==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 02-FEB-10 3LNO . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 639 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 5 0 0 0 0 6 0 0 0 1 3 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 6 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 6 0 0 6 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 . 6 6 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 N > 0 0 122 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.4 13.4 6.0 48.9 2 0 A A H > + 0 0 71 2,-0.2 4,-1.2 1,-0.2 5,-0.0 0.789 360.0 47.5 -65.2 -29.4 11.5 5.0 52.1 3 1 A X H > S+ 0 0 147 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.850 109.7 51.4 -79.2 -36.7 12.7 8.3 53.6 4 2 A S H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 111.1 49.0 -60.0 -43.9 11.7 10.3 50.6 5 3 A Q H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.882 108.7 54.2 -62.8 -37.2 8.3 8.7 50.8 6 4 A E H X S+ 0 0 60 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.858 108.0 48.3 -66.3 -35.8 8.2 9.5 54.5 7 5 A A H X S+ 0 0 64 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.864 111.5 50.1 -74.3 -34.0 8.9 13.2 53.8 8 6 A F H X S+ 0 0 19 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.912 109.6 51.6 -68.4 -41.9 6.2 13.3 51.1 9 7 A E H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.880 109.1 50.4 -59.8 -39.6 3.7 11.7 53.5 10 8 A N H X S+ 0 0 65 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.926 110.3 49.3 -67.8 -43.0 4.5 14.3 56.1 11 9 A K H X S+ 0 0 90 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.937 111.6 49.3 -61.1 -44.1 4.0 17.1 53.5 12 10 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.916 110.5 50.7 -60.2 -42.7 0.6 15.6 52.5 13 11 A Y H >< S+ 0 0 5 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.918 107.7 52.3 -65.7 -41.3 -0.5 15.3 56.2 14 12 A A H >< S+ 0 0 32 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.871 105.5 55.6 -62.1 -36.2 0.4 18.9 56.9 15 13 A N H >< S+ 0 0 32 -4,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.748 90.2 74.0 -71.8 -19.0 -1.7 20.1 54.0 16 14 A L G X< S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.8 12,-0.5 0.608 75.1 82.3 -69.7 -8.5 -4.7 18.2 55.4 17 15 A E G < S+ 0 0 40 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.649 81.4 64.5 -66.8 -12.8 -4.9 21.0 58.0 18 16 A A G < S+ 0 0 20 -3,-1.8 2,-0.6 -4,-0.1 -1,-0.3 0.370 83.2 89.0 -89.4 2.7 -6.7 23.0 55.3 19 17 A V < - 0 0 0 -3,-1.8 9,-2.3 2,-0.0 2,-0.4 -0.912 67.1-160.9-102.9 115.5 -9.6 20.5 55.3 20 18 A I E -A 27 0A 4 -2,-0.6 7,-0.3 7,-0.3 3,-0.1 -0.756 22.8-132.4 -99.6 138.0 -12.2 21.5 57.9 21 19 A D E >>> -A 26 0A 1 5,-2.8 4,-2.2 -2,-0.4 3,-1.0 -0.800 25.4-152.1 -78.0 109.7 -15.0 19.5 59.6 22 20 A P T 345S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.841 88.4 55.5 -59.2 -36.5 -17.8 22.0 59.0 23 21 A E T 345S+ 0 0 94 1,-0.2 289,-0.1 -3,-0.1 -2,-0.0 0.824 120.7 29.0 -66.0 -30.9 -19.8 20.9 62.0 24 22 A L T <45S- 0 0 60 -3,-1.0 -1,-0.2 2,-0.2 288,-0.2 0.615 94.1-132.7-104.8 -13.0 -16.9 21.5 64.5 25 23 A G T <5S+ 0 0 4 -4,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.780 70.9 113.8 65.1 27.6 -15.0 24.2 62.7 26 24 A V E -A 20 0A 8 -2,-0.3 4,-2.1 -7,-0.3 -7,-0.3 -0.334 28.6-115.5 -73.4 158.3 -9.5 20.7 60.7 28 26 A I H >>S+ 0 0 0 -9,-2.3 5,-2.2 -12,-0.5 6,-0.8 0.754 113.2 55.4 -68.6 -27.4 -9.4 16.9 60.3 29 27 A V H >45S+ 0 0 0 -13,-0.4 3,-1.5 -10,-0.3 -1,-0.2 0.977 110.5 43.4 -65.0 -56.6 -5.8 16.7 61.4 30 28 A N H 345S+ 0 0 24 1,-0.3 66,-2.6 2,-0.1 69,-0.2 0.812 110.1 58.7 -63.2 -25.9 -6.4 18.5 64.7 31 29 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 64,-0.2 -2,-0.2 0.728 111.2-121.5 -71.5 -19.7 -9.6 16.5 65.2 32 30 A G T <<5S+ 0 0 8 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.702 74.2 128.4 84.7 19.1 -7.6 13.2 65.1 33 31 A L < + 0 0 0 -5,-2.2 17,-2.1 -6,-0.2 2,-0.7 0.712 47.4 84.3 -80.0 -21.1 -9.6 11.9 62.1 34 32 A V E +B 49 0B 11 -6,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.763 48.9 171.8 -91.0 112.4 -6.6 11.1 60.0 35 33 A Y E + 0 0 42 13,-2.1 2,-0.3 -2,-0.7 14,-0.2 0.758 62.2 1.0 -89.3 -31.4 -5.2 7.6 60.8 36 34 A D E -B 48 0B 43 12,-1.8 12,-2.8 2,-0.0 2,-0.4 -0.962 46.5-168.5-160.7 138.7 -2.6 7.0 58.1 37 35 A V E +B 47 0B 0 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.989 19.7 173.4-126.0 124.9 -1.1 8.6 55.1 38 36 A T E -B 46 0B 43 8,-2.2 8,-2.6 -2,-0.4 2,-0.4 -0.986 9.6-170.1-130.1 147.0 1.0 6.5 52.8 39 37 A A E -B 45 0B 5 -2,-0.4 6,-0.2 6,-0.2 -30,-0.1 -0.991 12.5-141.8-133.9 139.9 2.6 7.3 49.5 40 38 A D > - 0 0 62 4,-2.2 3,-1.9 -2,-0.4 6,-0.0 -0.216 41.8 -84.4 -92.1-173.4 4.4 5.0 47.0 41 39 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.617 129.2 52.4 -70.4 -12.1 7.4 5.6 44.9 42 40 A N T 3 S- 0 0 89 2,-0.1 -1,-0.3 129,-0.0 37,-0.2 0.125 119.2-106.1-106.6 16.8 5.2 7.2 42.3 43 41 A N < + 0 0 48 -3,-1.9 35,-2.9 1,-0.3 2,-0.5 0.689 68.0 150.7 66.7 19.3 3.6 9.7 44.6 44 42 A N - 0 0 9 34,-0.2 -4,-2.2 33,-0.2 2,-0.4 -0.761 33.3-152.4 -78.1 127.6 0.3 7.8 44.6 45 43 A A E -Bc 39 80B 1 34,-3.6 36,-2.9 -2,-0.5 2,-0.5 -0.826 20.5-164.6-116.6 140.6 -1.3 8.5 48.0 46 44 A V E -Bc 38 81B 38 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.6 -0.983 9.4-167.4-120.8 114.0 -3.7 6.6 50.3 47 45 A I E -Bc 37 82B 0 34,-3.3 36,-2.9 -2,-0.5 2,-0.5 -0.923 3.7-164.0-101.9 120.8 -5.3 8.6 53.1 48 46 A T E +Bc 36 83B 28 -12,-2.8 -13,-2.1 -2,-0.6 -12,-1.8 -0.907 25.4 149.2-106.5 122.9 -7.0 6.5 55.7 49 47 A X E -Bc 34 84B 0 34,-2.4 36,-3.2 -2,-0.5 -15,-0.2 -0.905 31.2-146.7-145.4 169.7 -9.4 8.4 57.9 50 48 A T - 0 0 1 -17,-2.1 2,-0.3 -2,-0.3 36,-0.1 -0.669 20.2-119.7-125.4-175.6 -12.6 8.1 59.9 51 49 A X - 0 0 3 34,-0.3 39,-0.4 -2,-0.2 3,-0.1 -0.777 32.3-103.3-119.2 172.0 -15.5 10.5 60.8 52 50 A T S S+ 0 0 35 -2,-0.3 2,-0.3 1,-0.2 40,-0.1 0.772 103.8 1.0 -66.0 -23.2 -16.7 11.7 64.1 53 51 A S > - 0 0 59 1,-0.1 3,-0.9 38,-0.0 -1,-0.2 -0.969 69.9-115.7-160.9 146.5 -19.7 9.3 63.9 54 52 A I T 3 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.863 119.3 55.7 -52.5 -35.8 -21.0 6.7 61.5 55 53 A G T 3 S+ 0 0 67 -3,-0.1 -1,-0.3 -4,-0.0 4,-0.1 0.833 75.7 137.2 -64.6 -33.1 -24.0 9.0 61.1 56 54 A C X - 0 0 8 -3,-0.9 3,-0.9 1,-0.1 -5,-0.0 0.240 39.0-162.9 -31.3 115.0 -21.9 12.0 60.1 57 55 A P T > S+ 0 0 101 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.693 81.6 64.7 -78.6 -22.5 -23.6 13.8 57.1 58 56 A X T 3> + 0 0 63 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.368 69.6 105.2 -83.1 5.7 -20.5 15.8 56.0 59 57 A A H <> S+ 0 0 28 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.885 79.0 48.5 -57.6 -42.1 -18.6 12.6 55.1 60 58 A G H <> S+ 0 0 55 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.927 113.6 46.5 -64.7 -43.9 -19.0 13.1 51.3 61 59 A Q H > S+ 0 0 80 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.854 109.8 54.2 -66.7 -35.2 -18.0 16.7 51.4 62 60 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.967 108.6 48.6 -65.8 -47.4 -14.9 16.0 53.6 63 61 A V H X S+ 0 0 31 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.904 112.3 46.1 -59.2 -48.3 -13.6 13.3 51.2 64 62 A S H X S+ 0 0 51 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.882 110.8 55.7 -63.7 -33.4 -13.9 15.5 48.1 65 63 A D H X S+ 0 0 26 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.908 104.1 53.8 -63.4 -39.4 -12.3 18.3 50.1 66 64 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.956 111.2 45.5 -56.7 -49.0 -9.4 16.0 50.8 67 65 A K H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.934 115.4 45.8 -64.8 -44.2 -8.9 15.4 47.0 68 66 A K H X S+ 0 0 135 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.940 114.3 47.9 -61.7 -46.1 -9.3 19.0 46.1 69 67 A V H X S+ 0 0 14 -4,-3.0 4,-3.3 -5,-0.2 5,-0.4 0.961 116.7 41.2 -65.5 -47.1 -7.0 20.3 48.8 70 68 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 7,-0.3 0.940 116.5 47.6 -68.9 -42.2 -4.2 17.8 48.1 71 69 A S H < S+ 0 0 23 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.886 120.7 39.3 -67.0 -35.2 -4.4 18.0 44.3 72 70 A T H < S+ 0 0 91 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.934 124.9 34.3 -77.0 -46.6 -4.4 21.7 44.5 73 71 A N H < S+ 0 0 66 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.755 127.6 35.5 -88.0 -22.2 -1.9 22.3 47.2 74 72 A V >< + 0 0 0 -4,-2.6 3,-2.7 -5,-0.4 -1,-0.3 -0.596 69.8 173.4-128.8 69.7 0.5 19.4 46.6 75 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 71.2 68.5 -57.0 -22.6 0.4 19.2 42.7 76 74 A E T 3 S+ 0 0 73 -3,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.530 76.7 104.1 -77.7 -3.8 3.1 16.6 42.6 77 75 A V < - 0 0 0 -3,-2.7 -33,-0.2 -7,-0.3 3,-0.1 -0.515 51.9-171.5 -70.2 144.8 0.8 14.1 44.2 78 76 A N + 0 0 35 -35,-2.9 -34,-0.2 1,-0.4 -1,-0.1 0.560 59.4 21.2-101.6-101.6 -0.6 11.5 41.7 79 77 A E - 0 0 11 -37,-0.2 -34,-3.6 99,-0.1 2,-0.5 -0.397 64.4-162.5 -67.5 140.1 -3.3 9.2 42.8 80 78 A I E +c 45 0B 0 94,-0.4 2,-0.5 95,-0.2 -34,-0.2 -0.917 11.0 177.2-122.4 111.3 -5.4 10.2 45.8 81 79 A E E -c 46 0B 37 -36,-2.9 -34,-3.3 -2,-0.5 2,-0.6 -0.917 11.3-163.0-108.0 134.6 -7.3 7.5 47.5 82 80 A V E -c 47 0B 16 -2,-0.5 2,-0.7 -36,-0.2 -34,-0.2 -0.955 4.6-168.8-116.3 114.0 -9.4 8.2 50.6 83 81 A N E -c 48 0B 67 -36,-2.9 -34,-2.4 -2,-0.6 2,-0.6 -0.914 8.1-155.3-104.7 118.1 -10.4 5.2 52.6 84 82 A V E -c 49 0B 52 -2,-0.7 -34,-0.2 -36,-0.2 2,-0.2 -0.802 19.9-179.8 -92.2 119.3 -12.9 5.9 55.3 85 83 A V - 0 0 46 -36,-3.2 -34,-0.3 -2,-0.6 -2,-0.0 -0.710 30.2-155.9-118.8 169.0 -12.8 3.3 58.1 86 84 A W + 0 0 97 -2,-0.2 -36,-0.1 1,-0.1 -32,-0.1 0.270 57.4 114.5-125.3 4.9 -14.7 2.8 61.3 87 85 A N S S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.1 254,-0.0 -0.990 76.0 23.9-137.4 126.5 -12.1 0.8 63.3 88 86 A P S S- 0 0 13 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.607 105.2-123.0 -68.9 159.9 -10.7 1.8 65.7 89 87 A P - 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0 0 3 -66,-2.9 4,-2.4 -2,-0.1 5,-0.2 -0.149 33.2-101.1 -64.8 165.7 9.4 36.2 21.2 634 95 F R H > S+ 0 0 168 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.930 125.1 48.1 -49.4 -52.0 8.9 38.1 24.5 635 96 F X H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.867 109.4 52.0 -65.6 -33.6 12.5 39.5 24.2 636 97 F A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.918 110.7 48.4 -70.1 -39.5 12.0 40.6 20.5 637 98 F K H X S+ 0 0 60 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.878 113.8 46.9 -63.5 -40.4 8.8 42.5 21.4 638 99 F I H X S+ 0 0 94 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.945 115.3 46.0 -64.3 -46.8 10.5 44.2 24.3 639 100 F A H >X S+ 0 0 26 -4,-2.8 4,-2.8 1,-0.2 3,-1.2 0.918 111.3 50.5 -63.8 -44.7 13.6 45.0 22.2 640 101 F L H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.4 62.8 -71.3 -22.0 11.5 46.3 19.2 641 102 F G H 3< S+ 0 0 59 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.799 118.2 26.2 -65.3 -27.7 9.6 48.5 21.6 642 103 F I H << S+ 0 0 142 -3,-1.2 2,-1.2 -4,-0.7 -2,-0.2 0.725 110.9 68.1-108.8 -30.0 12.7 50.4 22.5 643 104 F R < 0 0 142 -4,-2.8 -1,-0.2 -5,-0.2 -4,-0.0 -0.669 360.0 360.0 -99.4 78.9 14.9 50.0 19.4 644 105 F D 0 0 179 -2,-1.2 -1,-0.1 -3,-0.1 -4,-0.0 -0.475 360.0 360.0 65.4 360.0 13.1 52.0 16.8