==== 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 UNKNOWN FUNCTION 04-DEC-06 2O4T . COMPND 2 MOLECULE: BH3976 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 90 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 72.2 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 1 0 0 0 0 0 0 1 0 0 1 0 0 1 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 16 A H 0 0 245 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.8 17.0 18.2 46.5 2 17 A V - 0 0 76 3,-0.0 5,-0.1 2,-0.0 0, 0.0 -0.965 360.0 -87.5-140.2 154.3 17.6 14.9 44.6 3 18 A S > - 0 0 61 -2,-0.3 3,-0.9 1,-0.1 4,-0.5 -0.262 34.7-127.7 -52.2 136.3 17.5 11.2 45.0 4 19 A R G > S+ 0 0 152 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.718 109.0 70.1 -59.2 -21.2 20.6 9.8 46.6 5 20 A V G > S+ 0 0 35 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.926 96.4 50.9 -59.5 -43.6 20.6 7.4 43.6 6 21 A E G < S+ 0 0 126 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.602 104.1 60.3 -69.3 -13.2 21.5 10.4 41.4 7 22 A K G < S+ 0 0 144 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.489 83.4 102.8 -93.7 -6.2 24.4 11.3 43.8 8 23 A L S < S- 0 0 10 -3,-1.4 5,-0.1 -4,-0.3 38,-0.1 -0.395 88.9 -89.4 -67.8 154.9 26.1 7.9 43.3 9 24 A P > - 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.301 44.3-107.3 -58.5 154.2 29.2 7.8 41.1 10 25 A K H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.859 118.4 53.2 -56.0 -40.0 28.2 7.1 37.4 11 26 A D H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 109.0 49.5 -62.0 -44.7 29.5 3.4 37.5 12 27 A Y H > S+ 0 0 2 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.898 109.1 53.4 -59.5 -43.6 27.4 2.7 40.6 13 28 A Q H X S+ 0 0 59 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 106.8 51.6 -60.0 -44.7 24.3 4.2 38.8 14 29 A I H X S+ 0 0 106 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.953 113.0 43.8 -55.2 -49.5 24.8 2.0 35.8 15 30 A V H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.926 111.0 56.2 -69.4 -36.9 24.9 -1.2 37.9 16 31 A Y H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.896 105.9 50.7 -60.2 -40.2 21.9 0.1 40.1 17 32 A K H X S+ 0 0 98 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.903 109.1 50.0 -64.3 -41.5 19.8 0.4 36.9 18 33 A E H X S+ 0 0 113 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.936 111.4 52.3 -57.9 -41.5 20.7 -3.1 35.9 19 34 A I H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.908 102.8 55.1 -63.8 -44.9 19.7 -4.2 39.5 20 35 A Q H X S+ 0 0 87 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.857 111.0 46.5 -55.8 -39.9 16.3 -2.5 39.4 21 36 A K H X S+ 0 0 152 -4,-1.3 4,-1.6 -3,-0.2 -1,-0.2 0.934 114.0 46.9 -69.1 -50.6 15.4 -4.5 36.3 22 37 A Y H X S+ 0 0 58 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.932 113.1 47.6 -54.5 -48.0 16.7 -7.8 37.6 23 38 A L H X S+ 0 0 9 -4,-3.0 4,-3.6 1,-0.3 -1,-0.2 0.883 106.5 57.1 -72.4 -38.1 14.9 -7.5 41.0 24 39 A F H < S+ 0 0 183 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.901 114.1 40.5 -49.4 -45.6 11.7 -6.5 39.4 25 40 A K H < S+ 0 0 143 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.777 136.2 14.8 -78.0 -32.1 11.9 -9.8 37.5 26 41 A V H < S+ 0 0 63 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.515 109.4 81.9-121.3 -5.3 13.2 -12.1 40.3 27 42 A G S < S- 0 0 11 -4,-3.6 7,-0.1 -5,-0.3 44,-0.1 -0.201 94.7 -45.3 -96.2-173.5 12.7 -10.2 43.6 28 43 A P - 0 0 42 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.184 45.4-149.2 -50.4 137.0 9.8 -9.6 46.0 29 44 A V + 0 0 136 -3,-0.1 2,-0.2 -4,-0.0 -2,-0.0 0.641 69.0 98.9 -81.4 -17.2 6.7 -8.7 44.0 30 45 A E S > S- 0 0 93 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.538 75.7-133.2 -82.0 140.7 5.3 -6.6 46.8 31 46 A L H > S+ 0 0 133 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 101.1 42.6 -56.7 -47.6 5.9 -2.8 46.3 32 47 A N H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 115.7 45.1 -72.8 -44.2 7.1 -2.2 49.9 33 48 A E H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 112.4 55.9 -65.7 -37.4 9.3 -5.1 50.3 34 49 A G H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 109.6 44.1 -56.3 -49.9 10.7 -4.3 46.8 35 50 A I H X S+ 0 0 82 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.847 109.6 57.1 -68.5 -31.4 11.6 -0.8 47.8 36 51 A G H X S+ 0 0 29 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.894 108.5 46.7 -61.7 -39.1 13.1 -2.0 51.0 37 52 A L H X S+ 0 0 13 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.938 113.3 47.6 -69.5 -46.9 15.4 -4.3 49.1 38 53 A L H X S+ 0 0 37 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.885 110.2 53.9 -55.6 -44.9 16.4 -1.5 46.6 39 54 A S H X S+ 0 0 66 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.922 109.0 48.9 -59.9 -46.7 17.0 0.8 49.6 40 55 A E H X S+ 0 0 77 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.906 110.7 48.7 -58.6 -42.8 19.3 -1.7 51.1 41 56 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.923 107.4 57.2 -66.6 -42.9 21.2 -2.2 47.9 42 57 A L H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.890 105.3 50.3 -51.3 -45.0 21.5 1.5 47.6 43 58 A G H X S+ 0 0 30 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.867 105.7 54.8 -63.6 -41.2 23.2 1.7 51.0 44 59 A F H X S+ 0 0 80 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.941 113.4 45.8 -47.9 -45.0 25.7 -1.0 50.0 45 60 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.885 109.7 50.6 -73.5 -43.0 26.4 1.3 47.1 46 61 A E H X S+ 0 0 71 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.909 114.5 44.3 -59.0 -45.6 26.7 4.5 49.0 47 62 A E H X S+ 0 0 126 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.880 110.7 56.6 -69.8 -37.4 29.1 3.0 51.6 48 63 A G H <>S+ 0 0 5 -4,-2.5 5,-2.4 -5,-0.3 4,-0.4 0.948 109.4 45.2 -50.8 -55.0 31.0 1.4 48.7 49 64 A A H ><5S+ 0 0 33 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.929 113.5 49.1 -53.2 -50.7 31.5 4.8 47.1 50 65 A A H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 108.5 54.3 -62.3 -32.6 32.5 6.4 50.5 51 66 A A T 3<5S- 0 0 56 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.490 117.5-113.8 -79.2 -5.0 34.9 3.6 51.1 52 67 A G T < 5 + 0 0 69 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.2 0.675 67.8 144.4 78.3 18.9 36.6 4.3 47.7 53 68 A K < - 0 0 119 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.579 52.0-121.3 -86.0 148.7 35.5 0.9 46.2 54 69 A G >> - 0 0 27 -2,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.657 34.4-108.2 -80.4 150.1 34.5 0.4 42.6 55 70 A V H >> S+ 0 0 8 1,-0.3 4,-2.5 -2,-0.3 3,-1.1 0.800 119.0 55.5 -48.8 -41.0 31.0 -0.9 42.2 56 71 A L H 3> S+ 0 0 79 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.712 99.5 61.7 -73.5 -17.0 32.1 -4.3 41.1 57 72 A D H <4 S+ 0 0 124 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.649 109.8 42.5 -72.4 -20.0 34.2 -4.5 44.3 58 73 A V H << S+ 0 0 32 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.870 130.8 22.2 -85.6 -52.8 30.9 -4.2 46.2 59 74 A T H < S- 0 0 13 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.777 100.7-130.2 -84.5 -26.6 28.8 -6.6 44.0 60 75 A G < - 0 0 31 -4,-1.7 -1,-0.1 -5,-0.3 6,-0.1 -0.188 41.3 -73.3 79.3 167.9 31.4 -8.8 42.4 61 76 A T S S+ 0 0 127 1,-0.2 2,-1.5 -2,-0.1 3,-0.2 0.820 126.8 71.0 -72.0 -25.9 31.3 -9.3 38.6 62 77 A D > + 0 0 100 1,-0.2 4,-1.1 -3,-0.1 -1,-0.2 -0.665 62.6 169.9 -89.5 77.3 28.4 -11.6 39.0 63 78 A V H > S+ 0 0 21 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.813 73.2 57.6 -59.7 -39.6 25.9 -8.9 39.9 64 79 A A H > S+ 0 0 34 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.935 103.7 54.1 -59.0 -43.9 22.9 -11.3 39.6 65 80 A A H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.833 106.7 53.4 -56.5 -30.0 24.6 -13.5 42.3 66 81 A F H X S+ 0 0 25 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.918 111.6 43.5 -68.7 -49.5 24.8 -10.4 44.5 67 82 A C H >< S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.919 109.5 57.8 -60.0 -47.0 21.1 -9.8 44.1 68 83 A D H >X S+ 0 0 79 -4,-2.9 3,-0.9 1,-0.3 4,-0.7 0.805 99.4 58.8 -55.9 -35.2 20.3 -13.5 44.6 69 84 A A H 3< S+ 0 0 82 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.727 106.2 48.9 -72.2 -16.3 22.0 -13.6 48.0 70 85 A L T << S+ 0 0 46 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.487 107.4 54.5 -98.5 -1.5 19.6 -10.8 49.3 71 86 A I T <4 S+ 0 0 42 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.503 70.1 106.5-107.9 -10.4 16.4 -12.5 48.0 72 87 A G S < S- 0 0 72 -4,-0.7 2,-0.3 2,-0.0 -1,-0.1 0.607 97.8 -19.6 -46.0 -18.7 16.8 -15.9 49.7 73 88 A D - 0 0 100 -3,-0.2 4,-0.1 0, 0.0 3,-0.1 -0.953 57.8-116.8-168.8-178.3 14.0 -14.9 52.3 74 89 A S S > S+ 0 0 65 -2,-0.3 4,-2.2 2,-0.1 5,-0.1 -0.046 73.0 115.8-122.5 29.8 12.2 -11.9 53.7 75 90 A K H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.831 76.2 55.2 -63.3 -32.9 13.3 -12.3 57.4 76 91 A T H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 109.9 42.9 -70.4 -48.9 15.2 -9.0 57.1 77 92 A Y H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 112.9 54.2 -58.3 -47.2 12.1 -7.0 56.0 78 93 A A H X S+ 0 0 48 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.870 107.4 50.5 -56.2 -42.8 10.0 -8.8 58.5 79 94 A D H X S+ 0 0 101 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.952 112.1 45.9 -58.1 -55.5 12.3 -7.8 61.3 80 95 A L H X S+ 0 0 105 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.873 114.5 49.8 -61.8 -35.6 12.4 -4.1 60.3 81 96 A Y H X S+ 0 0 129 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.942 112.0 45.2 -65.9 -52.3 8.6 -4.1 60.0 82 97 A Q H X S+ 0 0 147 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.854 111.7 53.6 -63.5 -33.8 7.9 -5.7 63.3 83 98 A E H X S+ 0 0 54 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.919 105.0 53.8 -69.6 -39.7 10.4 -3.4 65.1 84 99 A S H X S+ 0 0 49 -4,-1.7 4,-3.4 -5,-0.2 -1,-0.2 0.905 110.8 46.6 -62.7 -43.0 8.7 -0.3 63.7 85 100 A I H X S+ 0 0 88 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.977 107.4 55.4 -60.2 -57.7 5.3 -1.4 65.0 86 101 A Q H < S+ 0 0 134 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.832 116.4 41.4 -42.1 -39.0 6.7 -2.3 68.5 87 102 A Q H >< S+ 0 0 119 -4,-1.8 3,-3.5 2,-0.2 -2,-0.2 0.945 97.7 68.4 -75.6 -52.7 8.0 1.3 68.5 88 103 A H H 3< S+ 0 0 157 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.735 93.4 65.8 -47.3 -22.4 5.0 3.1 67.0 89 104 A V T 3< 0 0 117 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.943 360.0 360.0 -48.9 -54.2 3.6 2.1 70.4 90 105 A D < 0 0 149 -3,-3.5 -2,-0.2 -4,-0.4 -3,-0.1 0.997 360.0 360.0 -64.1 360.0 6.2 4.5 71.7