==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-MAY-09 2KJG . COMPND 2 MOLECULE: ARCHAEAL PROTEIN SSO6904; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR Y.FENG,H.YAO,J.WANG . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 72.7 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 . 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 . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 0 1 1 0 0 1 0 1 0 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 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 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 1 A M 0 0 155 0, 0.0 2,-0.3 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 92.3 -1.3 16.8 2.2 2 2 A S - 0 0 59 1,-0.0 75,-0.0 2,-0.0 0, 0.0 -0.805 360.0-169.6-138.6 179.9 -3.0 14.2 4.2 3 3 A I S S+ 0 0 13 -2,-0.3 3,-0.5 82,-0.0 6,-0.2 0.066 71.9 92.8-156.3 14.8 -4.0 10.6 4.0 4 4 A L + 0 0 127 1,-0.2 6,-0.1 5,-0.1 5,-0.0 0.594 56.6 87.0 -97.9 -14.9 -6.1 10.6 7.1 5 5 A E S S+ 0 0 98 4,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.671 80.4 73.4 -62.4 -18.6 -9.5 11.4 5.5 6 6 A D >> - 0 0 14 -3,-0.5 4,-0.9 1,-0.1 3,-0.9 -0.861 69.2-146.9-112.1 131.5 -10.2 7.7 4.9 7 7 A P H 3> S+ 0 0 77 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.701 96.8 68.2 -58.1 -23.7 -11.1 5.0 7.4 8 8 A E H 3> S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.911 98.3 53.1 -65.1 -34.6 -9.2 2.3 5.4 9 9 A F H <> S+ 0 0 11 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.897 104.8 51.6 -67.4 -42.8 -6.0 4.0 6.4 10 10 A V H X S+ 0 0 77 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.883 107.4 54.5 -65.0 -34.6 -6.6 4.0 10.1 11 11 A K H X S+ 0 0 69 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.892 106.0 51.8 -65.7 -38.0 -7.3 0.3 9.9 12 12 A L H X>S+ 0 0 3 -4,-1.7 4,-0.8 1,-0.2 5,-0.7 0.922 110.1 49.7 -59.5 -44.6 -3.9 -0.2 8.3 13 13 A R H <5S+ 0 0 95 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.867 108.4 53.5 -61.8 -39.1 -2.4 1.8 11.1 14 14 A Q H <5S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.884 107.3 49.6 -63.9 -41.1 -4.3 -0.5 13.6 15 15 A F H <5S- 0 0 95 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.621 101.2-139.9 -74.5 -14.0 -2.9 -3.6 12.1 16 16 A K T <5 - 0 0 117 -4,-0.8 2,-1.2 -3,-0.5 -3,-0.2 0.451 43.2 -94.4 69.7 2.6 0.6 -2.0 12.3 17 17 A G < - 0 0 8 -5,-0.7 -1,-0.2 1,-0.2 45,-0.1 -0.684 47.6-171.8 95.4 -80.3 1.3 -3.5 8.9 18 18 A K + 0 0 181 -2,-1.2 -1,-0.2 72,-0.3 2,-0.1 0.512 48.3 120.4 63.7 10.8 3.1 -6.8 9.9 19 19 A V S S- 0 0 25 -3,-0.1 2,-0.7 71,-0.1 -1,-0.2 -0.421 78.8 -83.0-100.6 169.7 3.9 -7.2 6.3 20 20 A N > - 0 0 75 1,-0.2 4,-2.8 -2,-0.1 5,-0.3 -0.682 32.8-158.1 -76.7 113.2 7.2 -7.6 4.4 21 21 A F H > S+ 0 0 67 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.873 91.9 52.2 -58.3 -34.8 8.4 -4.1 3.9 22 22 A N H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.885 112.2 42.9 -74.9 -37.8 10.5 -5.3 1.0 23 23 A L H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.920 114.6 48.5 -77.4 -40.8 7.8 -7.0 -0.8 24 24 A V H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.905 108.3 56.0 -65.1 -39.1 5.2 -4.2 -0.3 25 25 A M H X S+ 0 0 79 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.873 112.0 43.5 -57.9 -37.1 7.8 -1.7 -1.5 26 26 A Q H X S+ 0 0 99 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.878 111.5 53.1 -75.9 -40.1 8.0 -3.9 -4.6 27 27 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.958 114.3 42.5 -57.0 -51.7 4.2 -4.3 -4.9 28 28 A L H X S+ 0 0 2 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.892 116.6 48.8 -62.0 -41.5 3.8 -0.5 -4.7 29 29 A D H X S+ 0 0 71 -4,-1.6 4,-3.4 -5,-0.3 5,-0.3 0.916 108.8 53.4 -63.3 -45.1 6.7 -0.1 -7.1 30 30 A E H X S+ 0 0 42 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.894 113.8 40.1 -62.9 -45.0 5.4 -2.6 -9.5 31 31 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.904 116.5 53.5 -70.3 -37.0 2.0 -0.9 -9.8 32 32 A E H X S+ 0 0 26 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.950 106.4 48.9 -62.2 -53.4 3.6 2.5 -9.8 33 33 A L H X S+ 0 0 80 -4,-3.4 4,-0.9 1,-0.2 -1,-0.2 0.842 114.9 46.5 -59.4 -33.7 6.1 1.8 -12.6 34 34 A D H >X S+ 0 0 36 -4,-1.3 4,-3.5 -5,-0.3 3,-0.8 0.956 113.0 48.6 -71.0 -47.9 3.2 0.4 -14.7 35 35 A L H 3< S+ 0 0 12 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.695 103.9 61.8 -65.6 -23.8 1.0 3.4 -13.9 36 36 A R H 3< S+ 0 0 150 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.859 117.5 29.0 -71.0 -33.1 3.8 5.8 -14.7 37 37 A G H << S+ 0 0 71 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.1 0.841 128.1 43.4 -91.2 -38.2 3.7 4.5 -18.3 38 38 A S S < S- 0 0 57 -4,-3.5 3,-0.1 -5,-0.1 0, 0.0 -0.106 73.2-136.6 -94.5-170.3 0.1 3.5 -18.4 39 39 A D S S+ 0 0 129 1,-0.1 2,-0.7 -2,-0.1 -4,-0.1 0.472 76.7 81.6-128.2 -7.6 -3.0 5.4 -17.2 40 40 A N > + 0 0 51 1,-0.2 4,-1.8 -6,-0.1 -1,-0.1 -0.864 44.5 179.3-113.3 106.1 -5.1 2.8 -15.5 41 41 A I H > S+ 0 0 8 -2,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.801 83.0 62.1 -75.1 -27.6 -4.1 2.0 -11.9 42 42 A K H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 108.7 42.6 -59.4 -48.7 -7.0 -0.5 -11.6 43 43 A T H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.881 110.8 55.9 -65.2 -38.7 -5.4 -2.5 -14.4 44 44 A S H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.905 106.8 51.3 -58.8 -41.1 -2.0 -1.9 -12.8 45 45 A I H X S+ 0 0 18 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.935 104.2 59.3 -58.8 -46.3 -3.4 -3.5 -9.6 46 46 A I H X S+ 0 0 104 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.887 105.8 45.9 -51.8 -49.6 -4.6 -6.5 -11.6 47 47 A Y H X S+ 0 0 120 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.964 118.1 40.6 -61.1 -53.7 -1.1 -7.5 -12.9 48 48 A V H X S+ 0 0 2 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.881 117.8 46.0 -66.8 -42.8 0.7 -7.2 -9.7 49 49 A Y H < S+ 0 0 24 -4,-3.0 7,-0.2 2,-0.2 -1,-0.2 0.893 116.0 45.5 -71.0 -37.6 -2.0 -8.7 -7.5 50 50 A S H >< S+ 0 0 74 -4,-2.5 3,-0.7 -5,-0.4 -2,-0.2 0.826 116.1 47.7 -73.5 -31.4 -2.6 -11.6 -9.9 51 51 A S H 3< S+ 0 0 89 -4,-2.3 3,-0.3 -5,-0.3 -2,-0.2 0.935 120.1 36.4 -73.5 -43.8 1.1 -12.1 -10.2 52 52 A H T >X S+ 0 0 37 -4,-2.9 4,-2.3 1,-0.2 3,-1.1 -0.104 75.3 141.9-103.3 37.4 1.8 -12.0 -6.5 53 53 A L H <> + 0 0 100 -3,-0.7 4,-2.9 1,-0.3 5,-0.3 0.809 66.7 60.3 -47.1 -41.7 -1.5 -13.8 -5.5 54 54 A D H 3> S+ 0 0 79 -3,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.895 111.1 37.4 -57.5 -46.6 0.3 -15.7 -2.7 55 55 A E H <> S+ 0 0 28 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.873 113.7 57.5 -74.6 -34.3 1.2 -12.6 -0.9 56 56 A I H < S+ 0 0 24 -4,-2.3 7,-0.3 -7,-0.2 -2,-0.2 0.931 110.4 43.0 -61.3 -45.3 -2.1 -10.8 -1.7 57 57 A R H >< S+ 0 0 176 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.743 110.7 59.7 -71.8 -23.0 -4.1 -13.6 -0.1 58 58 A K H 3< S+ 0 0 109 -4,-0.9 2,-0.2 -5,-0.3 -2,-0.2 0.967 121.2 22.1 -68.5 -52.7 -1.6 -13.6 2.8 59 59 A N T 3X S+ 0 0 34 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 -0.413 80.0 151.9-112.5 52.7 -2.2 -10.0 3.8 60 60 A K H <> S+ 0 0 129 -3,-0.7 4,-1.9 -2,-0.2 5,-0.2 0.806 71.3 52.6 -60.7 -31.5 -5.6 -9.8 2.2 61 61 A E H > S+ 0 0 91 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 114.5 42.4 -66.4 -47.5 -6.7 -7.1 4.6 62 62 A F H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.951 116.3 46.8 -63.1 -51.5 -3.7 -5.0 3.9 63 63 A Y H X S+ 0 0 1 -4,-3.2 4,-1.5 -7,-0.3 -1,-0.2 0.771 112.5 50.7 -69.0 -26.4 -3.8 -5.5 0.1 64 64 A D H X S+ 0 0 106 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.966 115.1 41.6 -71.2 -50.7 -7.6 -4.8 -0.1 65 65 A M H X S+ 0 0 7 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.902 116.1 47.6 -66.0 -43.3 -7.4 -1.6 1.9 66 66 A I H X S+ 0 0 0 -4,-3.0 4,-3.7 1,-0.2 5,-0.2 0.935 107.8 56.2 -65.9 -41.7 -4.2 -0.3 0.2 67 67 A A H X S+ 0 0 12 -4,-1.5 4,-1.5 -5,-0.3 5,-0.2 0.869 110.8 45.6 -56.3 -39.0 -5.5 -1.1 -3.3 68 68 A E H X S+ 0 0 88 -4,-1.7 4,-2.7 2,-0.2 3,-0.2 0.990 116.7 43.8 -64.3 -56.6 -8.5 1.0 -2.5 69 69 A I H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.4 0.851 108.8 58.5 -56.6 -44.3 -6.4 3.8 -1.0 70 70 A L H X S+ 0 0 0 -4,-3.7 4,-1.5 2,-0.2 -1,-0.2 0.926 115.2 34.2 -54.6 -50.5 -3.8 3.7 -3.8 71 71 A Q H X S+ 0 0 45 -4,-1.5 4,-1.4 -3,-0.2 -2,-0.2 0.946 119.1 53.5 -70.2 -45.7 -6.3 4.4 -6.6 72 72 A R H < S+ 0 0 126 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.854 119.2 32.1 -57.9 -45.4 -8.3 6.7 -4.4 73 73 A Y H X>S+ 0 0 3 -4,-3.4 4,-3.6 -5,-0.2 5,-1.4 0.656 103.6 73.3 -94.5 -16.5 -5.5 8.9 -3.4 74 74 A Y H <5S+ 0 0 44 -4,-1.5 5,-0.3 -5,-0.4 -2,-0.2 0.888 97.7 52.1 -65.2 -33.9 -3.4 8.7 -6.6 75 75 A K T <5S+ 0 0 159 -4,-1.4 -1,-0.2 3,-0.1 -2,-0.2 0.791 120.5 34.3 -68.1 -25.6 -6.0 10.9 -8.2 76 76 A K T 45S+ 0 0 118 -3,-0.3 -2,-0.2 -4,-0.3 -1,-0.1 0.880 139.8 4.8 -99.4 -47.6 -5.6 13.4 -5.4 77 77 A I T <5S- 0 0 32 -4,-3.6 4,-0.2 1,-0.1 -3,-0.2 0.615 108.5 -97.4-115.9 -20.8 -1.9 13.4 -4.3 78 78 A G >< - 0 0 13 -5,-1.4 4,-2.2 -8,-0.1 3,-0.2 0.063 24.0 -99.3 111.2 142.4 -0.3 11.0 -6.7 79 79 A I H > S+ 0 0 4 -5,-0.3 4,-3.1 1,-0.2 5,-0.3 0.874 120.3 59.0 -62.5 -37.4 0.7 7.4 -6.7 80 80 A E H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 111.0 42.8 -53.2 -48.1 4.3 8.2 -5.8 81 81 A N H > S+ 0 0 72 -3,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.884 113.5 49.8 -68.0 -43.0 3.1 9.9 -2.7 82 82 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.942 109.7 51.3 -65.5 -45.8 0.6 7.3 -1.7 83 83 A N H X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.895 110.8 49.0 -56.6 -42.8 3.1 4.5 -2.0 84 84 A Q H X S+ 0 0 103 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.934 110.8 49.9 -64.3 -45.7 5.5 6.3 0.2 85 85 A L H X S+ 0 0 29 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.879 107.8 53.9 -63.1 -36.3 2.8 7.0 2.8 86 86 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.918 108.4 49.8 -64.4 -41.1 1.8 3.3 2.7 87 87 A L H X S+ 0 0 26 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.893 109.4 51.8 -62.4 -38.7 5.5 2.4 3.5 88 88 A T H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 106.5 55.2 -64.9 -33.4 5.4 4.9 6.3 89 89 A T H < S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 111.0 43.1 -72.1 -31.7 2.2 3.2 7.6 90 90 A I H < S+ 0 0 17 -4,-1.5 2,-0.5 -3,-0.2 -72,-0.3 0.556 101.9 86.1 -92.7 -9.1 3.9 -0.2 7.8 91 91 A K < - 0 0 99 -4,-0.8 2,-0.3 -5,-0.2 3,-0.1 -0.815 68.5-144.3 -99.6 128.7 7.0 1.1 9.3 92 92 A L - 0 0 48 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.0 -0.710 35.0-109.8 -78.7 144.7 7.6 1.7 12.9 93 93 A E S S- 0 0 119 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.910 72.8 -50.5 -46.7 -80.5 9.7 4.8 13.4 94 94 A H S S+ 0 0 149 1,-0.1 2,-1.1 4,-0.1 3,-0.3 0.364 108.5 99.7-143.6 1.4 13.2 3.5 14.6 95 95 A H + 0 0 109 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 -0.787 43.1 113.5 -96.9 95.1 12.4 1.2 17.5 96 96 A H S S+ 0 0 106 -2,-1.1 3,-0.4 3,-0.1 -1,-0.2 0.583 77.7 36.3-123.2 -63.6 12.6 -2.2 16.0 97 97 A H S S+ 0 0 192 1,-0.3 2,-0.6 -3,-0.3 -2,-0.1 0.811 129.9 38.7 -67.7 -29.1 15.5 -4.2 17.5 98 98 A H 0 0 156 -4,-0.2 -1,-0.3 1,-0.1 -4,-0.1 -0.817 360.0 360.0-121.6 87.9 14.8 -2.5 20.7 99 99 A H 0 0 187 -2,-0.6 -2,-0.1 -3,-0.4 -3,-0.1 0.221 360.0 360.0-144.0 360.0 11.0 -2.4 20.9