==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-SEP-10 3OXK . COMPND 2 MOLECULE: PUTATIVE HISTIDINE TRIAD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 115 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 19.1 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 2 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 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 -1 A G 0 0 123 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 176.2 15.4 3.1 -28.9 2 0 A S > - 0 0 68 1,-0.1 4,-0.9 3,-0.0 3,-0.4 -0.261 360.0-131.0 -76.0 152.4 16.5 4.7 -25.7 3 1 A M H >> S+ 0 0 93 1,-0.2 4,-3.3 2,-0.2 3,-0.5 0.859 108.2 62.8 -64.9 -39.0 14.6 5.1 -22.4 4 2 A A H 34 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 10,-0.1 0.845 111.5 38.5 -53.8 -36.8 15.6 8.7 -22.3 5 3 A D H 34 S+ 0 0 124 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.618 130.4 27.7 -89.5 -15.3 13.6 9.2 -25.5 6 4 A S H << S+ 0 0 75 -4,-0.9 2,-0.5 -3,-0.5 -2,-0.2 0.667 91.4 91.4-120.5 -30.0 10.7 6.8 -24.6 7 5 A C X - 0 0 14 -4,-3.3 4,-2.2 1,-0.1 5,-0.2 -0.668 58.5-149.1 -87.3 126.0 10.1 6.4 -20.9 8 6 A I H > S+ 0 0 83 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.884 99.6 46.2 -60.0 -38.1 7.5 8.8 -19.3 9 7 A F H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 109.0 54.1 -78.9 -32.3 9.3 8.9 -16.0 10 8 A C H > S+ 0 0 11 2,-0.2 4,-1.0 -7,-0.2 -1,-0.2 0.914 112.8 46.0 -58.9 -42.1 12.7 9.4 -17.5 11 9 A K H <>S+ 0 0 36 -4,-2.2 5,-2.8 2,-0.2 6,-0.8 0.903 111.2 49.7 -70.8 -41.1 11.2 12.4 -19.3 12 10 A I H ><5S+ 0 0 13 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.931 109.2 53.9 -60.6 -43.7 9.5 13.8 -16.2 13 11 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 111.2 44.6 -62.5 -27.6 12.8 13.4 -14.4 14 12 A Q T 3<5S- 0 0 110 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.273 115.8-117.2 -94.6 6.8 14.6 15.5 -17.1 15 13 A K T < 5S+ 0 0 121 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.786 80.7 126.4 59.6 31.6 11.7 18.0 -17.1 16 14 A Q S - 0 0 11 46,-0.1 3,-1.9 48,-0.1 -1,-0.2 -0.967 70.0 -79.6-166.2 176.6 11.0 -2.3 -11.3 53 51 A L G > S+ 0 0 72 -2,-0.3 3,-1.7 1,-0.3 36,-0.1 0.768 120.5 69.5 -62.3 -25.4 12.1 -3.7 -8.0 54 52 A N G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.0 35,-0.0 0.602 90.5 63.3 -69.2 -7.0 12.8 -7.1 -9.7 55 53 A E G < S+ 0 0 104 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.367 74.2 114.4 -97.5 3.2 15.7 -5.4 -11.5 56 54 A I < - 0 0 44 -3,-1.7 2,-0.3 -4,-0.1 5,-0.0 -0.545 50.3-168.2 -67.9 136.7 17.6 -4.7 -8.2 57 55 A T >> - 0 0 60 -2,-0.2 4,-1.2 1,-0.0 3,-0.6 -0.852 40.2-104.2-123.3 166.9 20.8 -6.8 -8.2 58 56 A E T 34 S+ 0 0 151 -2,-0.3 4,-0.3 1,-0.2 -1,-0.0 0.789 124.3 53.8 -60.7 -21.3 23.3 -7.6 -5.4 59 57 A E T 34 S+ 0 0 161 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.777 114.0 34.6 -86.0 -31.2 25.4 -5.0 -7.2 60 58 A N T <> S+ 0 0 37 -3,-0.6 4,-2.1 1,-0.1 3,-0.3 0.350 86.5 102.6-105.1 6.1 22.9 -2.0 -7.2 61 59 A E H X S+ 0 0 108 -4,-1.2 4,-2.2 1,-0.2 5,-0.1 0.876 77.9 56.2 -57.9 -39.4 21.4 -2.8 -3.9 62 60 A A H > S+ 0 0 81 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.914 106.9 48.8 -59.7 -45.4 23.4 -0.0 -2.1 63 61 A F H > S+ 0 0 44 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.901 110.0 50.8 -60.8 -43.4 22.0 2.6 -4.6 64 62 A I H X S+ 0 0 25 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.882 107.6 55.1 -63.5 -36.0 18.4 1.4 -4.0 65 63 A G H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.893 107.5 49.7 -55.3 -44.4 19.2 1.7 -0.2 66 64 A K H X S+ 0 0 92 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 109.0 51.2 -62.5 -43.5 20.2 5.3 -0.9 67 65 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.933 111.1 48.4 -59.8 -45.3 17.0 6.0 -2.8 68 66 A L H X S+ 0 0 88 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.887 108.8 53.6 -66.4 -36.9 15.0 4.5 0.1 69 67 A Y H X S+ 0 0 141 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.949 110.3 47.2 -58.6 -47.8 16.9 6.7 2.6 70 68 A K H X S+ 0 0 30 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.878 106.9 57.3 -64.7 -35.7 16.0 9.8 0.5 71 69 A V H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.932 107.7 48.9 -53.7 -42.4 12.4 8.6 0.4 72 70 A S H X S+ 0 0 31 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.858 108.5 52.3 -69.1 -36.2 12.5 8.6 4.2 73 71 A L H X S+ 0 0 71 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.907 114.0 43.4 -66.2 -39.6 13.9 12.1 4.3 74 72 A I H X S+ 0 0 12 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.936 114.8 50.3 -69.3 -46.6 11.1 13.4 2.0 75 73 A G H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 7,-0.2 0.909 108.7 50.0 -58.3 -46.2 8.5 11.4 4.0 76 74 A K H < S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.2 43.5 -70.5 -24.3 9.5 12.7 7.4 77 75 A K H < S+ 0 0 150 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.933 122.8 34.4 -78.9 -55.7 9.5 16.3 6.1 78 76 A E H < S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.786 129.7 34.2 -74.1 -26.6 6.2 16.2 4.1 79 77 A C >< + 0 0 7 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 -0.579 62.9 164.1-130.0 68.7 4.4 13.8 6.4 80 78 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.719 78.0 54.3 -65.0 -17.8 5.5 14.5 10.0 81 79 A E T 3 S- 0 0 189 1,-0.3 2,-0.1 27,-0.0 -5,-0.1 0.365 127.4 -67.2 -98.1 7.6 2.5 12.5 11.5 82 80 A G < - 0 0 41 -3,-2.0 25,-0.6 -7,-0.2 -1,-0.3 -0.294 47.6-152.4 125.8 156.6 3.4 9.4 9.4 83 81 A Y E -D 106 0A 77 23,-0.1 2,-0.4 -2,-0.1 23,-0.2 -0.983 11.9-132.2-155.6 157.9 3.5 8.1 5.9 84 82 A R E -D 105 0A 79 21,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.948 14.7-151.8-115.7 136.8 3.2 4.9 3.9 85 83 A V E -D 104 0A 56 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.934 17.4-177.0-111.1 131.7 5.7 3.8 1.2 86 84 A V E -D 103 0A 43 17,-1.9 17,-3.0 -2,-0.4 2,-0.4 -0.986 12.1-175.5-130.9 136.1 4.4 1.6 -1.6 87 85 A N - 0 0 36 -2,-0.4 2,-0.4 15,-0.2 15,-0.1 -0.995 13.7-151.7-130.7 133.2 6.1 -0.0 -4.6 88 86 A N - 0 0 46 13,-0.4 2,-0.5 -2,-0.4 -35,-0.2 -0.882 7.7-167.9-108.7 128.5 4.2 -2.0 -7.3 89 87 A I > - 0 0 54 -2,-0.4 4,-0.6 -37,-0.1 3,-0.2 -0.967 47.7 -40.6-120.3 112.3 5.9 -4.8 -9.2 90 88 A G H >>S- 0 0 28 -2,-0.5 5,-2.4 1,-0.2 4,-0.6 -0.042 93.5 -30.2 75.2-166.9 4.2 -6.2 -12.3 91 89 A E H >45S+ 0 0 96 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.885 127.3 48.5 -63.6 -52.0 0.7 -7.2 -13.3 92 90 A D H 345S+ 0 0 175 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.812 114.2 48.8 -65.1 -30.1 -1.0 -8.2 -10.1 93 91 A A H 3<5S- 0 0 41 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.571 113.9-119.1 -82.7 -9.4 0.2 -5.0 -8.3 94 92 A G T <<5 - 0 0 44 -3,-1.3 -3,-0.2 -4,-0.6 2,-0.2 0.721 41.9-178.9 80.6 22.6 -1.0 -2.9 -11.2 95 93 A Q < + 0 0 20 -5,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.405 7.1 171.0 -59.8 121.9 2.4 -1.5 -12.1 96 94 A T + 0 0 111 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.867 58.8 49.9 -96.1 -69.5 1.8 0.9 -15.0 97 95 A V S S- 0 0 29 1,-0.1 2,-1.4 2,-0.1 -1,-0.2 -0.560 73.1-142.9 -82.2 127.1 5.1 2.7 -15.7 98 96 A K S S+ 0 0 119 -2,-0.4 2,-0.3 -3,-0.1 -46,-0.1 -0.400 74.5 92.9 -88.8 58.6 8.2 0.5 -16.0 99 97 A H S S- 0 0 0 -2,-1.4 -48,-0.3 -50,-0.1 -47,-0.1 -0.913 91.3-102.6-147.2 116.5 10.5 2.9 -14.2 100 98 A I + 0 0 0 -50,-3.2 2,-0.3 -2,-0.3 -50,-0.1 -0.093 48.1 174.6 -52.0 133.3 10.8 2.2 -10.5 101 99 A H - 0 0 8 -13,-0.2 2,-0.5 -56,-0.2 -13,-0.4 -0.980 22.3-147.1-145.1 128.9 8.8 4.7 -8.4 102 100 A F E -C 44 0A 13 -58,-2.8 -58,-2.4 -2,-0.3 2,-0.5 -0.842 16.2-141.5 -97.0 127.5 8.1 4.8 -4.7 103 101 A H E -CD 43 86A 25 -17,-3.0 -17,-1.9 -2,-0.5 2,-0.5 -0.794 9.2-161.2 -83.7 130.0 4.7 6.2 -3.5 104 102 A I E -CD 42 85A 0 -62,-3.0 -62,-2.3 -2,-0.5 2,-0.4 -0.978 16.7-176.0-109.7 118.9 4.8 8.3 -0.4 105 103 A L E +CD 41 84A 10 -21,-2.6 -21,-2.5 -2,-0.5 2,-0.3 -0.939 21.2 103.6-121.4 135.8 1.2 8.5 1.0 106 104 A G E +CD 40 83A 0 -66,-2.2 -66,-1.9 -2,-0.4 -23,-0.1 -0.932 13.5 115.4-176.7-162.2 -0.0 10.5 4.0 107 105 A G S S+ 0 0 51 -25,-0.6 2,-0.3 -2,-0.3 -24,-0.1 0.446 91.0 39.9 92.1 -0.8 -1.9 13.6 5.3 108 106 A K S S- 0 0 121 -26,-0.2 2,-0.8 -68,-0.1 -1,-0.2 -0.939 105.2 -74.9-159.3 167.8 -4.7 11.5 6.9 109 107 A K - 0 0 96 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.698 63.8-134.0 -69.8 108.8 -5.2 8.3 8.9 110 108 A L - 0 0 44 -2,-0.8 -72,-0.1 1,-0.1 -1,-0.0 -0.514 13.3-114.3 -78.4 135.7 -4.7 6.0 5.9 111 109 A A - 0 0 55 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.167 16.3-157.6 -60.8 154.4 -7.1 3.1 5.4 112 110 A W + 0 0 218 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.784 33.1 160.1-134.3 89.6 -5.9 -0.5 5.6 113 111 A D - 0 0 123 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.717 48.1 -83.2-115.4 156.3 -8.5 -2.4 3.6 114 112 A K 0 0 204 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.312 360.0 360.0 -56.4 140.8 -8.6 -5.8 1.9 115 113 A L 0 0 238 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.367 360.0 360.0 -98.6 360.0 -7.0 -5.7 -1.5