94 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.748 114.9 56.4 -51.5 -29.9 15.7 19.0 27.5 94 95 A N T 3 S+ 0 0 106 -22,-0.1 2,-0.3 2,-0.0 -22,-0.0 0.687 89.1 91.7 -79.9 -18.1 13.7 16.2 25.9 95 96 A V < - 0 0 18 -3,-1.7 2,-0.3 -19,-0.1 -19,-0.2 -0.612 60.4-155.8 -85.5 133.3 13.4 14.2 29.1 96 97 A K E -d 76 0A 52 -21,-1.6 -19,-2.3 -2,-0.3 2,-0.4 -0.797 11.0-157.5-103.3 149.0 10.3 14.5 31.4 97 98 A K E +d 77 0A 93 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.991 13.8 177.8-134.4 138.0 10.6 13.6 35.0 98 99 A E E -d 78 0A 61 -21,-2.5 -19,-2.0 -2,-0.4 2,-0.6 -0.982 20.5-140.5-133.7 144.9 8.0 12.6 37.7 99 100 A H E +d 79 0A 80 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.936 20.2 173.9-110.2 117.9 8.6 11.6 41.3 100 101 A W - 0 0 33 -21,-2.4 2,-0.2 -2,-0.6 -2,-0.0 -0.839 22.2-159.0-120.0 87.2 6.4 8.8 42.6 101 102 A G - 0 0 45 -2,-0.5 2,-0.3 -20,-0.0 -20,-0.2 -0.467 12.9-179.6 -74.0 139.7 7.8 8.2 46.1 102 103 A F - 0 0 25 -22,-2.1 -20,-0.1 -2,-0.2 -87,-0.1 -0.980 34.5 -96.7-135.1 147.7 7.3 4.9 47.9 103 104 A D - 0 0 94 -2,-0.3 -88,-0.0 1,-0.1 13,-0.0 -0.297 40.4-110.6 -64.0 147.4 8.4 3.8 51.3 104 105 A D - 0 0 85 1,-0.1 -1,-0.1 2,-0.1 9,-0.1 -0.716 26.3-167.5 -82.8 113.3 11.6 1.7 51.4 105 106 A P > + 0 0 0 0, 0.0 3,-2.2 0, 0.0 8,-0.2 0.567 41.4 132.3 -76.9 -11.1 10.6 -1.9 52.4 106 107 A A T 3 S+ 0 0 50 1,-0.3 3,-0.1 6,-0.1 -2,-0.1 -0.097 74.0 10.7 -47.8 134.4 14.2 -3.0 53.1 107 108 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.388 108.0 110.2 77.8 -3.4 14.8 -4.8 56.3 108 109 A K S < S- 0 0 109 -3,-2.2 -1,-0.3 1,-0.2 5,-0.0 -0.407 74.1 -84.6 -98.2 176.2 11.0 -5.2 56.9 109 110 A E >> - 0 0 145 -2,-0.1 3,-1.6 -3,-0.1 4,-1.0 -0.196 46.8 -95.7 -73.8 166.5 8.7 -8.2 56.8 110 111 A W H >> S+ 0 0 109 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.872 121.5 69.6 -47.1 -42.6 7.0 -9.7 53.6 111 112 A S H 3> S+ 0 0 51 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.798 95.6 50.5 -48.3 -38.7 4.0 -7.5 54.5 112 113 A E H <> S+ 0 0 45 -3,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.845 109.4 50.3 -72.9 -33.5 5.9 -4.3 53.7 113 114 A F H < S+ 0 0 22 -4,-1.8 3,-1.2 -5,-0.2 -1,-0.2 0.926 108.3 48.6 -61.4 -44.5 -0.4 6.0 34.7 128 129 A K H 3< S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 111.2 51.1 -65.2 -30.8 -1.4 3.7 31.8 129 130 A L T 3< 0 0 130 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.322 360.0 360.0 -92.3 7.7 -5.1 4.8 32.1 130 131 A R < 0 0 209 -3,-1.2 -3,-0.1 -4,-0.3 -4,-0.0 -0.169 360.0 360.0 -59.5 360.0 -4.3 8.6 31.9