==== 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 1EDI . 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) . 4101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 66.1 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 . 1 1.8 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 . 32 57.1 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+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 0 1 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 0 102 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -55.8 -14.1 -1.6 -10.9 2 2 A Q - 0 0 122 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.761 360.0 -72.6 -59.1 -30.7 -17.3 0.4 -10.3 3 3 A H S S+ 0 0 140 1,-0.1 5,-0.2 2,-0.0 -1,-0.2 -0.930 94.1 109.5 166.8-150.8 -15.0 3.4 -9.8 4 4 A D > + 0 0 99 -2,-0.3 4,-2.4 3,-0.1 5,-0.2 0.903 38.5 170.2 55.6 51.5 -12.6 4.5 -7.0 5 5 A E H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 73.9 47.2 -66.1 -44.4 -9.5 3.9 -9.2 6 6 A A H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 112.5 52.4 -59.9 -42.8 -7.0 5.5 -6.8 7 7 A Q H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.953 115.1 38.1 -60.0 -56.3 -8.5 3.6 -3.8 8 8 A Q H X S+ 0 0 50 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.874 114.8 55.6 -66.4 -38.8 -8.3 0.2 -5.4 9 9 A N H X S+ 0 0 79 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.940 107.3 48.8 -58.6 -51.3 -4.8 0.9 -7.0 10 10 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.913 112.8 48.8 -55.0 -46.3 -3.3 1.9 -3.6 11 11 A F H X S+ 0 0 85 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.938 112.6 46.7 -58.7 -51.6 -4.7 -1.3 -2.0 12 12 A Y H X S+ 0 0 111 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.889 113.1 50.2 -58.7 -43.6 -3.4 -3.5 -4.9 13 13 A Q H < S+ 0 0 73 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.946 107.9 51.7 -61.5 -51.3 0.0 -1.8 -4.7 14 14 A V H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.879 113.2 46.7 -55.0 -41.6 0.3 -2.2 -0.9 15 15 A L H < S+ 0 0 66 -4,-2.1 2,-1.8 1,-0.2 -1,-0.2 0.960 108.2 57.0 -60.6 -53.6 -0.4 -6.0 -1.4 16 16 A N S < S+ 0 0 121 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.434 75.7 108.7 -84.8 64.5 2.1 -6.3 -4.3 17 17 A M > - 0 0 4 -2,-1.8 3,-1.2 -3,-0.4 8,-0.1 -0.821 44.2-176.3-136.1 91.0 5.2 -5.0 -2.3 18 18 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.605 75.8 63.9 -72.7 -12.9 7.4 -8.1 -1.8 19 19 A N T 3 S+ 0 0 47 2,-0.1 2,-0.1 35,-0.0 32,-0.0 0.643 89.5 82.5 -88.8 -15.4 10.0 -6.4 0.4 20 20 A L S < S- 0 0 9 -3,-1.2 2,-0.2 -6,-0.1 -3,-0.0 -0.343 77.3-129.7 -72.1 165.9 7.5 -5.6 3.1 21 21 A N > - 0 0 68 -2,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.522 31.4 -94.7-104.1 179.8 6.6 -8.2 5.8 22 22 A A H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.956 122.5 49.5 -60.7 -55.1 3.1 -9.3 6.8 23 23 A D H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 114.1 47.3 -53.4 -46.0 2.8 -7.0 9.8 24 24 A Q H > S+ 0 0 42 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.965 115.2 41.5 -60.3 -60.7 3.9 -4.0 7.7 25 25 A R H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.895 117.4 47.6 -63.8 -40.8 1.7 -4.5 4.6 26 26 A N H X S+ 0 0 90 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.894 110.3 54.5 -63.1 -40.5 -1.4 -5.5 6.8 27 27 A G H X S+ 0 0 32 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.938 110.1 45.6 -54.8 -50.6 -0.6 -2.4 8.9 28 28 A F H X S+ 0 0 32 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.888 110.6 53.8 -62.3 -41.3 -0.7 -0.2 5.7 29 29 A I H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.928 110.4 46.6 -57.9 -47.5 -3.9 -2.0 4.5 30 30 A Q H X S+ 0 0 118 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.871 111.2 51.9 -64.0 -37.6 -5.6 -1.2 7.9 31 31 A S H X S+ 0 0 49 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 111.8 47.3 -61.4 -42.5 -4.3 2.4 7.6 32 32 A L H < S+ 0 0 7 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.925 112.8 48.7 -62.0 -49.0 -5.9 2.6 4.1 33 33 A K H < S+ 0 0 158 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.2 42.7 -58.8 -47.0 -9.2 1.1 5.4 34 34 A D H < S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 127.0 31.8 -66.4 -45.1 -9.3 3.6 8.3 35 35 A D >< + 0 0 53 -4,-2.6 3,-0.8 -5,-0.2 -1,-0.3 -0.741 63.4 165.1-118.6 77.6 -8.3 6.6 6.2 36 36 A P G > S+ 0 0 63 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.825 79.6 62.3 -64.8 -30.2 -9.6 6.0 2.6 37 37 A S G 3 S+ 0 0 106 1,-0.3 3,-0.5 -3,-0.1 2,-0.5 0.862 96.4 60.8 -54.7 -39.5 -8.9 9.7 2.0 38 38 A Q G <> + 0 0 76 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 -0.144 63.5 124.5 -89.8 39.9 -5.1 9.0 2.6 39 39 A S H <> S+ 0 0 11 -3,-0.9 4,-2.5 -2,-0.5 -1,-0.2 0.951 78.0 45.4 -58.4 -51.3 -4.8 6.5 -0.3 40 40 A A H > S+ 0 0 83 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.880 114.9 47.1 -61.0 -44.5 -1.9 8.5 -1.7 41 41 A N H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.964 114.1 45.6 -64.5 -54.0 -0.1 8.9 1.7 42 42 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.900 114.2 50.4 -55.5 -45.3 -0.4 5.2 2.7 43 43 A L H X S+ 0 0 39 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.926 111.8 47.8 -56.7 -49.6 0.7 4.2 -0.8 44 44 A G H X S+ 0 0 40 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.928 113.8 45.9 -58.1 -51.3 3.8 6.6 -0.5 45 45 A E H X S+ 0 0 87 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.912 114.9 47.6 -59.2 -47.9 4.7 5.3 3.0 46 46 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.913 112.7 48.5 -60.7 -46.2 4.3 1.7 2.0 47 47 A Q H X S+ 0 0 76 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.880 112.0 49.7 -62.7 -41.4 6.4 2.2 -1.2 48 48 A K H X S+ 0 0 152 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.919 112.5 46.5 -62.4 -46.7 9.1 4.0 0.7 49 49 A L H X S+ 0 0 59 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.899 114.7 47.8 -65.5 -40.6 9.3 1.2 3.3 50 50 A N H < S+ 0 0 16 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.930 113.8 47.5 -60.3 -49.8 9.3 -1.5 0.5 51 51 A D H >< S+ 0 0 112 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.925 111.6 48.7 -61.0 -49.9 12.0 0.4 -1.4 52 52 A S H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 112.7 49.5 -61.4 -33.1 14.3 0.9 1.7 53 53 A Q T 3< S+ 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.259 83.4 129.6 -89.4 10.7 13.9 -2.8 2.6 54 54 A A < - 0 0 42 -3,-1.7 -3,-0.1 1,-0.1 -4,-0.0 -0.430 57.5-141.3 -67.0 139.7 14.8 -3.8 -1.0 55 55 A P 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.886 360.0 360.0 -69.7 -40.8 17.6 -6.5 -1.2 56 56 A K 0 0 252 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.471 360.0 360.0 90.2 360.0 19.3 -5.0 -4.2