==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-APR-05 1ZG2 . COMPND 2 MOLECULE: HYPOTHETICAL UPF0213 PROTEIN BH0048; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR J.M.ARAMINI,G.V.T.SWAPNA,R.XIAO,L.MA,R.SHASTRY,M.CIANO, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 75.5 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 . 16 17.0 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 . 1 1.1 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 . 15 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 31.9 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 1 0 0 0 0 0 1 1 0 1 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A M 0 0 169 0, 0.0 2,-0.7 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 164.5 -0.3 -15.7 -5.3 2 7 A N - 0 0 36 2,-0.0 2,-0.8 50,-0.0 20,-0.2 -0.837 360.0-166.5 -99.8 113.0 1.5 -12.5 -5.9 3 8 A H E +A 53 0A 26 -2,-0.7 50,-2.3 50,-0.6 2,-0.5 -0.859 12.8 170.0-104.9 106.8 0.9 -9.8 -3.3 4 9 A Y E -AB 52 20A 85 16,-2.4 16,-3.1 -2,-0.8 2,-0.8 -0.948 20.5-154.4-117.9 112.1 2.0 -6.3 -4.4 5 10 A V E -AB 51 19A 0 46,-3.6 46,-2.6 -2,-0.5 2,-0.4 -0.760 17.8-170.6 -84.5 113.3 1.0 -3.4 -2.2 6 11 A Y E -AB 50 18A 71 12,-2.5 12,-1.6 -2,-0.8 2,-0.5 -0.871 11.2-164.6-105.8 136.5 0.9 -0.3 -4.4 7 12 A I E -AB 49 17A 0 42,-1.5 41,-2.4 -2,-0.4 42,-0.8 -0.971 10.9-170.0-121.2 115.5 0.5 3.2 -3.0 8 13 A L E -AB 47 16A 32 8,-2.2 8,-3.7 -2,-0.5 2,-0.6 -0.910 20.8-133.9-111.4 127.1 -0.3 5.8 -5.6 9 14 A E E -AB 46 15A 46 37,-3.6 37,-2.3 -2,-0.5 6,-0.2 -0.689 31.1-146.6 -77.6 117.7 -0.4 9.5 -5.0 10 15 A C > - 0 0 33 4,-3.1 3,-1.3 -2,-0.6 35,-0.1 -0.218 29.6 -92.2 -81.2 174.3 -3.6 10.8 -6.5 11 16 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.802 126.5 52.9 -53.3 -32.2 -4.2 14.2 -8.2 12 17 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.694 119.8-106.3 -82.9 -19.7 -5.4 15.5 -4.8 13 18 A G S < S+ 0 0 41 -3,-1.3 2,-0.3 1,-0.4 -2,-0.1 0.346 78.0 132.0 105.9 -4.3 -2.2 14.5 -2.9 14 19 A S - 0 0 80 -5,-0.1 -4,-3.1 1,-0.0 2,-0.6 -0.629 58.4-124.5 -79.9 138.1 -3.9 11.6 -1.1 15 20 A W E -B 9 0A 56 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.3 -0.759 18.0-142.9 -89.3 124.4 -2.1 8.3 -1.2 16 21 A Y E -B 8 0A 128 -8,-3.7 -8,-2.2 -2,-0.6 2,-0.5 -0.753 16.4-160.7 -91.8 116.1 -4.1 5.5 -2.5 17 22 A T E +B 7 0A 28 -2,-0.6 2,-0.2 -10,-0.2 -10,-0.2 -0.843 29.5 127.4-103.4 130.2 -3.4 2.2 -0.7 18 23 A G E -B 6 0A 8 -12,-1.6 -12,-2.5 -2,-0.5 2,-0.4 -0.807 42.9-134.8-175.7 136.8 -4.2 -1.1 -2.2 19 24 A Y E -B 5 0A 73 -14,-0.3 -14,-0.3 -2,-0.2 2,-0.3 -0.842 20.2-147.7-102.0 137.1 -2.5 -4.4 -2.8 20 25 A T E -B 4 0A 21 -16,-3.1 -16,-2.4 -2,-0.4 2,-0.1 -0.687 14.2-176.9-100.5 153.1 -2.9 -6.2 -6.1 21 26 A T + 0 0 56 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.1 -0.530 32.1 122.7-152.1 74.8 -2.9 -10.0 -6.7 22 27 A D >> - 0 0 50 -20,-0.2 4,-0.5 1,-0.1 3,-0.5 -0.976 44.5-156.3-137.2 127.3 -3.2 -11.2 -10.3 23 28 A V H >> S+ 0 0 71 -2,-0.4 4,-1.9 1,-0.2 3,-0.6 0.756 88.8 78.9 -63.6 -24.9 -0.8 -13.4 -12.2 24 29 A D H 3> S+ 0 0 85 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.878 86.4 54.0 -54.4 -47.0 -2.2 -11.8 -15.4 25 30 A R H <> S+ 0 0 123 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.863 108.9 50.5 -58.1 -37.8 -0.2 -8.6 -15.1 26 31 A R H < S+ 0 0 70 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.906 115.5 45.8 -61.6 -44.1 3.8 -11.3 -23.6 32 37 A S H 3< S+ 0 0 46 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 97.8 71.9 -69.8 -33.2 3.7 -7.5 -24.4 33 38 A G H >< S+ 0 0 44 -4,-2.1 3,-1.6 -5,-0.2 2,-1.4 0.730 71.4 99.1 -57.9 -23.7 7.5 -7.2 -24.2 34 39 A K T << S- 0 0 190 -3,-0.8 -1,-0.1 -4,-0.6 3,-0.1 -0.516 110.7 -9.3 -66.6 92.0 7.8 -9.1 -27.5 35 40 A G T 3 S+ 0 0 84 -2,-1.4 -1,-0.3 1,-0.3 2,-0.3 0.812 119.6 98.8 86.8 32.4 8.2 -6.2 -29.8 36 41 A A < - 0 0 53 -3,-1.6 -1,-0.3 0, 0.0 2,-0.3 -0.943 62.9-121.1-144.2 167.1 7.5 -3.4 -27.3 37 42 A K - 0 0 169 -2,-0.3 -3,-0.0 2,-0.2 -5,-0.0 -0.723 25.5-114.5-112.3 160.2 9.3 -0.9 -25.0 38 43 A Y S S+ 0 0 216 -2,-0.3 2,-0.3 -5,-0.0 -1,-0.1 0.805 84.1 105.7 -58.0 -34.1 9.3 -0.3 -21.3 39 44 A T + 0 0 113 2,-0.0 2,-0.2 1,-0.0 -2,-0.2 -0.328 39.5 133.8 -61.3 111.6 7.8 3.2 -21.7 40 45 A R + 0 0 199 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.805 31.3 68.4-161.0 118.1 4.1 3.1 -20.7 41 46 A G - 0 0 74 -2,-0.2 -2,-0.0 1,-0.0 0, 0.0 -0.847 27.7-177.4 155.9 170.1 2.2 5.5 -18.5 42 47 A R - 0 0 238 -2,-0.2 -1,-0.0 3,-0.1 -2,-0.0 0.273 43.2-177.8-158.6 -47.9 0.8 9.0 -18.2 43 48 A G S S- 0 0 23 1,-0.1 -33,-0.1 2,-0.0 -1,-0.1 -0.892 70.8-172.1 139.6-172.7 -0.8 9.7 -14.8 44 49 A P S S+ 0 0 74 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.918 85.1 87.9 -93.1 19.2 -2.2 10.9 -12.6 45 50 A F - 0 0 125 -35,-0.1 2,-0.7 -37,-0.1 -35,-0.2 -0.638 61.3-161.5 -79.0 107.0 -1.2 8.0 -10.4 46 51 A R E -A 9 0A 103 -37,-2.3 -37,-3.6 -2,-0.8 2,-0.5 -0.815 13.4-137.6 -92.9 114.1 2.1 8.7 -8.9 47 52 A L E +A 8 0A 96 -2,-0.7 -39,-0.2 -39,-0.2 3,-0.1 -0.591 26.1 174.6 -72.2 116.3 3.8 5.5 -7.6 48 53 A V E - 0 0 13 -41,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.884 63.2 -34.1 -86.5 -47.7 5.4 6.3 -4.3 49 54 A A E -A 7 0A 10 -42,-0.8 -42,-1.5 2,-0.0 -1,-0.4 -0.968 50.0-133.0-164.1 171.5 6.5 2.8 -3.5 50 55 A T E -A 6 0A 67 -2,-0.3 2,-0.6 -44,-0.2 -44,-0.2 -0.989 10.5-160.7-140.5 128.0 5.6 -0.9 -3.8 51 56 A W E -A 5 0A 41 -46,-2.6 -46,-3.6 -2,-0.4 2,-0.5 -0.935 7.5-165.2-114.0 115.0 5.7 -3.6 -1.2 52 57 A A E -A 4 0A 62 -2,-0.6 -48,-0.2 -48,-0.2 -2,-0.0 -0.864 6.2-175.4-102.3 126.0 5.8 -7.2 -2.3 53 58 A F E -A 3 0A 43 -50,-2.3 -50,-0.6 -2,-0.5 6,-0.1 -0.972 21.8-166.1-125.4 120.5 5.0 -9.9 0.2 54 59 A P S S+ 0 0 129 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.574 73.6 88.9 -72.7 -9.3 5.3 -13.7 -0.5 55 60 A S > - 0 0 50 1,-0.1 4,-1.3 -52,-0.1 5,-0.1 -0.748 70.0-148.5 -97.6 136.0 3.3 -14.2 2.7 56 61 A K H > S+ 0 0 147 -2,-0.4 4,-2.0 2,-0.2 3,-0.3 0.973 97.4 41.8 -61.4 -58.0 -0.5 -14.3 2.7 57 62 A E H > S+ 0 0 113 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.864 110.6 56.8 -64.9 -38.2 -1.1 -12.8 6.2 58 63 A E H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 108.6 47.9 -62.3 -37.6 1.6 -10.1 5.8 59 64 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.928 115.3 44.5 -67.0 -44.9 -0.1 -8.8 2.7 60 65 A M H X S+ 0 0 97 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.901 116.9 44.6 -67.4 -42.8 -3.6 -8.8 4.4 61 66 A R H X S+ 0 0 138 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.846 110.7 54.2 -73.6 -34.1 -2.3 -7.2 7.6 62 67 A W H X S+ 0 0 43 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.968 113.0 42.4 -63.6 -53.6 -0.2 -4.6 5.9 63 68 A E H X S+ 0 0 40 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.954 116.0 49.9 -51.1 -55.3 -3.1 -3.4 3.8 64 69 A Y H X S+ 0 0 136 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.838 111.8 47.8 -56.4 -39.3 -5.4 -3.6 6.8 65 70 A E H X S+ 0 0 80 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.858 109.2 51.0 -76.0 -36.2 -3.0 -1.6 9.0 66 71 A V H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 111.8 49.3 -70.7 -27.9 -2.3 1.2 6.5 67 72 A K H < S+ 0 0 172 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.767 114.0 49.2 -71.7 -28.1 -6.1 1.4 6.3 68 73 A H H < S+ 0 0 110 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.901 95.7 81.0 -77.4 -46.7 -6.0 1.5 10.1 69 74 A L S < S- 0 0 22 -4,-2.9 2,-0.0 1,-0.1 0, 0.0 -0.254 78.4-118.5 -71.5 150.6 -3.3 4.2 10.7 70 75 A S > - 0 0 62 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.146 36.3 -90.9 -76.9 178.6 -4.0 7.9 10.5 71 76 A R H > S+ 0 0 186 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 124.0 57.4 -59.2 -42.4 -2.5 10.4 8.1 72 77 A R H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 113.0 38.9 -58.5 -42.4 0.4 11.2 10.5 73 78 A K H > S+ 0 0 114 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.799 110.7 60.2 -79.0 -28.4 1.5 7.6 10.6 74 79 A K H X S+ 0 0 30 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.889 107.2 46.7 -63.0 -39.9 0.7 7.2 6.9 75 80 A E H X S+ 0 0 75 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.912 110.2 52.7 -64.7 -44.6 3.3 9.9 6.3 76 81 A Q H X S+ 0 0 102 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.858 103.0 59.1 -60.9 -36.5 5.7 8.2 8.7 77 82 A L H X S+ 0 0 28 -4,-2.3 4,-1.2 1,-0.2 3,-0.4 0.920 110.2 41.1 -58.7 -45.5 5.3 4.9 6.8 78 83 A V H <>S+ 0 0 12 -4,-1.3 5,-0.7 1,-0.2 -1,-0.2 0.793 108.2 62.1 -73.4 -27.7 6.6 6.6 3.6 79 84 A S H <5S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.746 102.3 52.3 -69.0 -23.1 9.2 8.4 5.7 80 85 A L H <5S- 0 0 143 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.2 0.868 135.6 -7.6 -76.9 -39.0 10.6 4.9 6.5 81 86 A K T <5S+ 0 0 86 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.848 118.6 56.9-163.2 119.6 10.8 4.0 2.8 82 87 A G T 5 + 0 0 3 -2,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.199 64.2 160.2 138.7 -15.8 9.4 5.9 -0.1 83 88 A G >>< - 0 0 19 -5,-0.7 3,-1.6 1,-0.1 4,-0.6 0.127 57.5-102.4 -26.0 146.8 11.3 9.2 0.4 84 89 A P H >> S+ 0 0 107 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.757 123.4 57.6 -55.0 -27.8 11.7 11.5 -2.6 85 90 A Y H >4 S+ 0 0 211 1,-0.2 3,-0.5 2,-0.2 -2,-0.1 0.836 101.7 54.7 -71.8 -31.6 15.3 10.3 -3.1 86 91 A E H <4 S+ 0 0 83 -3,-1.6 -1,-0.2 1,-0.2 -3,-0.1 0.553 92.8 73.6 -79.1 -8.2 14.1 6.7 -3.4 87 92 A N H << S- 0 0 28 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.898 71.8-174.6 -69.9 -40.3 11.8 7.9 -6.2 88 93 A T << + 0 0 117 -4,-0.6 -3,-0.1 -3,-0.5 -2,-0.1 0.796 29.6 143.1 47.9 36.2 14.8 8.2 -8.5 89 94 A T - 0 0 110 -5,-0.3 -1,-0.1 1,-0.0 -4,-0.0 0.998 67.6 -90.3 -68.2 -69.1 12.4 9.7 -11.1 90 95 A K > + 0 0 155 4,-0.0 3,-2.4 0, 0.0 2,-1.6 0.002 54.3 163.0-170.7 -66.0 14.5 12.4 -12.8 91 96 A L T 3 S- 0 0 136 1,-0.3 3,-0.0 0, 0.0 0, 0.0 -0.452 85.8 -45.1 61.8 -86.8 14.3 15.9 -11.3 92 97 A S T 3 S+ 0 0 109 -2,-1.6 2,-0.4 2,-0.1 -1,-0.3 0.196 103.3 121.1-157.5 12.5 17.4 17.3 -12.9 93 98 A T < 0 0 112 -3,-2.4 0, 0.0 1,-0.0 0, 0.0 -0.696 360.0 360.0 -92.9 132.9 20.0 14.6 -12.4 94 99 A T 0 0 185 -2,-0.4 -2,-0.1 -3,-0.0 -4,-0.0 -0.528 360.0 360.0-101.1 360.0 21.7 13.0 -15.4