==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-AUG-10 3ON1 . COMPND 2 MOLECULE: BH2414 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR Y.FAN,O.KAGAN,A.SAVCHENKO,A.JOACHIMIAK,A.EDWARDS,MIDWEST CEN . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 9.1 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 . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 0 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 . 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 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 E 0 0 233 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.6 1.0 25.5 8.0 2 4 A A > - 0 0 40 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.314 360.0-116.1 -62.9 153.7 4.3 26.9 6.6 3 5 A K H > S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 115.2 52.6 -59.2 -40.5 6.7 24.3 5.2 4 6 A W H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.853 106.9 51.8 -70.7 -31.4 9.3 25.2 7.9 5 7 A L H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 111.4 47.2 -66.6 -43.4 6.8 24.6 10.7 6 8 A S H X S+ 0 0 79 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.916 112.5 49.4 -61.7 -45.1 5.8 21.2 9.4 7 9 A L H X S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.863 105.7 56.9 -63.8 -37.3 9.5 20.3 9.0 8 10 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.890 103.9 54.8 -59.5 -39.8 10.2 21.4 12.6 9 11 A G H X S+ 0 0 16 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.887 107.1 49.0 -59.2 -43.1 7.5 18.9 13.6 10 12 A L H X S+ 0 0 73 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.872 108.5 53.7 -64.9 -37.6 9.4 16.1 11.8 11 13 A A H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 6,-0.3 0.900 109.6 48.4 -62.5 -41.1 12.6 17.2 13.6 12 14 A A H ><5S+ 0 0 33 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.913 108.6 53.5 -62.6 -45.3 10.8 16.9 16.9 13 15 A R H 3<5S+ 0 0 200 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.906 109.5 49.1 -51.8 -44.6 9.5 13.5 15.9 14 16 A A T 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.347 114.6-119.5 -81.6 4.1 13.1 12.4 15.2 15 17 A R T < 5S+ 0 0 213 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.833 73.5 133.0 57.9 37.5 14.3 13.8 18.6 16 18 A Q < + 0 0 55 -5,-2.9 69,-3.1 -6,-0.1 70,-0.5 0.157 46.6 84.8-103.5 17.3 16.6 16.2 16.8 17 19 A L E -A 84 0A 25 -6,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.925 50.3-169.0-123.3 147.9 15.6 19.3 18.8 18 20 A L E -A 83 0A 26 65,-2.3 65,-2.8 -2,-0.4 2,-0.3 -0.924 13.6-162.7-119.5 150.9 16.6 20.9 22.1 19 21 A T E +A 82 0A 33 -2,-0.3 63,-0.2 63,-0.2 4,-0.2 -0.941 41.0 64.8-131.9 161.3 14.7 23.8 23.7 20 22 A G S > S- 0 0 30 61,-1.7 4,-2.8 -2,-0.3 5,-0.3 0.300 74.4-104.0 101.2 133.5 15.4 26.3 26.4 21 23 A E H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 118.2 40.0 -53.3 -52.2 17.9 29.2 26.5 22 24 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 116.2 49.7 -69.0 -41.8 20.4 27.5 28.8 23 25 A Q H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 113.9 46.1 -62.9 -41.8 20.1 24.1 27.3 24 26 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 110.7 51.7 -70.7 -42.1 20.6 25.4 23.7 25 27 A V H X S+ 0 0 8 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.936 111.4 48.5 -56.1 -47.3 23.5 27.7 24.6 26 28 A K H X S+ 0 0 137 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.901 111.6 49.4 -60.3 -42.8 25.3 24.7 26.2 27 29 A A H <>S+ 0 0 2 -4,-2.0 5,-2.8 2,-0.2 6,-0.6 0.869 108.7 52.5 -66.6 -38.6 24.6 22.5 23.1 28 30 A V H ><5S+ 0 0 4 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.936 109.5 49.8 -58.7 -46.8 26.0 25.2 20.8 29 31 A Q H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.803 109.6 51.9 -65.1 -28.8 29.1 25.4 22.9 30 32 A N T 3<5S- 0 0 100 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.321 115.4-115.3 -88.3 6.3 29.4 21.5 22.7 31 33 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.742 84.0 119.1 66.1 27.1 29.1 21.6 18.9 32 34 A Q < + 0 0 105 -5,-2.8 2,-0.4 -6,-0.1 -4,-0.2 0.477 59.1 65.7 -99.1 -7.3 25.8 19.7 19.0 33 35 A V + 0 0 2 -6,-0.6 52,-0.2 -5,-0.2 3,-0.1 -0.968 45.8 176.9-125.9 131.5 23.6 22.4 17.4 34 36 A T S S+ 0 0 51 50,-2.7 2,-0.3 -2,-0.4 51,-0.1 0.401 73.9 26.3-114.3 -1.4 23.8 23.7 13.8 35 37 A L E -B 84 0A 0 49,-0.7 49,-3.0 24,-0.1 2,-0.5 -0.924 61.0-156.4-157.6 137.8 20.8 26.1 13.8 36 38 A V E -Bc 83 61A 0 24,-2.3 26,-2.6 -2,-0.3 2,-0.5 -0.972 7.0-162.2-115.0 130.3 19.0 28.2 16.4 37 39 A I E -Bc 82 62A 0 45,-2.9 45,-2.6 -2,-0.5 2,-0.4 -0.966 9.2-166.9-109.7 123.7 15.5 29.3 16.0 38 40 A L E -Bc 81 63A 0 24,-3.6 26,-2.4 -2,-0.5 43,-0.2 -0.931 22.4-119.3-111.9 133.6 14.3 32.1 18.2 39 41 A S E > - c 0 64A 0 41,-2.6 3,-1.6 -2,-0.4 26,-0.2 -0.430 18.8-128.2 -61.7 140.7 10.7 33.2 18.7 40 42 A S T 3 S+ 0 0 53 24,-0.9 26,-0.2 25,-0.5 -1,-0.1 0.765 112.8 59.6 -56.6 -24.8 10.0 36.8 17.6 41 43 A D T 3 S+ 0 0 74 23,-0.2 -1,-0.3 24,-0.1 3,-0.1 0.579 77.9 120.9 -77.6 -17.6 8.5 37.0 21.1 42 44 A A S < S- 0 0 4 -3,-1.6 -4,-0.0 38,-0.2 5,-0.0 -0.152 76.1 -96.3 -53.0 143.2 11.7 36.1 22.9 43 45 A G > - 0 0 39 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.251 31.0-115.3 -58.2 149.9 13.0 38.7 25.3 44 46 A I H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.842 117.1 53.5 -61.5 -32.5 15.6 41.1 24.0 45 47 A H H > S+ 0 0 141 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 108.9 48.8 -69.8 -36.3 18.2 39.8 26.4 46 48 A T H > S+ 0 0 25 -3,-0.2 4,-2.5 2,-0.2 5,-0.3 0.922 112.3 49.4 -63.7 -45.4 17.5 36.2 25.2 47 49 A K H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.941 112.8 46.8 -58.0 -49.7 17.8 37.5 21.6 48 50 A K H X S+ 0 0 97 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.932 112.2 50.1 -57.3 -50.3 21.1 39.2 22.4 49 51 A K H X S+ 0 0 54 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.925 115.3 41.5 -57.7 -51.3 22.6 36.2 24.3 50 52 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.923 115.9 49.5 -63.7 -45.0 21.8 33.7 21.5 51 53 A L H X S+ 0 0 84 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.876 114.5 45.6 -65.0 -38.4 22.9 36.1 18.7 52 54 A D H X S+ 0 0 115 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.956 117.5 42.9 -63.4 -53.7 26.1 36.9 20.5 53 55 A K H X S+ 0 0 81 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.928 117.6 44.1 -62.9 -49.4 26.9 33.2 21.3 54 56 A C H X>S+ 0 0 0 -4,-3.1 5,-2.7 1,-0.2 4,-0.8 0.836 109.0 59.3 -68.1 -32.0 25.9 31.8 17.9 55 57 A G H ><5S+ 0 0 50 -4,-1.5 3,-0.6 -5,-0.4 -1,-0.2 0.925 105.9 48.4 -56.5 -47.2 27.8 34.7 16.2 56 58 A S H 3<5S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.874 117.9 39.8 -60.9 -40.8 31.0 33.5 17.9 57 59 A Y H 3<5S- 0 0 117 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.471 110.0-122.7 -88.2 -3.1 30.4 29.9 16.9 58 60 A Q T <<5 + 0 0 176 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.901 58.6 151.2 56.5 45.6 29.2 30.9 13.4 59 61 A I < - 0 0 33 -5,-2.7 -1,-0.2 -6,-0.1 -24,-0.1 -0.924 49.6-114.0-102.9 126.7 25.9 29.1 13.9 60 62 A P - 0 0 55 0, 0.0 -24,-2.3 0, 0.0 2,-0.4 -0.320 29.2-161.8 -61.3 142.4 22.9 30.6 12.0 61 63 A V E -c 36 0A 26 -26,-0.2 2,-0.4 -10,-0.0 -24,-0.2 -0.999 2.8-165.5-125.9 127.6 20.1 32.1 14.1 62 64 A K E -c 37 0A 38 -26,-2.6 -24,-3.6 -2,-0.4 2,-0.6 -0.926 9.5-154.1-111.7 138.6 16.7 32.8 12.8 63 65 A V E +c 38 0A 63 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.951 40.2 142.4-110.8 110.3 14.1 35.0 14.5 64 66 A V E -c 39 0A 23 -26,-2.4 -24,-0.9 -2,-0.6 -23,-0.2 -0.952 39.2 -8.1-147.4 159.4 10.7 33.8 13.4 65 67 A G S S- 0 0 25 -2,-0.3 -25,-0.5 -26,-0.2 2,-0.3 -0.114 79.6 -77.8 61.5-146.9 7.0 33.2 14.3 66 68 A N > - 0 0 45 -27,-0.2 4,-2.1 -26,-0.2 5,-0.2 -0.907 40.3 -96.2-145.3 174.0 5.9 33.4 17.9 67 69 A R H > S+ 0 0 83 -2,-0.3 4,-2.1 1,-0.2 12,-1.9 0.796 121.1 54.2 -69.1 -26.1 6.1 31.1 20.9 68 70 A Q H > S+ 0 0 89 10,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.953 110.4 44.6 -68.4 -52.4 2.7 29.7 20.3 69 71 A X H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 116.2 47.8 -57.9 -42.9 3.4 28.7 16.7 70 72 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 9,-0.2 -2,-0.2 0.935 113.0 46.7 -67.4 -47.5 6.8 27.2 17.7 71 73 A G H ><>S+ 0 0 0 -4,-2.1 5,-3.1 8,-0.3 3,-0.8 0.941 113.2 49.6 -56.8 -51.3 5.5 25.3 20.6 72 74 A R H ><5S+ 0 0 210 -4,-2.7 3,-2.1 5,-0.5 -2,-0.2 0.904 103.6 59.7 -54.2 -47.6 2.6 23.9 18.6 73 75 A A H 3<5S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 112.3 39.5 -54.6 -32.1 4.9 22.8 15.7 74 76 A I T <<5S- 0 0 21 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.213 122.3-100.9-107.1 15.1 6.8 20.5 18.1 75 77 A G T < 5S+ 0 0 69 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.743 89.3 106.9 75.9 25.7 3.8 19.2 20.1 76 78 A K S - 0 0 58 -70,-0.5 4,-2.7 1,-0.1 5,-0.1 -0.948 66.8-151.0-114.4 121.2 20.8 17.5 12.8 87 89 A A H > S+ 0 0 46 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.823 96.9 53.8 -58.7 -37.3 22.8 19.4 10.1 88 90 A G H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 111.9 43.8 -63.3 -48.2 20.4 18.3 7.3 89 91 A F H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.910 112.5 54.4 -60.3 -42.8 17.4 19.7 9.1 90 92 A S H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.926 109.7 46.3 -58.0 -47.4 19.3 22.8 10.0 91 93 A R H X S+ 0 0 175 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.954 116.6 43.7 -59.5 -51.5 20.2 23.5 6.4 92 94 A K H X S+ 0 0 124 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.891 112.9 50.3 -66.2 -43.4 16.7 22.9 5.1 93 95 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.923 111.9 49.1 -60.4 -43.6 15.0 24.9 7.9 94 96 A A H X S+ 0 0 14 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.920 110.8 50.0 -62.7 -43.9 17.3 27.8 7.3 95 97 A A H X S+ 0 0 55 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.897 112.0 48.0 -60.7 -41.4 16.6 27.7 3.5 96 98 A L H < S+ 0 0 28 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.919 114.7 44.8 -67.3 -44.6 12.9 27.6 4.1 97 99 A I H < S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 115.1 48.9 -63.8 -40.7 13.0 30.5 6.5 98 100 A D H < 0 0 106 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.576 360.0 360.0 -77.7 -10.9 15.4 32.5 4.2 99 101 A E < 0 0 185 -4,-0.8 -2,-0.1 -3,-0.4 -3,-0.1 0.862 360.0 360.0 -81.5 360.0 13.1 31.8 1.2