==== 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 26-AUG-10 3OMF . COMPND 2 MOLECULE: PUTATIVE HISTIDINE TRIAD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SSGCID,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DIS . 111 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 54.1 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 19.8 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 19.8 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 3 A D 0 0 130 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.6 13.7 8.9 -25.5 2 4 A S + 0 0 114 1,-0.0 2,-0.5 5,-0.0 0, 0.0 0.662 360.0 92.0-120.4 -30.9 10.7 6.5 -24.7 3 5 A C > - 0 0 17 1,-0.1 4,-2.1 90,-0.0 5,-0.2 -0.657 57.9-149.1 -87.0 122.6 10.0 6.3 -20.9 4 6 A I H > S+ 0 0 81 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.861 99.2 45.8 -55.9 -38.4 7.5 8.7 -19.5 5 7 A F H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.850 108.6 54.9 -79.5 -32.7 9.2 8.8 -16.0 6 8 A C H > S+ 0 0 30 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.902 112.4 46.2 -57.9 -40.3 12.7 9.2 -17.5 7 9 A K H <>S+ 0 0 41 -4,-2.1 5,-2.9 2,-0.2 6,-0.7 0.907 110.2 50.5 -74.2 -42.1 11.2 12.3 -19.4 8 10 A I H ><5S+ 0 0 12 -4,-2.3 3,-1.6 4,-0.2 -1,-0.2 0.920 108.2 55.2 -56.0 -44.0 9.5 13.7 -16.3 9 11 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 110.9 44.1 -60.1 -30.9 12.8 13.3 -14.5 10 12 A Q T 3<5S- 0 0 114 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.290 116.3-116.0 -97.8 8.3 14.5 15.4 -17.2 11 13 A K T < 5S+ 0 0 125 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.775 81.8 124.7 61.6 31.0 11.6 17.9 -17.2 12 14 A Q S - 0 0 11 46,-0.1 3,-2.0 48,-0.1 -1,-0.1 -0.962 68.8 -80.6-164.6 176.3 11.0 -2.4 -11.3 49 51 A L G > S+ 0 0 74 -2,-0.3 3,-1.8 1,-0.3 36,-0.1 0.759 120.6 70.2 -60.9 -25.9 12.0 -3.8 -7.9 50 52 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.0 35,-0.0 0.571 89.9 62.8 -68.5 -9.0 12.7 -7.1 -9.7 51 53 A E G < S+ 0 0 102 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.312 74.5 115.3 -96.9 7.1 15.6 -5.4 -11.4 52 54 A I < - 0 0 46 -3,-1.8 2,-0.3 -4,-0.1 5,-0.0 -0.578 46.5-175.4 -73.0 140.5 17.4 -4.8 -8.1 53 55 A T >> - 0 0 60 -2,-0.2 4,-1.0 1,-0.0 3,-0.8 -0.825 43.6-102.1-130.5 166.1 20.7 -6.8 -8.0 54 56 A E T 34 S+ 0 0 150 -2,-0.3 4,-0.3 1,-0.2 3,-0.2 0.827 123.7 55.8 -59.1 -26.5 23.4 -7.4 -5.4 55 57 A E T 34 S+ 0 0 164 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.687 115.6 31.8 -84.2 -21.7 25.4 -4.9 -7.3 56 58 A N T <> S+ 0 0 37 -3,-0.8 4,-2.1 2,-0.1 -1,-0.2 0.306 88.7 101.0-113.6 8.8 22.8 -2.0 -7.2 57 59 A E H X S+ 0 0 110 -4,-1.0 4,-2.0 1,-0.2 5,-0.1 0.871 79.3 55.0 -64.6 -36.2 21.2 -2.8 -3.9 58 60 A A H > S+ 0 0 83 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.916 107.4 50.8 -61.7 -43.0 23.3 -0.0 -2.1 59 61 A F H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 109.2 49.6 -60.3 -45.2 21.9 2.5 -4.6 60 62 A I H X S+ 0 0 24 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.858 107.7 55.3 -64.0 -33.1 18.3 1.4 -4.0 61 63 A G H X S+ 0 0 40 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 107.5 49.4 -60.9 -41.5 19.0 1.7 -0.2 62 64 A K H X S+ 0 0 93 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.889 109.6 51.5 -65.2 -39.3 20.0 5.3 -0.8 63 65 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.943 110.7 47.8 -62.2 -46.9 16.9 5.9 -2.8 64 66 A L H X S+ 0 0 90 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.871 109.2 54.6 -63.3 -34.2 14.8 4.5 0.1 65 67 A Y H X S+ 0 0 139 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.949 109.4 46.7 -61.6 -47.2 16.8 6.7 2.5 66 68 A K H X S+ 0 0 31 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.869 107.0 58.0 -65.5 -34.5 15.9 9.8 0.4 67 69 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.933 107.0 48.9 -54.4 -43.9 12.2 8.5 0.4 68 70 A S H X S+ 0 0 31 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.860 108.8 51.9 -67.3 -35.9 12.3 8.6 4.2 69 71 A L H X S+ 0 0 68 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.894 113.6 44.4 -66.8 -40.9 13.8 12.2 4.3 70 72 A I H X S+ 0 0 12 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.956 115.3 48.9 -65.8 -50.1 11.0 13.4 1.9 71 73 A G H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 7,-0.2 0.905 109.2 49.9 -57.1 -47.7 8.3 11.5 3.9 72 74 A K H < S+ 0 0 125 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 116.5 43.9 -66.8 -27.6 9.3 12.7 7.4 73 75 A K H < S+ 0 0 151 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.942 122.5 34.3 -76.5 -53.6 9.4 16.3 6.1 74 76 A E H < S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.796 130.5 34.4 -75.1 -27.0 6.1 16.2 4.1 75 77 A C >< + 0 0 5 -4,-2.9 3,-2.1 -5,-0.4 -1,-0.2 -0.541 60.5 161.1-131.3 67.1 4.3 13.9 6.5 76 78 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.708 79.2 57.6 -60.5 -21.8 5.4 14.5 10.1 77 79 A E T 3 S- 0 0 188 1,-0.3 2,-0.1 27,-0.0 -5,-0.1 0.416 126.7 -75.3 -88.6 -1.4 2.3 12.6 11.4 78 80 A G < - 0 0 39 -3,-2.1 25,-0.6 -7,-0.2 -1,-0.3 -0.309 46.9-148.6 120.7 156.4 3.3 9.5 9.4 79 81 A Y E -D 102 0A 78 23,-0.1 2,-0.4 -2,-0.1 23,-0.2 -0.988 10.5-131.1-157.1 156.2 3.4 8.1 5.9 80 82 A R E -D 101 0A 79 21,-2.4 21,-2.9 -2,-0.3 2,-0.5 -0.927 14.9-153.7-114.1 137.8 3.1 4.9 3.9 81 83 A V E -D 100 0A 56 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.960 16.7-176.0-113.3 131.2 5.5 3.9 1.2 82 84 A V E -D 99 0A 45 17,-1.8 17,-3.0 -2,-0.5 2,-0.4 -0.978 11.8-175.0-130.9 137.6 4.3 1.6 -1.6 83 85 A N - 0 0 36 -2,-0.4 2,-0.5 15,-0.2 15,-0.1 -0.996 12.5-152.8-132.8 133.2 6.0 -0.0 -4.6 84 86 A N - 0 0 47 13,-0.5 2,-0.5 -2,-0.4 13,-0.2 -0.895 7.3-168.7-109.2 127.3 4.1 -2.0 -7.3 85 87 A I > - 0 0 54 -2,-0.5 4,-0.5 -37,-0.1 3,-0.2 -0.971 49.2 -36.6-119.6 114.4 5.8 -4.8 -9.2 86 88 A G T 4>S- 0 0 28 -2,-0.5 5,-2.4 1,-0.2 4,-0.5 -0.067 94.0 -34.4 75.1-165.2 4.1 -6.3 -12.3 87 89 A E T >45S+ 0 0 181 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.864 126.7 50.4 -71.7 -46.3 0.6 -7.1 -13.3 88 90 A D T 345S+ 0 0 169 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.815 113.7 48.5 -63.7 -29.6 -1.2 -8.2 -10.1 89 91 A A T 3<5S- 0 0 41 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.538 114.7-120.2 -83.3 -9.3 0.1 -5.0 -8.3 90 92 A G T < 5 - 0 0 45 -3,-1.0 -3,-0.2 -4,-0.5 2,-0.2 0.719 41.1-177.8 77.6 24.1 -1.1 -2.9 -11.2 91 93 A Q < + 0 0 15 -5,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.375 6.4 173.5 -59.0 122.1 2.3 -1.5 -12.1 92 94 A T + 0 0 103 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.871 60.0 47.1 -93.1 -74.0 1.7 0.9 -15.0 93 95 A V S S- 0 0 28 1,-0.1 2,-1.4 2,-0.1 -1,-0.2 -0.538 74.6-141.2 -80.1 130.0 5.0 2.7 -15.8 94 96 A K S S+ 0 0 114 -2,-0.3 2,-0.3 -3,-0.1 -46,-0.1 -0.413 74.9 94.7 -90.1 60.6 8.0 0.4 -16.0 95 97 A H S S- 0 0 0 -2,-1.4 -48,-0.3 -50,-0.1 -47,-0.1 -0.929 91.0-101.3-146.8 120.0 10.4 2.8 -14.2 96 98 A I + 0 0 0 -50,-3.7 2,-0.3 -2,-0.3 -48,-0.1 -0.155 48.4 175.0 -56.2 130.7 10.7 2.1 -10.5 97 99 A H - 0 0 8 -13,-0.2 2,-0.5 -56,-0.2 -13,-0.5 -0.976 21.8-149.0-142.9 125.5 8.6 4.6 -8.4 98 100 A F E -C 40 0A 13 -58,-2.8 -58,-2.3 -2,-0.3 2,-0.5 -0.828 16.0-142.2 -91.0 127.6 8.0 4.8 -4.7 99 101 A H E -CD 39 82A 25 -17,-3.0 -17,-1.8 -2,-0.5 2,-0.5 -0.789 8.7-160.9 -85.4 129.6 4.6 6.2 -3.6 100 102 A I E -CD 38 81A 0 -62,-3.0 -62,-2.5 -2,-0.5 2,-0.4 -0.982 16.6-175.0-107.9 120.5 4.7 8.3 -0.4 101 103 A L E +CD 37 80A 10 -21,-2.9 -21,-2.4 -2,-0.5 2,-0.3 -0.941 21.3 106.7-121.7 134.7 1.2 8.5 1.0 102 104 A G E +CD 36 79A 0 -66,-2.4 -66,-2.1 -2,-0.4 -23,-0.1 -0.916 14.2 112.8-173.6-163.0 -0.0 10.6 3.9 103 105 A G S S+ 0 0 41 -25,-0.6 2,-0.3 -2,-0.3 -24,-0.1 0.416 91.1 37.0 90.9 -1.8 -2.0 13.6 5.2 104 106 A K S S- 0 0 122 -26,-0.2 2,-0.9 -68,-0.1 -1,-0.1 -0.944 104.5 -73.3-159.9 170.5 -4.7 11.5 6.9 105 107 A K - 0 0 195 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.708 63.2-135.2 -73.5 108.8 -5.2 8.3 8.9 106 108 A L - 0 0 43 -2,-0.9 -72,-0.1 1,-0.1 -3,-0.0 -0.478 13.2-114.6 -78.4 136.1 -4.8 6.0 5.9 107 109 A A - 0 0 56 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.132 15.2-156.5 -59.7 156.7 -7.2 3.1 5.4 108 110 A W + 0 0 216 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.767 33.6 159.6-135.0 89.7 -6.0 -0.5 5.6 109 111 A D - 0 0 124 -2,-0.3 2,-0.0 1,-0.1 -2,-0.0 -0.677 48.0 -81.1-113.4 160.9 -8.6 -2.4 3.6 110 112 A K 0 0 205 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.355 360.0 360.0 -60.3 141.1 -8.7 -5.8 1.9 111 113 A L 0 0 238 -3,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 -0.351 360.0 360.0 -97.1 360.0 -7.0 -5.7 -1.5