==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 19-JUN-08 3DI5 . COMPND 2 MOLECULE: DINB-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 10987; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 73.3 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 . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0.7 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 . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 50.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 111 0, 0.0 2,-0.4 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 170.1 6.5 0.1 21.7 2 2 A Y - 0 0 55 102,-0.1 116,-0.1 99,-0.1 6,-0.1 -0.954 360.0-160.8-130.8 117.8 5.9 3.2 23.8 3 3 A Q S S+ 0 0 93 -2,-0.4 2,-0.3 1,-0.1 101,-0.1 0.867 71.6 27.3 -64.9 -35.8 2.2 3.8 24.7 4 4 A T > - 0 0 46 1,-0.1 4,-1.6 100,-0.1 5,-0.1 -0.901 65.4-128.7-135.3 155.4 2.8 7.5 25.6 5 5 A I H > S+ 0 0 8 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.915 114.2 47.8 -61.5 -47.8 4.9 10.6 24.9 6 6 A E H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 107.6 57.2 -65.8 -34.1 5.5 11.2 28.7 7 7 A G H > S+ 0 0 34 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.889 108.7 46.1 -60.8 -40.5 6.4 7.5 29.1 8 8 A F H X S+ 0 0 0 -4,-1.6 4,-3.6 1,-0.2 -2,-0.2 0.886 109.4 54.5 -67.3 -40.6 9.1 7.9 26.5 9 9 A L H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.795 102.9 56.0 -69.9 -27.7 10.4 11.2 28.1 10 10 A Q H X S+ 0 0 74 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.904 115.6 38.7 -66.5 -42.7 10.8 9.4 31.5 11 11 A S H X S+ 0 0 36 -4,-1.3 4,-1.8 2,-0.2 3,-0.3 0.948 118.4 49.0 -66.6 -50.4 13.1 6.9 29.7 12 12 A W H X S+ 0 0 1 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 0.839 105.2 57.7 -60.8 -37.3 14.7 9.5 27.5 13 13 A T H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.907 107.6 46.9 -62.5 -42.8 15.4 11.9 30.4 14 14 A Y H X S+ 0 0 110 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.890 114.6 48.4 -63.8 -41.0 17.5 9.2 32.2 15 15 A E H X S+ 0 0 16 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 114.9 43.0 -66.6 -45.7 19.3 8.4 29.0 16 16 A T H X S+ 0 0 14 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.909 112.9 51.3 -70.0 -42.9 20.1 12.1 28.1 17 17 A E H X S+ 0 0 93 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.942 113.5 46.7 -56.4 -48.8 21.1 13.1 31.6 18 18 A S H X S+ 0 0 3 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.884 114.8 45.7 -59.8 -43.0 23.5 10.1 31.7 19 19 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.922 111.6 51.7 -69.4 -42.8 25.0 10.8 28.3 20 20 A Q H X S+ 0 0 25 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.841 105.6 55.6 -63.7 -37.5 25.4 14.5 29.0 21 21 A K H X S+ 0 0 108 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.887 110.5 45.4 -61.5 -42.8 27.3 13.8 32.3 22 22 A X H >X S+ 0 0 1 -4,-1.3 3,-1.3 1,-0.2 4,-0.7 0.951 112.5 49.7 -66.3 -47.3 29.8 11.7 30.4 23 23 A L H >< S+ 0 0 3 -4,-2.5 3,-0.8 1,-0.3 58,-0.3 0.838 105.5 59.4 -57.4 -35.3 30.2 14.3 27.6 24 24 A D H 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.706 102.5 52.6 -69.8 -20.9 30.7 16.9 30.2 25 25 A V H << S+ 0 0 52 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.625 84.8 109.3 -86.8 -16.0 33.8 15.1 31.6 26 26 A L << - 0 0 15 -3,-0.8 2,-0.3 -4,-0.7 55,-0.1 -0.296 53.3-155.9 -69.6 144.2 35.6 14.8 28.3 27 27 A T > - 0 0 64 1,-0.1 4,-1.0 50,-0.1 -2,-0.1 -0.770 30.3-109.1-112.0 163.5 38.7 16.9 27.7 28 28 A D T 4 S+ 0 0 96 -2,-0.3 3,-0.5 1,-0.2 4,-0.3 0.876 120.2 51.7 -57.6 -40.6 40.2 18.0 24.4 29 29 A E T >4 S+ 0 0 99 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.888 102.3 58.9 -64.0 -42.9 43.1 15.5 24.9 30 30 A S G >4 S+ 0 0 4 1,-0.3 3,-2.0 2,-0.2 12,-0.4 0.746 88.6 74.9 -60.8 -27.3 40.8 12.6 25.5 31 31 A L G 3< S+ 0 0 13 -4,-1.0 12,-2.4 -3,-0.5 13,-0.4 0.763 89.4 58.3 -58.2 -27.6 39.1 13.0 22.2 32 32 A S G < S+ 0 0 89 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.563 77.2 123.2 -82.4 -3.2 42.2 11.5 20.5 33 33 A Q < - 0 0 61 -3,-2.0 9,-2.1 -4,-0.2 2,-0.3 -0.342 52.9-146.1 -64.5 128.3 41.9 8.3 22.5 34 34 A E B -A 41 0A 41 7,-0.2 7,-0.2 -2,-0.2 6,-0.1 -0.709 26.4-145.3-109.2 143.6 41.6 5.3 20.1 35 35 A I S S- 0 0 76 5,-2.6 -1,-0.1 -2,-0.3 6,-0.1 0.889 86.3 -38.6 -58.1 -42.9 39.9 2.0 20.1 36 36 A A S > S- 0 0 34 4,-0.3 3,-2.2 -3,-0.0 -1,-0.3 -0.944 85.1 -58.1-172.7 164.9 42.8 0.6 18.3 37 37 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.442 127.8 15.3 -58.3 126.9 45.3 1.5 15.6 38 38 A G T 3 S+ 0 0 89 1,-0.3 2,-0.2 -2,-0.2 0, 0.0 0.516 111.4 104.6 87.2 7.1 43.3 2.4 12.5 39 39 A H S < S- 0 0 120 -3,-2.2 -1,-0.3 1,-0.2 -3,-0.0 -0.590 76.8 -67.6-115.4 174.5 40.1 2.7 14.4 40 40 A W - 0 0 81 -2,-0.2 -5,-2.6 -6,-0.1 -4,-0.3 -0.192 43.6-133.0 -58.9 149.4 37.8 5.4 15.7 41 41 A T B > -A 34 0A 48 -7,-0.2 4,-2.3 -6,-0.1 -7,-0.2 -0.543 26.4-106.1 -94.6 167.3 38.7 7.8 18.4 42 42 A L H > S+ 0 0 0 -9,-2.1 4,-2.5 -12,-0.4 -11,-0.2 0.861 120.6 59.0 -59.1 -40.4 36.6 8.8 21.5 43 43 A G H > S+ 0 0 1 -12,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.866 108.0 45.4 -56.2 -40.3 35.9 12.2 19.8 44 44 A R H > S+ 0 0 56 -13,-0.4 4,-2.1 -3,-0.2 -2,-0.2 0.891 110.3 52.4 -75.0 -42.7 34.3 10.4 16.8 45 45 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.938 113.6 46.5 -50.6 -44.9 32.3 8.1 19.0 46 46 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.873 112.8 46.2 -71.9 -43.6 31.0 11.2 20.9 47 47 A W H X S+ 0 0 24 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.840 106.8 60.1 -67.1 -31.2 30.2 13.2 17.8 48 48 A H H X S+ 0 0 36 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.895 105.2 50.0 -62.2 -37.5 28.4 10.2 16.3 49 49 A I H X S+ 0 0 2 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.904 111.2 48.3 -65.1 -43.9 26.0 10.2 19.3 50 50 A V H >< S+ 0 0 5 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.964 116.1 41.7 -60.9 -50.8 25.3 13.8 18.9 51 51 A T H 3X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.3 -2,-0.2 0.749 99.8 74.2 -73.3 -25.8 24.7 13.6 15.1 52 52 A A H 3X S+ 0 0 7 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.710 83.5 70.0 -59.2 -20.4 22.7 10.3 15.5 53 53 A I H S+ 0 0 12 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.785 119.4 55.7 -61.0 -24.4 18.7 14.1 13.7 55 55 A V H < S+ 0 0 50 -4,-1.3 3,-0.5 2,-0.2 4,-0.4 0.938 110.9 40.5 -77.3 -46.2 19.8 11.1 11.6 56 56 A I H < S+ 0 0 11 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.904 120.1 45.5 -68.0 -36.7 17.7 8.4 13.3 57 57 A L H >X>S+ 0 0 0 -4,-1.9 3,-1.6 -5,-0.3 5,-0.6 0.603 86.5 93.5 -85.1 -3.5 14.6 10.8 13.6 58 58 A S G ><5S+ 0 0 74 -4,-0.7 3,-1.3 -3,-0.5 -1,-0.2 0.860 81.2 53.3 -61.3 -40.4 14.8 12.1 10.0 59 59 A G G 345S+ 0 0 29 -3,-0.4 50,-0.6 -4,-0.4 -1,-0.3 0.596 96.8 67.6 -71.6 -13.6 12.3 9.6 8.5 60 60 A T G <45S- 0 0 10 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.668 103.2-129.6 -75.7 -20.4 9.7 10.4 11.1 61 61 A G T <<5 + 0 0 52 -3,-1.3 2,-0.6 -4,-0.5 -3,-0.1 0.372 61.4 140.7 85.5 -6.9 9.3 13.9 9.6 62 62 A L < - 0 0 11 -5,-0.6 2,-0.4 1,-0.0 -1,-0.3 -0.601 43.1-151.4 -68.6 112.6 9.8 15.6 13.0 63 63 A K + 0 0 109 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.0 -0.744 30.2 140.8-103.8 132.7 11.9 18.5 12.0 64 64 A F - 0 0 43 -2,-0.4 2,-0.1 2,-0.1 27,-0.1 -0.980 51.5 -83.2-162.8 157.9 14.4 20.3 14.2 65 65 A E + 0 0 109 -2,-0.3 2,-0.2 21,-0.1 25,-0.1 -0.360 63.2 123.0 -69.7 137.9 17.9 22.0 14.1 66 66 A G - 0 0 27 -2,-0.1 -2,-0.1 24,-0.1 17,-0.0 -0.577 60.2-101.5 168.6 131.1 21.0 19.7 14.4 67 67 A E - 0 0 105 -2,-0.2 -12,-0.2 1,-0.1 -14,-0.1 -0.365 30.1-175.8 -56.5 137.8 24.2 18.7 12.6 68 68 A T + 0 0 82 -14,-0.1 2,-0.6 -15,-0.1 -1,-0.1 0.484 54.4 89.2-116.0 -14.6 23.8 15.4 10.8 69 69 A K - 0 0 47 1,-0.1 -17,-0.0 3,-0.0 -2,-0.0 -0.800 54.6-163.9 -92.6 119.7 27.4 14.7 9.4 70 70 A D + 0 0 36 -2,-0.6 -1,-0.1 3,-0.1 -22,-0.1 0.335 59.1 100.0 -87.7 10.0 29.7 12.9 11.8 71 71 A Y + 0 0 163 1,-0.1 2,-0.1 -24,-0.1 -1,-0.0 -0.986 66.5 37.6-141.5 133.3 32.8 13.9 9.9 72 72 A P S S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.597 87.4-142.7 -75.7 165.1 34.7 16.1 10.4 73 73 A V - 0 0 39 -2,-0.1 -29,-0.1 1,-0.1 -2,-0.1 -0.797 20.2-107.5 -97.0 136.3 34.8 15.8 14.2 74 74 A P - 0 0 26 0, 0.0 -27,-0.1 0, 0.0 -1,-0.1 -0.274 17.4-145.2 -56.1 147.7 35.1 18.9 16.4 75 75 A T S S+ 0 0 128 1,-0.0 2,-0.5 4,-0.0 -44,-0.1 0.586 78.9 72.1 -91.3 -9.3 38.4 19.4 18.1 76 76 A S >> - 0 0 34 1,-0.1 4,-1.2 -45,-0.0 3,-0.6 -0.911 68.7-148.9-112.5 129.9 37.0 20.9 21.3 77 77 A A H 3> S+ 0 0 6 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.764 99.0 63.4 -69.7 -19.8 35.1 18.8 23.8 78 78 A K H 3> S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.883 99.7 52.5 -70.5 -37.8 33.0 21.8 24.7 79 79 A T H <> S+ 0 0 74 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.893 112.1 46.3 -59.7 -41.2 31.6 21.9 21.2 80 80 A I H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.958 114.9 43.0 -68.9 -53.5 30.6 18.2 21.5 81 81 A A H X S+ 0 0 6 -4,-2.5 4,-1.9 -58,-0.3 -2,-0.2 0.885 118.3 46.5 -60.3 -40.4 29.0 18.3 24.9 82 82 A D H X S+ 0 0 55 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.921 109.0 55.3 -70.9 -44.8 27.2 21.6 24.0 83 83 A G H X S+ 0 0 17 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.907 108.3 48.8 -45.8 -51.1 26.1 20.2 20.7 84 84 A Y H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.924 112.5 47.8 -58.7 -45.7 24.5 17.3 22.5 85 85 A R H X S+ 0 0 105 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.943 114.1 47.8 -60.0 -48.5 22.7 19.6 24.9 86 86 A K H X S+ 0 0 113 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.908 114.9 42.1 -58.8 -52.3 21.5 21.9 22.1 87 87 A V H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.827 111.3 55.1 -74.7 -32.3 20.2 19.2 19.8 88 88 A N H X S+ 0 0 22 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.923 109.8 48.6 -61.6 -43.0 18.5 17.2 22.6 89 89 A T H X S+ 0 0 68 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.1 47.2 -62.8 -44.4 16.7 20.4 23.6 90 90 A A H X S+ 0 0 23 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.878 114.4 49.4 -65.2 -35.8 15.6 21.1 20.0 91 91 A F H >X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.6 0.990 112.7 43.1 -65.0 -57.4 14.5 17.5 19.6 92 92 A V H 3X S+ 0 0 27 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.788 112.6 55.5 -63.3 -30.9 12.5 17.2 22.9 93 93 A E H 3X S+ 0 0 115 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.3 0.867 109.3 46.4 -67.5 -36.1 10.9 20.6 22.1 94 94 A A H - 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