==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-MAR-10 2KVS . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MW0776; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.V.T.SWAPNA,A.F.MONTELIONE,D.WANG,C.CICCOSANTI,H.JANJUA, . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 65.0 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 . 1 1.2 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A M 0 0 241 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.8 19.2 -13.4 -1.3 2 2 A A - 0 0 68 1,-0.0 2,-0.4 2,-0.0 33,-0.0 -0.658 360.0-173.4 -81.0 127.6 17.3 -10.2 -1.8 3 3 A G + 0 0 66 -2,-0.4 -1,-0.0 2,-0.0 0, 0.0 -0.733 16.3 160.9-122.0 82.4 13.9 -10.6 -3.4 4 4 A D + 0 0 85 -2,-0.4 -2,-0.0 1,-0.1 31,-0.0 -0.848 13.6 160.1-109.9 98.2 12.5 -7.1 -4.2 5 5 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.677 34.8-152.0 -82.4 -20.3 9.6 -7.0 -6.8 6 6 A M > + 0 0 100 3,-0.1 4,-2.6 1,-0.1 5,-0.2 0.777 35.5 157.4 52.4 33.5 8.6 -3.5 -5.4 7 7 A T H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 3,-0.1 0.934 70.9 46.1 -50.4 -59.0 5.0 -4.2 -6.6 8 8 A F H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 114.0 49.8 -52.2 -43.1 3.4 -1.7 -4.1 9 9 A Y H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.872 105.6 56.4 -67.6 -37.3 6.0 0.9 -5.1 10 10 A N H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 107.5 50.5 -61.2 -35.2 5.4 0.4 -8.8 11 11 A F H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.903 112.7 43.8 -69.3 -43.3 1.7 1.2 -8.2 12 12 A I H >X S+ 0 0 3 -4,-1.7 3,-1.5 2,-0.1 4,-0.8 0.713 91.7 101.4 -79.5 -20.9 2.4 4.4 -6.3 13 13 A M T 3< S+ 0 0 102 -4,-1.9 4,-0.1 1,-0.2 10,-0.0 -0.391 72.2 45.9 -63.1 143.7 5.0 5.5 -8.8 14 14 A G T 34 S+ 0 0 61 2,-0.3 4,-0.3 -2,-0.1 -1,-0.2 -0.261 104.0 65.9 107.1 -43.1 3.6 8.1 -11.2 15 15 A F T X4 S+ 0 0 82 -3,-1.5 2,-1.6 1,-0.2 3,-0.7 0.823 85.0 78.5 -74.9 -34.7 2.0 10.0 -8.3 16 16 A Q T 3< S+ 0 0 49 -4,-0.8 -2,-0.3 1,-0.2 -1,-0.2 -0.602 84.4 58.1 -76.6 86.3 5.6 10.8 -7.1 17 17 A N T 3 S+ 0 0 157 -2,-1.6 2,-0.3 1,-0.8 -1,-0.2 0.025 98.5 49.5-173.0 -49.8 6.4 13.7 -9.5 18 18 A D S < S- 0 0 112 -3,-0.7 2,-1.7 -4,-0.3 -1,-0.8 -0.698 103.6 -85.6-100.0 159.3 3.7 16.3 -9.0 19 19 A N S S+ 0 0 158 -2,-0.3 -3,-0.1 -3,-0.1 3,-0.0 -0.447 73.9 145.5 -68.2 86.8 2.7 17.8 -5.6 20 20 A T > - 0 0 29 -2,-1.7 4,-2.2 -5,-0.3 5,-0.2 -0.964 60.2-126.3-127.2 144.3 0.1 15.1 -4.7 21 21 A P H > S+ 0 0 57 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.850 117.3 50.0 -52.5 -36.4 -1.0 13.6 -1.3 22 22 A F H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.891 107.8 52.7 -68.6 -41.9 -0.3 10.1 -2.9 23 23 A G H > S+ 0 0 4 -8,-0.4 4,-3.0 1,-0.2 5,-0.2 0.855 100.3 61.7 -62.7 -36.3 3.1 11.3 -4.1 24 24 A I H X S+ 0 0 88 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.870 102.3 53.1 -57.4 -37.9 4.0 12.4 -0.6 25 25 A L H X S+ 0 0 1 -4,-0.9 4,-2.5 -3,-0.4 5,-0.3 0.980 112.5 41.7 -60.2 -58.3 3.6 8.7 0.5 26 26 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.895 116.4 51.0 -55.9 -42.8 6.0 7.4 -2.2 27 27 A E H X S+ 0 0 113 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.934 112.5 44.3 -62.0 -47.9 8.4 10.3 -1.6 28 28 A H H < S+ 0 0 71 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.854 116.6 45.4 -70.3 -36.1 8.6 9.8 2.2 29 29 A V H >< S+ 0 0 41 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.815 106.6 59.7 -75.8 -29.3 8.9 5.9 1.9 30 30 A S H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.655 92.4 70.8 -69.8 -16.3 11.5 6.4 -0.8 31 31 A E T 3< S+ 0 0 132 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.847 88.9 76.0 -63.8 -36.5 13.5 8.3 1.9 32 32 A D S < S- 0 0 75 -3,-0.9 -3,-0.0 -4,-0.4 0, 0.0 -0.214 98.8-107.5 -74.0 166.9 14.1 5.0 3.7 33 33 A K - 0 0 166 1,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.729 36.4-147.2 -68.3 -22.2 16.7 2.4 2.5 34 34 A A + 0 0 67 1,-0.2 -1,-0.1 -5,-0.2 3,-0.1 0.675 39.0 159.8 62.2 18.3 13.8 0.1 1.3 35 35 A F - 0 0 154 1,-0.1 -1,-0.2 -33,-0.0 -2,-0.1 -0.590 47.6-103.7 -76.1 125.7 16.1 -2.9 2.2 36 36 A P + 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.125 50.2 157.7 -52.6 138.5 14.0 -6.1 2.7 37 37 A R S S- 0 0 198 -3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.617 70.2 -38.9-123.8 -69.4 13.4 -7.2 6.3 38 38 A L S S+ 0 0 120 3,-0.1 3,-0.2 0, 0.0 0, 0.0 -0.366 73.5 145.5-169.1 69.6 10.4 -9.5 6.8 39 39 A E + 0 0 81 1,-0.2 2,-2.9 5,-0.0 5,-0.2 0.983 9.9 143.0 -78.6 -70.3 7.4 -8.4 4.6 40 40 A E S S+ 0 0 152 4,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.310 70.4 31.6 64.5 -69.5 5.7 -11.7 3.6 41 41 A R S S- 0 0 172 -2,-2.9 4,-0.3 -3,-0.2 -3,-0.1 -0.473 74.1-128.0-109.0-178.3 2.1 -10.2 3.7 42 42 A H S > S+ 0 0 57 -2,-0.2 4,-1.9 2,-0.1 3,-0.1 0.703 98.7 68.2-102.9 -27.5 0.6 -6.7 3.1 43 43 A Q H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.879 95.9 56.5 -61.4 -39.7 -1.3 -6.3 6.4 44 44 A V H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 106.1 50.8 -57.8 -41.5 1.9 -6.0 8.4 45 45 A I H > S+ 0 0 48 -4,-0.3 4,-2.5 2,-0.2 5,-0.3 0.906 107.4 54.1 -61.5 -42.7 3.0 -3.1 6.1 46 46 A R H X S+ 0 0 97 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.937 108.4 48.9 -54.9 -50.5 -0.4 -1.5 6.9 47 47 A A H X S+ 0 0 61 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.922 112.8 47.4 -57.4 -48.1 0.2 -1.7 10.6 48 48 A Y H >X S+ 0 0 152 -4,-2.2 4,-1.7 2,-0.2 3,-0.6 0.963 114.7 43.2 -60.4 -55.7 3.7 -0.2 10.3 49 49 A V H 3X S+ 0 0 21 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.886 114.1 50.9 -61.6 -39.5 2.8 2.8 8.1 50 50 A M H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.730 109.6 51.9 -71.3 -22.5 -0.4 3.6 10.1 51 51 A S H << S+ 0 0 105 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.813 120.6 31.9 -81.1 -33.9 1.7 3.5 13.4 52 52 A N H < S+ 0 0 128 -4,-1.7 2,-0.6 1,-0.1 -2,-0.2 0.913 114.2 59.0 -87.3 -53.6 4.3 6.0 12.1 53 53 A Y < + 0 0 36 -4,-2.8 -1,-0.1 -5,-0.2 6,-0.0 -0.697 51.0 178.3 -84.6 118.9 2.3 8.2 9.7 54 54 A T + 0 0 114 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.564 49.3 114.9 -89.4 -11.5 -0.7 10.0 11.4 55 55 A D > - 0 0 88 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.453 63.1-146.3 -65.4 121.1 -1.5 11.7 8.0 56 56 A H H > S+ 0 0 155 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.873 97.4 50.7 -58.5 -42.8 -4.9 10.5 6.8 57 57 A Q H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 110.1 49.5 -62.9 -41.5 -3.9 10.6 3.1 58 58 A L H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.906 116.4 42.7 -66.3 -41.3 -0.7 8.6 3.7 59 59 A I H X S+ 0 0 31 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.954 115.8 48.4 -65.2 -51.9 -2.6 6.0 5.7 60 60 A E H X S+ 0 0 94 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.930 109.0 52.3 -56.5 -52.1 -5.6 5.9 3.2 61 61 A T H X S+ 0 0 5 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.901 111.5 48.8 -51.2 -45.4 -3.4 5.6 0.1 62 62 A T H X S+ 0 0 1 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.971 114.2 40.7 -62.8 -58.1 -1.6 2.6 1.6 63 63 A N H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.769 114.2 56.9 -67.4 -24.2 -4.6 0.5 2.8 64 64 A R H X S+ 0 0 131 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.967 109.3 43.2 -65.3 -54.9 -6.3 1.4 -0.5 65 65 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.909 115.7 49.8 -57.5 -44.9 -3.5 0.0 -2.7 66 66 A I H X S+ 0 0 6 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.943 110.5 50.0 -57.8 -50.1 -3.3 -3.0 -0.4 67 67 A S H >X S+ 0 0 67 -4,-2.3 4,-2.8 1,-0.2 3,-0.9 0.925 112.4 47.6 -54.6 -48.5 -7.1 -3.6 -0.6 68 68 A L H 3X>S+ 0 0 73 -4,-2.6 4,-2.5 1,-0.2 5,-0.7 0.951 107.0 54.9 -59.6 -51.3 -7.0 -3.3 -4.5 69 69 A Y H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.587 116.9 40.5 -63.2 -9.5 -4.0 -5.7 -4.8 70 70 A M H >X S+ 0 0 118 -4,-2.6 4,-2.0 1,-0.3 3,-1.0 0.911 112.1 52.4 -56.2 -44.8 -8.7 -12.6 -6.4 75 75 A H H 3< S+ 0 0 113 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.365 106.4 54.8 -79.3 5.9 -11.3 -11.4 -8.8 76 76 A H H <4 S+ 0 0 124 -3,-1.8 -1,-0.3 -5,-0.1 3,-0.2 0.487 109.2 46.0-106.0 -14.6 -8.8 -11.9 -11.7 77 77 A H H << S+ 0 0 137 -3,-1.0 2,-0.4 -4,-1.0 -2,-0.2 0.682 130.5 26.9 -86.4 -27.8 -8.3 -15.5 -10.6 78 78 A H S < S+ 0 0 149 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 -0.875 75.5 157.9-134.0 101.8 -12.1 -15.8 -10.4 79 79 A H 0 0 140 -2,-0.4 -4,-0.1 -3,-0.2 -3,-0.0 -0.742 360.0 360.0-132.5 86.9 -14.0 -13.3 -12.7 80 80 A H 0 0 259 -2,-0.4 -1,-0.0 0, 0.0 -5,-0.0 -0.344 360.0 360.0 55.8 360.0 -17.6 -14.3 -13.5