==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-AUG-10 3OJ7 . COMPND 2 MOLECULE: PUTATIVE HISTIDINE TRIAD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 109 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 56.0 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 20.2 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 . 7 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 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 5 A C > 0 0 72 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 121.0 16.6 24.7 12.7 2 6 A I H > + 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.848 360.0 51.8 -64.7 -34.8 18.9 22.1 14.2 3 7 A F H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 107.2 50.7 -75.6 -34.6 17.0 22.1 17.5 4 8 A C H > S+ 0 0 38 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.934 113.2 48.2 -60.7 -42.9 13.6 21.5 15.9 5 9 A K H <>S+ 0 0 93 -4,-2.2 5,-2.6 2,-0.2 6,-1.0 0.909 111.1 48.8 -66.0 -38.5 15.2 18.6 14.0 6 10 A I H ><5S+ 0 0 11 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.935 109.4 53.4 -62.2 -47.4 16.8 17.1 17.1 7 11 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 111.1 45.8 -58.5 -27.6 13.4 17.4 19.0 8 12 A Q T 3<5S- 0 0 115 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.334 116.3-115.9-100.5 9.2 11.7 15.4 16.2 9 13 A K T < 5S+ 0 0 125 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.704 81.7 123.1 63.9 24.5 14.5 12.8 16.1 10 14 A Q S S- 0 0 11 46,-0.1 3,-2.0 47,-0.1 -1,-0.1 -0.962 70.2 -79.4-169.8 172.8 15.1 33.1 22.4 47 51 A L G > S+ 0 0 73 -2,-0.3 3,-1.6 1,-0.3 36,-0.1 0.738 119.9 71.8 -62.1 -23.6 14.0 34.5 25.7 48 52 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 3,-0.0 35,-0.0 0.575 90.1 62.2 -70.6 -5.5 13.4 37.8 24.1 49 53 A E G < S+ 0 0 102 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.257 73.8 116.4-100.8 11.7 10.4 36.2 22.4 50 54 A I < + 0 0 44 -3,-1.6 2,-0.3 -6,-0.1 5,-0.0 -0.618 44.1 179.0 -73.4 136.5 8.7 35.5 25.7 51 55 A T >> - 0 0 66 -2,-0.3 4,-0.9 1,-0.0 3,-0.7 -0.835 47.1 -99.4-128.4 171.0 5.4 37.5 25.8 52 56 A E T 34 S+ 0 0 151 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 0.848 123.6 58.8 -61.9 -27.3 2.6 37.8 28.4 53 57 A E T 34 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.759 115.6 30.5 -75.2 -25.9 0.7 35.3 26.2 54 58 A N T <> S+ 0 0 35 -3,-0.7 4,-2.4 2,-0.1 5,-0.2 0.339 89.0 99.9-113.9 8.8 3.4 32.5 26.5 55 59 A E H X S+ 0 0 111 -4,-0.9 4,-2.0 -3,-0.2 5,-0.1 0.878 81.4 54.1 -66.6 -30.3 4.8 33.3 29.9 56 60 A A H > S+ 0 0 82 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.918 109.2 49.1 -69.5 -39.5 2.8 30.5 31.5 57 61 A F H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 110.0 49.8 -63.0 -44.9 4.2 28.0 29.0 58 62 A I H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.877 107.9 55.1 -65.5 -31.1 7.8 29.1 29.6 59 63 A G H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.900 107.3 50.2 -61.9 -43.0 7.1 28.7 33.4 60 64 A K H X S+ 0 0 93 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 109.1 50.9 -62.1 -40.5 6.0 25.1 32.7 61 65 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 110.2 49.4 -61.7 -45.9 9.2 24.6 30.7 62 66 A L H X S+ 0 0 90 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.878 108.9 53.2 -63.9 -36.8 11.3 26.0 33.7 63 67 A Y H X S+ 0 0 140 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.958 109.7 47.7 -59.5 -47.2 9.3 23.6 36.0 64 68 A K H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.894 107.8 56.1 -65.6 -35.5 10.2 20.6 33.9 65 69 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.930 107.1 50.1 -53.8 -46.7 13.9 21.9 33.8 66 70 A S H X S+ 0 0 30 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.877 107.6 53.1 -64.9 -34.6 13.8 21.8 37.6 67 71 A L H X S+ 0 0 70 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.907 112.8 44.0 -67.6 -40.3 12.4 18.2 37.6 68 72 A I H X S+ 0 0 12 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.947 115.1 49.7 -66.2 -46.9 15.3 17.1 35.3 69 73 A G H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 7,-0.2 0.930 110.1 47.6 -60.0 -47.3 17.9 19.0 37.4 70 74 A K H < S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.9 45.4 -69.4 -28.2 16.8 17.7 40.8 71 75 A K H < S+ 0 0 165 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.936 122.4 33.8 -74.6 -51.5 16.8 14.0 39.4 72 76 A E H < S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.775 129.9 34.2 -76.3 -26.2 20.1 14.2 37.5 73 77 A C >< + 0 0 6 -4,-2.7 3,-2.2 -5,-0.3 -1,-0.2 -0.562 59.3 163.1-134.6 67.1 21.9 16.5 40.0 74 78 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.729 79.7 57.9 -62.0 -19.1 20.8 15.9 43.6 75 79 A E T 3 S- 0 0 193 1,-0.3 2,-0.1 -3,-0.1 -5,-0.1 0.413 126.2 -73.8 -88.1 -3.3 23.8 17.8 44.9 76 80 A G < - 0 0 39 -3,-2.2 25,-0.6 -7,-0.2 -1,-0.3 -0.318 46.7-150.0 122.9 156.2 22.8 20.9 43.0 77 81 A Y E -D 100 0A 80 23,-0.1 2,-0.4 -2,-0.1 23,-0.2 -0.986 11.1-130.6-156.6 157.0 22.8 22.3 39.4 78 82 A R E -D 99 0A 78 21,-2.6 21,-2.6 -2,-0.3 2,-0.5 -0.947 14.7-152.1-114.3 136.7 23.0 25.6 37.5 79 83 A V E -D 98 0A 58 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.929 17.4-176.8-109.3 128.9 20.5 26.6 34.8 80 84 A V E -D 97 0A 44 17,-1.9 17,-2.9 -2,-0.5 2,-0.4 -0.980 12.1-176.0-127.8 137.4 21.8 28.9 32.0 81 85 A N - 0 0 34 -2,-0.4 2,-0.4 15,-0.2 15,-0.1 -0.990 14.1-151.4-130.0 131.9 20.0 30.6 29.1 82 86 A N - 0 0 47 13,-0.5 2,-0.5 -2,-0.4 13,-0.2 -0.871 7.5-167.6-105.7 127.5 21.9 32.6 26.4 83 87 A I - 0 0 54 -2,-0.4 4,-0.5 -37,-0.1 3,-0.2 -0.964 49.0 -38.2-115.8 115.2 20.3 35.5 24.5 84 88 A G S >>S- 0 0 31 -2,-0.5 5,-2.2 1,-0.2 4,-0.6 -0.065 93.3 -33.9 73.9-167.3 22.0 36.9 21.4 85 89 A E T >45S+ 0 0 174 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.899 126.4 50.9 -70.0 -46.7 25.5 37.7 20.4 86 90 A D T 345S+ 0 0 173 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.799 112.9 49.3 -63.4 -26.1 27.2 38.8 23.6 87 91 A A T 345S- 0 0 40 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.567 113.7-118.0 -86.7 -8.2 26.0 35.6 25.4 88 92 A G T <<5 - 0 0 43 -3,-1.3 -3,-0.2 -4,-0.6 2,-0.1 0.676 41.8-179.6 82.8 22.1 27.1 33.4 22.5 89 93 A Q < + 0 0 39 -5,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.373 4.5 175.3 -60.8 121.4 23.7 32.1 21.6 90 94 A T + 0 0 126 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.771 63.0 46.5 -99.2 -39.0 24.5 29.7 18.7 91 95 A V S S- 0 0 23 2,-0.1 2,-1.6 4,-0.1 -1,-0.2 -0.953 73.8-142.0-110.0 125.4 21.1 28.1 17.9 92 96 A K S S+ 0 0 62 -2,-0.5 2,-0.3 -3,-0.1 -46,-0.1 -0.393 75.4 92.7 -82.8 62.7 18.1 30.4 17.7 93 97 A H S S- 0 0 0 -2,-1.6 -48,-0.3 -50,-0.1 -2,-0.1 -0.908 92.3-100.1-149.0 122.8 15.7 28.0 19.4 94 98 A I + 0 0 0 -50,-3.3 2,-0.4 -2,-0.3 -48,-0.1 -0.115 49.6 175.1 -56.8 132.4 15.4 28.6 23.1 95 99 A H - 0 0 8 -13,-0.2 2,-0.5 -56,-0.2 -13,-0.5 -0.981 20.8-150.0-142.5 127.8 17.5 26.1 25.1 96 100 A F E -C 38 0A 14 -58,-2.8 -58,-2.4 -2,-0.4 2,-0.4 -0.835 13.8-143.8 -96.6 130.5 18.2 25.8 28.8 97 101 A H E -CD 37 80A 23 -17,-2.9 -17,-1.9 -2,-0.5 2,-0.5 -0.824 6.7-160.1 -90.2 131.7 21.5 24.3 30.0 98 102 A I E -CD 36 79A 0 -62,-2.7 -62,-2.4 -2,-0.4 2,-0.4 -0.983 15.6-173.8-109.3 118.9 21.5 22.2 33.1 99 103 A L E +CD 35 78A 11 -21,-2.6 -21,-2.6 -2,-0.5 2,-0.3 -0.949 23.2 109.5-118.1 132.6 25.1 22.0 34.5 100 104 A G E +CD 34 77A 0 -66,-2.2 -66,-2.1 -2,-0.4 -23,-0.1 -0.921 14.2 109.7-170.6-163.8 26.1 19.8 37.5 101 105 A G S S+ 0 0 45 -25,-0.6 2,-0.3 -2,-0.3 -24,-0.1 0.407 91.5 37.8 90.9 -1.9 28.1 16.8 38.7 102 106 A K S S- 0 0 124 -26,-0.2 2,-0.7 -68,-0.1 -1,-0.1 -0.951 103.3 -74.7-160.1 168.6 30.8 18.9 40.5 103 107 A K - 0 0 93 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.663 63.7-134.6 -69.0 111.4 31.3 22.0 42.5 104 108 A L - 0 0 47 -2,-0.7 -72,-0.1 1,-0.1 -1,-0.0 -0.497 10.8-113.5 -82.2 141.3 30.9 24.5 39.6 105 109 A A - 0 0 56 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.227 16.1-159.7 -59.8 153.3 33.3 27.4 39.1 106 110 A W + 0 0 217 3,-0.0 2,-0.3 2,-0.0 -1,-0.0 -0.801 34.5 158.7-134.1 89.7 32.1 31.1 39.4 107 111 A D - 0 0 127 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.755 48.6 -79.8-116.2 158.9 34.7 33.0 37.4 108 112 A K 0 0 208 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.284 360.0 360.0 -53.5 132.4 35.0 36.3 35.7 109 113 A L 0 0 231 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.367 360.0 360.0 -98.0 360.0 33.3 36.2 32.3