==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN-BINDING PROTEIN 28-JUN-96 1BDD . COMPND 2 MOLECULE: STAPHYLOCOCCUS AUREUS PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR H.GOUDA,H.TORIGOE,A.SAITO,M.SATO,Y.ARATA,I.SHIMADA . 60 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 70.0 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 . 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 . 4 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 51.7 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 1 0 1 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 T 0 0 175 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -33.2 -23.5 -5.4 1.6 2 2 A A + 0 0 92 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.180 360.0 170.4 45.9 -95.4 -21.6 -3.1 -0.6 3 3 A D + 0 0 147 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.979 17.0 163.1 56.4 60.4 -19.7 -1.3 2.1 4 4 A N + 0 0 131 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.915 16.1 140.9-115.0 137.2 -17.3 0.6 -0.2 5 5 A K + 0 0 155 -2,-0.4 2,-0.7 2,-0.0 3,-0.3 -0.074 18.6 138.3-168.0 53.5 -15.2 3.6 0.7 6 6 A F + 0 0 34 1,-0.1 34,-0.0 2,-0.1 -2,-0.0 -0.868 38.3 90.4-110.8 101.9 -11.7 3.5 -0.9 7 7 A N + 0 0 96 -2,-0.7 5,-0.2 4,-0.1 -1,-0.1 0.351 51.8 92.2-154.8 -38.5 -10.7 6.9 -2.2 8 8 A K S S- 0 0 155 -3,-0.3 -2,-0.1 1,-0.2 0, 0.0 0.752 126.0 -61.7 -39.6 -26.2 -8.8 8.7 0.6 9 9 A E S > S+ 0 0 84 3,-0.0 4,-3.5 37,-0.0 5,-0.4 0.144 113.3 105.5 163.6 -25.6 -5.8 7.1 -1.0 10 10 A Q H > S+ 0 0 13 3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.857 84.6 51.3 -46.6 -41.4 -6.2 3.3 -0.8 11 11 A Q H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.997 121.1 27.5 -61.9 -73.1 -7.0 3.1 -4.5 12 12 A N H > S+ 0 0 83 -5,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.907 123.0 55.6 -56.5 -41.7 -4.1 5.1 -6.0 13 13 A A H >X S+ 0 0 4 -4,-3.5 4,-2.1 2,-0.2 3,-1.9 0.976 103.7 53.5 -55.2 -59.4 -1.9 4.1 -3.1 14 14 A F H 3X S+ 0 0 43 -4,-2.6 4,-1.6 -5,-0.4 -2,-0.2 0.929 107.0 48.7 -40.2 -70.7 -2.5 0.4 -3.6 15 15 A Y H 3< S+ 0 0 153 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.745 116.7 49.8 -46.1 -20.6 -1.4 0.3 -7.2 16 16 A E H XX S+ 0 0 94 -3,-1.9 3,-0.9 -4,-0.9 4,-0.5 0.965 100.4 54.3 -83.8 -66.1 1.6 2.3 -6.0 17 17 A I H 3< S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.3 2,-0.4 0.766 97.1 74.7 -39.8 -26.5 2.9 0.3 -3.0 18 18 A L T 3< S+ 0 0 34 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.1 0.016 97.8 44.5 -80.3 33.1 3.0 -2.6 -5.5 19 19 A H T <4 + 0 0 122 -3,-0.9 -1,-0.2 -2,-0.4 -2,-0.2 0.504 62.3 137.2-145.9 -21.6 6.0 -1.1 -7.1 20 20 A L >< - 0 0 10 -4,-0.5 3,-1.3 -3,-0.5 8,-0.1 -0.011 37.0-164.3 -37.7 94.1 8.5 0.1 -4.5 21 21 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.478 75.8 67.0 -68.3 -1.1 11.7 -1.3 -6.3 22 22 A N T 3 S+ 0 0 85 2,-0.1 2,-0.2 37,-0.0 -2,-0.1 0.729 96.8 48.7 -95.4 -20.3 13.8 -1.1 -3.2 23 23 A L S < S- 0 0 27 -3,-1.3 2,-0.2 1,-0.0 30,-0.0 -0.727 83.7-103.0-117.0 169.2 12.2 -3.8 -0.9 24 24 A N > - 0 0 99 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.481 24.2-128.1 -82.9 158.6 11.1 -7.4 -1.3 25 25 A E H > S+ 0 0 105 3,-0.2 4,-2.6 2,-0.2 5,-0.5 0.699 96.5 78.3 -82.6 -16.5 7.5 -8.2 -1.6 26 26 A E H > S+ 0 0 149 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.988 109.9 26.9 -52.8 -60.2 7.4 -10.8 1.1 27 27 A Q H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.1 3,-0.3 0.961 128.6 45.0 -66.3 -51.6 7.3 -8.0 3.7 28 28 A R H X S+ 0 0 11 -4,-1.6 4,-1.3 1,-0.3 5,-0.4 0.979 109.5 52.7 -59.2 -57.2 5.6 -5.5 1.5 29 29 A N H X S+ 0 0 67 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.814 102.2 70.7 -47.8 -23.7 3.1 -7.9 0.1 30 30 A G H X S+ 0 0 25 -4,-0.8 4,-1.1 -5,-0.5 -1,-0.2 0.988 97.2 42.1 -59.0 -63.1 2.6 -8.4 3.8 31 31 A F H >X S+ 0 0 30 -4,-1.3 3,-2.1 -3,-0.4 4,-0.9 0.971 122.2 40.6 -50.3 -57.9 0.9 -5.0 4.5 32 32 A I H 3X S+ 0 0 1 -4,-1.3 4,-2.1 1,-0.3 5,-0.4 0.805 96.4 77.7 -62.8 -24.9 -1.2 -5.2 1.4 33 33 A Q H 3X S+ 0 0 119 -4,-2.2 4,-1.7 -5,-0.4 -1,-0.3 0.881 101.6 44.6 -51.9 -28.7 -1.8 -8.8 2.0 34 34 A S H < - 0 0 83 -4,-3.0 2,-2.3 -6,-0.2 3,-0.6 -0.699 67.1-173.5-140.2 83.5 -9.2 -7.1 4.6 39 39 A P T 3 + 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.082 61.2 101.1 -69.7 42.1 -9.6 -3.8 2.6 40 40 A S T 3 S+ 0 0 71 -2,-2.3 3,-0.3 -6,-0.3 -5,-0.1 0.925 95.9 11.5 -91.0 -58.9 -10.5 -2.0 5.9 41 41 A Q S <> S+ 0 0 121 -3,-0.6 4,-1.7 1,-0.2 3,-0.4 0.006 83.8 131.2-108.5 27.3 -7.3 -0.2 6.9 42 42 A S H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.848 71.7 57.5 -47.0 -37.8 -5.5 -0.7 3.6 43 43 A A H > S+ 0 0 16 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.960 101.9 52.5 -60.5 -52.1 -4.7 3.0 3.7 44 44 A N H >> S+ 0 0 86 -3,-0.4 4,-1.6 1,-0.2 3,-0.6 0.918 106.5 52.6 -52.8 -47.5 -3.0 2.9 7.0 45 45 A L H 3X S+ 0 0 27 -4,-1.7 4,-2.0 1,-0.3 3,-0.3 0.937 100.5 63.6 -56.1 -42.7 -0.7 0.0 6.0 46 46 A L H 3X S+ 0 0 17 -4,-1.8 4,-1.8 1,-0.3 3,-0.4 0.905 99.8 52.5 -47.7 -43.3 0.2 2.1 3.0 47 47 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.4 3,-0.6 0.996 103.8 51.1 -71.0 -65.8 5.2 1.0 3.5 50 50 A K H 3X S+ 0 0 49 -4,-1.8 4,-2.8 1,-0.3 5,-0.2 0.811 113.0 53.2 -41.4 -29.5 6.4 4.3 2.2 51 51 A K H 3X S+ 0 0 134 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.3 0.947 106.6 47.6 -73.0 -47.6 8.1 4.4 5.6 52 52 A L H