==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 29-MAY-13 2M8W . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR B.MAO,R.T.TEJERO,J.M.ARAMINI,D.A.SNYDER,G.T.MONTELIONE,NORTH . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 62.6 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 . 24 26.4 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 . 1 1.1 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 . 7 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 19.8 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+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 1 0 0 0 0 0 0 0 1 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 15 0, 0.0 2,-0.4 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 110.0 -10.9 1.5 3.0 2 2 A K - 0 0 86 19,-0.2 18,-2.8 83,-0.1 19,-0.4 -0.864 360.0-123.9-105.4 133.8 -10.4 4.8 4.8 3 3 A I E +A 19 0A 36 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.541 26.2 176.4 -76.5 133.2 -7.0 5.8 6.2 4 4 A I E S- 0 0 109 14,-3.2 2,-0.3 1,-0.4 15,-0.2 0.801 70.6 -30.0 -93.4 -48.8 -6.6 6.6 9.9 5 5 A S E -A 18 0A 63 13,-1.2 13,-2.8 2,-0.0 2,-0.5 -0.968 49.9-131.5-165.0 155.2 -2.8 7.1 9.8 6 6 A I E -A 17 0A 43 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.959 30.5-179.9-116.3 120.4 0.4 6.0 8.0 7 7 A S E -A 16 0A 47 9,-2.6 9,-2.6 -2,-0.5 2,-0.1 -0.640 25.4-106.3-114.6 169.6 3.3 4.9 10.1 8 8 A E - 0 0 158 -2,-0.2 7,-0.1 7,-0.2 4,-0.1 -0.419 28.9-145.4 -90.0 169.3 6.9 3.7 9.5 9 9 A T - 0 0 34 5,-0.5 5,-0.1 2,-0.2 -1,-0.0 -0.869 33.1 -99.4-132.4 165.6 8.2 0.1 10.0 10 10 A P S S+ 0 0 148 0, 0.0 2,-0.7 0, 0.0 -1,-0.0 0.811 119.1 58.4 -54.0 -31.3 11.4 -1.6 11.0 11 11 A N S > S- 0 0 76 1,-0.1 3,-2.0 3,-0.1 -2,-0.2 -0.902 76.4-160.6-102.4 110.1 12.0 -2.0 7.3 12 12 A H T 3 S+ 0 0 135 -2,-0.7 -1,-0.1 1,-0.3 0, 0.0 0.618 82.9 75.8 -69.5 -11.9 12.0 1.4 5.7 13 13 A N T 3 S+ 0 0 30 51,-0.1 52,-2.7 1,-0.0 2,-0.3 0.608 100.1 46.2 -75.2 -11.5 11.4 -0.0 2.3 14 14 A T E < S- B 0 64A 12 -3,-2.0 -5,-0.5 50,-0.3 2,-0.3 -0.980 72.7-148.7-133.0 146.4 7.7 -0.6 3.3 15 15 A M E - B 0 63A 18 48,-2.4 48,-2.3 -2,-0.3 2,-0.6 -0.817 14.8-128.0-113.3 154.1 5.2 1.6 5.1 16 16 A K E -AB 7 62A 79 -9,-2.6 -9,-2.6 -2,-0.3 2,-0.7 -0.892 18.3-163.2-106.2 120.1 2.3 0.7 7.4 17 17 A I E -AB 6 61A 0 44,-3.1 44,-2.3 -2,-0.6 2,-0.5 -0.889 6.2-153.9-106.9 112.4 -1.2 2.0 6.6 18 18 A T E -AB 5 60A 38 -13,-2.8 -14,-3.2 -2,-0.7 -13,-1.2 -0.736 18.0-166.3 -86.9 124.6 -3.7 1.8 9.4 19 19 A L E -A 3 0A 1 40,-2.4 -16,-0.2 -2,-0.5 3,-0.1 -0.801 29.6-160.7-113.5 149.7 -7.3 1.7 8.1 20 20 A S S S+ 0 0 83 -18,-2.8 2,-0.4 -2,-0.3 -1,-0.2 0.875 94.6 37.5 -85.0 -54.9 -10.7 2.1 9.7 21 21 A E S S- 0 0 107 -19,-0.4 -1,-0.3 1,-0.0 -19,-0.2 -0.837 82.1-179.0 -91.3 136.8 -12.5 0.2 6.9 22 22 A S - 0 0 10 -2,-0.4 37,-0.1 1,-0.3 4,-0.1 -0.392 36.9 -46.7-117.9-164.9 -10.6 -2.8 5.5 23 23 A R - 0 0 40 35,-0.3 -1,-0.3 2,-0.2 4,-0.0 -0.256 61.7 -99.8 -63.4 154.6 -11.0 -5.4 2.8 24 24 A E S S+ 0 0 200 1,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.882 122.5 33.6 -41.3 -46.4 -14.3 -7.2 2.5 25 25 A G S S- 0 0 30 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 -0.977 77.4-152.1-112.1 129.5 -12.5 -10.0 4.4 26 26 A M + 0 0 97 -2,-0.5 32,-1.8 -4,-0.1 34,-0.1 0.199 57.8 122.0 -87.0 16.9 -9.9 -8.8 7.0 27 27 A T S S- 0 0 93 30,-0.2 -4,-0.1 1,-0.1 -2,-0.1 -0.294 72.4 -87.9 -70.0 164.1 -7.9 -12.0 6.5 28 28 A S + 0 0 75 29,-0.2 2,-0.3 27,-0.0 29,-0.3 -0.387 54.5 157.4 -76.5 152.2 -4.3 -11.9 5.4 29 29 A D E -C 56 0A 58 27,-2.6 27,-2.8 -2,-0.1 2,-0.4 -0.976 30.8-133.9-167.2 160.0 -3.3 -11.9 1.8 30 30 A T E -C 55 0A 85 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.987 16.5-175.0-127.1 130.0 -0.5 -10.9 -0.6 31 31 A Y E +C 54 0A 26 23,-2.8 23,-2.7 -2,-0.4 3,-0.1 -0.987 20.5 151.8-125.5 129.6 -0.8 -9.0 -3.9 32 32 A T + 0 0 84 -2,-0.4 2,-0.3 21,-0.2 -1,-0.1 0.569 64.1 54.9-122.7 -25.3 2.0 -8.3 -6.3 33 33 A K S S- 0 0 160 20,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.844 84.4-108.0-117.4 150.4 0.2 -8.1 -9.7 34 34 A V + 0 0 66 -2,-0.3 2,-0.3 12,-0.1 9,-0.1 -0.608 55.9 138.2 -76.2 129.5 -2.7 -6.0 -10.9 35 35 A D > - 0 0 92 -2,-0.4 3,-1.2 4,-0.1 8,-0.1 -0.975 64.6 -99.4-164.0 170.7 -5.9 -7.9 -11.4 36 36 A D T 3 S+ 0 0 150 -2,-0.3 4,-0.1 1,-0.3 7,-0.1 0.702 112.0 69.4 -72.6 -19.5 -9.6 -7.8 -10.9 37 37 A S T 3 S+ 0 0 84 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.652 89.4 78.9 -76.3 -15.2 -9.4 -9.9 -7.7 38 38 A Q S < S- 0 0 18 -3,-1.2 5,-0.1 1,-0.1 -4,-0.0 -0.627 95.7 -93.6 -89.3 150.8 -7.7 -7.0 -5.9 39 39 A P > - 0 0 33 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.271 36.5-114.3 -49.9 144.6 -9.5 -4.0 -4.5 40 40 A A H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 120.0 53.5 -48.1 -46.6 -9.6 -1.0 -6.9 41 41 A F H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 107.0 50.3 -54.9 -47.4 -7.4 0.8 -4.4 42 42 A I H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 109.9 50.6 -64.8 -36.3 -4.8 -2.0 -4.4 43 43 A N H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.936 111.0 47.9 -65.2 -48.6 -4.7 -2.1 -8.2 44 44 A D H X S+ 0 0 60 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.923 111.8 50.2 -56.7 -47.1 -4.2 1.7 -8.4 45 45 A I H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 6,-0.3 0.906 108.9 51.5 -61.0 -43.9 -1.4 1.5 -5.8 46 46 A L H < S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 107.8 53.5 -57.6 -37.4 0.3 -1.3 -7.7 47 47 A K H < S+ 0 0 147 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.739 85.0 104.7 -73.4 -23.3 0.1 0.8 -10.8 48 48 A V S >< S- 0 0 21 -4,-1.2 3,-1.7 -3,-0.5 2,-0.1 -0.429 87.3-106.1 -59.8 124.0 1.9 3.6 -8.9 49 49 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.306 103.0 25.0 -57.6 125.1 5.5 3.8 -10.1 50 50 A G T 3 S+ 0 0 16 1,-0.3 16,-2.6 -4,-0.1 2,-0.3 -0.090 84.5 124.5 115.3 -32.3 7.8 2.4 -7.5 51 51 A V E < + D 0 65A 15 -3,-1.7 -1,-0.3 -6,-0.3 14,-0.3 -0.448 30.6 175.4 -68.0 125.0 5.4 0.1 -5.7 52 52 A K E - 0 0 126 12,-2.2 2,-0.3 1,-0.3 13,-0.2 0.908 56.9 -9.9 -96.7 -56.8 6.8 -3.4 -5.6 53 53 A S E - D 0 64A 33 11,-2.2 11,-2.6 2,-0.0 2,-0.4 -0.984 53.6-144.8-148.5 154.1 4.5 -5.5 -3.5 54 54 A I E -CD 31 63A 0 -23,-2.7 -23,-2.8 -2,-0.3 2,-0.5 -0.983 7.7-166.2-126.8 131.9 1.5 -5.2 -1.1 55 55 A F E -CD 30 62A 79 7,-2.6 7,-3.0 -2,-0.4 2,-0.4 -0.969 7.8-165.3-115.9 130.0 0.6 -7.2 1.9 56 56 A H E +CD 29 61A 6 -27,-2.8 -27,-2.6 -2,-0.5 2,-0.3 -0.912 16.1 156.4-113.9 140.1 -2.9 -7.0 3.6 57 57 A V E > - D 0 60A 32 3,-1.8 3,-2.2 -2,-0.4 2,-0.4 -0.937 59.2 -34.9-159.6 139.9 -3.9 -8.2 7.0 58 58 A M T 3 S- 0 0 109 -32,-1.8 -35,-0.3 -2,-0.3 3,-0.0 -0.292 121.5 -27.3 55.0-106.4 -6.6 -7.5 9.5 59 59 A D T 3 S+ 0 0 56 -2,-0.4 -40,-2.4 -37,-0.1 2,-0.3 -0.080 122.2 68.0-136.3 33.3 -7.2 -3.7 9.1 60 60 A F E < -BD 18 57A 49 -3,-2.2 -3,-1.8 -42,-0.2 2,-0.4 -0.990 63.1-139.5-150.5 156.5 -3.9 -2.4 7.9 61 61 A I E -BD 17 56A 0 -44,-2.3 -44,-3.1 -2,-0.3 2,-0.7 -0.950 3.8-149.1-123.5 134.0 -1.7 -2.6 4.8 62 62 A S E -BD 16 55A 32 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.6 -0.890 17.5-166.4-101.4 111.3 2.0 -3.0 4.4 63 63 A V E -BD 15 54A 1 -48,-2.3 -48,-2.4 -2,-0.7 2,-0.4 -0.863 3.5-169.4-105.5 115.2 3.2 -1.3 1.2 64 64 A D E -BD 14 53A 38 -11,-2.6 -11,-2.2 -2,-0.6 -12,-2.2 -0.876 3.9-171.2-110.4 133.0 6.7 -2.2 -0.0 65 65 A K E - D 0 51A 11 -52,-2.7 -14,-0.2 -2,-0.4 6,-0.1 -0.694 30.8 -83.6-119.5 169.8 8.5 -0.3 -2.8 66 66 A E - 0 0 101 -16,-2.6 3,-0.1 -2,-0.2 -1,-0.1 -0.329 37.7-114.2 -75.7 155.0 11.7 -0.8 -4.8 67 67 A N S S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.857 117.4 49.5 -57.7 -38.4 15.0 0.5 -3.4 68 68 A D S S+ 0 0 140 2,-0.1 -1,-0.2 -18,-0.1 -3,-0.0 0.894 96.0 86.8 -67.3 -41.1 15.3 3.0 -6.2 69 69 A A S S- 0 0 19 -19,-0.2 2,-0.4 -3,-0.1 -19,-0.1 -0.236 70.8-143.1 -61.8 148.0 11.8 4.4 -5.6 70 70 A N >> - 0 0 104 1,-0.1 4,-2.3 0, 0.0 3,-0.8 -0.900 14.8-137.1-116.2 146.3 11.3 7.1 -3.0 71 71 A W H 3> S+ 0 0 40 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.756 99.6 75.3 -70.1 -24.8 8.4 7.6 -0.6 72 72 A E H 34 S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.875 112.7 24.3 -53.0 -39.9 8.5 11.3 -1.3 73 73 A T H <> S+ 0 0 81 -3,-0.8 4,-0.9 2,-0.1 -2,-0.2 0.894 128.6 43.7 -86.6 -50.4 6.8 10.4 -4.7 74 74 A V H >X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.6 0.925 106.2 53.6 -68.9 -50.7 5.1 7.1 -3.9 75 75 A L H 3X S+ 0 0 32 -4,-1.5 4,-3.0 1,-0.3 5,-0.3 0.876 103.1 55.1 -64.6 -45.6 3.5 7.5 -0.5 76 76 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.888 111.7 47.2 -49.8 -42.9 1.5 10.7 -1.3 77 77 A K H < S+ 0 0 9 -4,-1.9 3,-0.6 1,-0.3 4,-0.4 0.917 105.0 42.0 -53.5 -51.0 -5.8 6.2 -3.6 82 82 A F H >X S+ 0 0 1 -4,-1.1 4,-1.3 -3,-0.3 3,-0.7 0.829 112.3 56.4 -65.2 -32.6 -7.8 5.5 -0.4 83 83 A E H 3X S+ 0 0 87 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.763 83.5 87.1 -68.4 -25.2 -8.9 9.2 -0.4 84 84 A L H << S+ 0 0 109 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.841 110.2 14.9 -47.1 -43.6 -10.3 8.8 -3.9 85 85 A E H <4 S+ 0 0 141 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.725 129.9 52.8 -99.8 -30.1 -13.6 7.5 -2.5 86 86 A H H < S+ 0 0 41 -4,-1.3 -2,-0.2 -85,-0.2 -3,-0.1 0.101 75.9 140.3 -99.7 21.3 -13.2 8.5 1.1 87 87 A H < - 0 0 93 -4,-1.3 2,-0.3 -3,-0.1 -3,-0.0 -0.429 34.2-161.2 -62.5 134.5 -12.4 12.2 0.3 88 88 A H + 0 0 126 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.907 18.3 152.3-119.7 151.7 -14.0 14.6 2.7 89 89 A H - 0 0 100 -2,-0.3 2,-0.0 0, 0.0 0, 0.0 -0.946 42.0-126.8-160.7 176.0 -14.6 18.4 2.3 90 90 A H 0 0 191 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.479 360.0 360.0-135.0 65.0 -16.8 21.3 3.3 91 91 A H 0 0 219 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.785 360.0 360.0 -91.7 360.0 -18.0 22.9 0.1