==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN-BINDING PROTEIN 07-OCT-96 1EDJ . COMPND 2 MOLECULE: STAPHYLOCOCCAL PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.STAROVASNIK,N.J.SKELTON,W.J.FAIRBROTHER . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 67.9 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 . 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 . 3 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 55.4 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 0 0 1 0 0 1 1 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 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 A 0 0 97 0, 0.0 2,-2.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 151.2 -7.1 12.9 -10.6 2 2 A Q - 0 0 198 2,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.402 360.0 -19.2 73.3 -60.6 -9.1 15.8 -9.1 3 3 A H S S- 0 0 99 -2,-2.3 2,-2.0 0, 0.0 0, 0.0 -0.754 105.2 -45.6-149.3-166.6 -6.2 16.8 -6.7 4 4 A D + 0 0 125 -2,-0.2 3,-0.4 1,-0.2 4,-0.2 -0.556 63.9 160.0 -73.9 78.3 -3.1 15.2 -5.2 5 5 A E > + 0 0 45 -2,-2.0 4,-2.8 -4,-0.2 5,-0.2 -0.088 29.4 122.3 -90.0 30.9 -4.9 12.0 -4.3 6 6 A A H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 73.0 48.5 -60.6 -46.5 -1.5 10.2 -4.0 7 7 A Q H > S+ 0 0 70 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.923 114.9 45.3 -58.9 -50.0 -2.1 9.1 -0.4 8 8 A Q H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.941 114.9 46.0 -59.5 -54.7 -5.6 7.8 -1.2 9 9 A N H X S+ 0 0 56 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.901 114.1 48.5 -60.0 -45.9 -4.5 5.9 -4.4 10 10 A A H X S+ 0 0 3 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.933 112.3 49.3 -58.4 -48.9 -1.5 4.4 -2.7 11 11 A F H X S+ 0 0 79 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.918 112.1 47.8 -56.4 -49.4 -3.6 3.3 0.3 12 12 A Y H X S+ 0 0 115 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.908 113.4 47.8 -60.0 -46.2 -6.3 1.7 -1.9 13 13 A Q H < S+ 0 0 86 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.942 110.7 50.7 -60.7 -50.1 -3.6 -0.1 -4.0 14 14 A V H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.875 111.6 48.9 -57.0 -42.2 -1.8 -1.4 -0.8 15 15 A L H < S+ 0 0 59 -4,-2.3 2,-2.0 1,-0.3 -1,-0.2 0.960 106.2 58.8 -57.9 -53.0 -5.2 -2.7 0.5 16 16 A N < + 0 0 126 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.411 68.4 126.0 -82.3 62.7 -5.9 -4.4 -2.9 17 17 A M - 0 0 2 -2,-2.0 3,-0.3 -3,-0.4 8,-0.1 -0.897 35.9-177.3-114.8 92.7 -2.8 -6.6 -2.8 18 18 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.686 78.2 50.8 -72.1 -20.0 -4.4 -10.1 -3.4 19 19 A N S S+ 0 0 51 2,-0.1 2,-0.1 35,-0.0 32,-0.0 0.770 96.3 83.1 -89.1 -29.3 -1.1 -12.1 -3.1 20 20 A L S S- 0 0 10 -3,-0.3 2,-0.2 26,-0.1 -3,-0.1 -0.456 77.3-129.8 -71.1 147.2 -0.1 -10.4 0.2 21 21 A N >> - 0 0 85 -2,-0.1 4,-1.6 1,-0.0 3,-0.8 -0.537 35.2 -93.7 -89.4 163.6 -1.4 -11.7 3.5 22 22 A A H 3> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.856 119.9 55.5 -47.3 -55.5 -2.8 -9.3 6.1 23 23 A D H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.830 109.8 46.9 -50.2 -42.9 0.3 -8.6 8.1 24 24 A Q H <> S+ 0 0 66 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.969 115.6 41.7 -68.2 -56.2 2.3 -7.5 5.1 25 25 A R H X S+ 0 0 85 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.884 115.9 51.3 -60.7 -39.3 -0.2 -5.1 3.5 26 26 A N H X S+ 0 0 79 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.907 106.9 55.1 -60.6 -43.8 -1.1 -3.8 7.1 27 27 A G H X S+ 0 0 34 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.932 109.4 46.1 -51.8 -51.0 2.7 -3.2 7.5 28 28 A F H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.848 109.1 55.5 -64.4 -36.3 2.8 -1.1 4.4 29 29 A I H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.946 110.2 45.4 -59.4 -49.1 -0.4 0.8 5.5 30 30 A Q H X S+ 0 0 110 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.869 111.4 53.3 -62.6 -36.8 1.4 1.7 8.8 31 31 A S H X S+ 0 0 43 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.885 109.1 49.5 -62.5 -40.2 4.5 2.6 6.7 32 32 A L H < S+ 0 0 12 -4,-2.3 -2,-0.2 2,-0.2 6,-0.2 0.964 112.7 46.2 -61.0 -54.9 2.3 4.9 4.6 33 33 A K H < S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 117.7 43.6 -53.6 -47.3 0.8 6.6 7.7 34 34 A D H < S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 126.9 30.3 -67.0 -42.6 4.3 7.0 9.3 35 35 A D >< + 0 0 69 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.3 -0.717 67.6 164.8-122.2 74.4 6.0 8.2 6.1 36 36 A P G > S+ 0 0 66 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.863 77.9 55.8 -65.2 -37.5 3.3 10.1 4.1 37 37 A S G 3 S+ 0 0 99 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.774 104.8 56.0 -60.7 -28.2 5.9 11.7 1.7 38 38 A Q G <> + 0 0 98 -3,-0.9 4,-2.7 1,-0.2 -1,-0.3 0.022 66.3 119.5 -98.2 25.3 7.1 8.2 0.9 39 39 A S H <> S+ 0 0 5 -3,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.861 75.8 54.6 -55.9 -38.2 3.7 6.8 -0.3 40 40 A A H > S+ 0 0 81 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.916 111.0 43.8 -60.8 -47.0 5.3 6.2 -3.7 41 41 A N H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.945 114.1 49.6 -63.4 -51.2 8.2 4.1 -2.2 42 42 A V H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.896 112.4 48.6 -54.2 -46.6 5.7 2.2 0.1 43 43 A L H X S+ 0 0 37 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.915 110.9 51.0 -59.2 -47.2 3.5 1.5 -2.9 44 44 A G H X S+ 0 0 40 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 112.5 45.4 -55.6 -51.5 6.5 0.3 -4.9 45 45 A E H X S+ 0 0 90 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.908 114.1 49.4 -58.8 -47.7 7.6 -2.1 -2.1 46 46 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.913 113.4 45.5 -59.6 -47.3 4.1 -3.4 -1.6 47 47 A Q H X S+ 0 0 89 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.889 113.5 49.8 -65.0 -42.4 3.6 -4.0 -5.3 48 48 A K H X S+ 0 0 135 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.905 113.2 46.2 -62.2 -44.5 7.0 -5.7 -5.6 49 49 A L H X S+ 0 0 44 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.934 112.8 49.8 -64.7 -46.7 6.3 -8.0 -2.6 50 50 A N H < S+ 0 0 14 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.908 113.0 47.8 -55.0 -47.1 2.8 -8.8 -4.0 51 51 A D H >< S+ 0 0 103 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.929 111.7 48.3 -60.6 -50.2 4.4 -9.6 -7.4 52 52 A S H 3< S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 113.0 49.0 -62.2 -34.5 7.1 -11.8 -5.9 53 53 A Q T 3< S+ 0 0 77 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.212 83.5 132.1 -89.5 13.1 4.5 -13.7 -3.7 54 54 A A < - 0 0 44 -3,-1.7 -3,-0.1 1,-0.1 -35,-0.0 -0.425 56.8-140.5 -66.6 140.5 2.2 -14.2 -6.8 55 55 A P 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.879 360.0 360.0 -69.5 -39.8 1.0 -17.9 -7.2 56 56 A K 0 0 252 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.465 360.0 360.0 104.3 360.0 1.4 -17.9 -11.0