==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 09-OCT-07 2JWD . COMPND 2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.ROBERTSON,J.HORNE,M.J.SCANLON,S.P.BOTTOMLEY . 59 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 74.6 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 . 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 57.6 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 0 1 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 D 0 0 200 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-134.7 6.9 7.2 74.8 2 2 A V - 0 0 105 0, 0.0 2,-0.6 0, 0.0 3,-0.0 -0.941 360.0-126.3-117.1 135.1 3.9 5.0 75.6 3 3 A D - 0 0 115 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.688 8.8-151.8 -83.2 118.7 0.4 6.2 76.3 4 4 A N S S+ 0 0 149 -2,-0.6 2,-0.3 2,-0.0 -1,-0.2 0.829 81.5 68.8 -55.8 -34.7 -0.9 5.0 79.7 5 5 A K + 0 0 160 -3,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.682 66.1 178.2 -91.6 142.7 -4.5 5.2 78.3 6 6 A F - 0 0 134 -2,-0.3 2,-0.4 3,-0.0 3,-0.0 -0.921 28.4-114.0-138.1 163.6 -5.7 2.8 75.5 7 7 A N > - 0 0 115 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.818 19.8-134.2-101.7 137.2 -8.9 2.1 73.6 8 8 A K H > S+ 0 0 170 -2,-0.4 4,-0.9 1,-0.2 3,-0.3 0.884 107.6 53.8 -57.8 -39.2 -10.6 -1.2 74.0 9 9 A E H >> S+ 0 0 176 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.879 102.3 59.4 -63.2 -35.5 -11.0 -1.6 70.3 10 10 A Q H >> S+ 0 0 52 -3,-0.3 4,-1.2 1,-0.2 3,-0.7 0.866 96.1 61.9 -59.1 -38.3 -7.3 -1.1 69.9 11 11 A Q H 3X S+ 0 0 100 -4,-1.3 4,-1.5 -3,-0.3 3,-0.4 0.873 94.8 61.8 -57.2 -38.4 -6.6 -4.1 72.1 12 12 A N H < - 0 0 10 -4,-1.5 3,-0.5 -3,-0.2 8,-0.1 -0.041 46.4-179.1 -36.6 89.2 -1.1 -15.1 62.6 21 21 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.877 75.6 60.3 -66.1 -35.6 0.2 -18.8 62.9 22 22 A N T 3 S+ 0 0 46 2,-0.0 2,-0.3 -3,-0.0 -2,-0.1 0.780 97.4 70.4 -59.3 -34.6 2.0 -18.6 59.6 23 23 A L S < S- 0 0 4 -3,-0.5 30,-0.0 1,-0.1 2,-0.0 -0.707 78.3-130.1 -94.6 144.1 4.2 -15.7 60.7 24 24 A N > - 0 0 84 -2,-0.3 4,-1.0 1,-0.1 3,-0.4 -0.221 36.0 -95.3 -80.3 172.8 7.1 -15.9 63.2 25 25 A E H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 3,-0.1 0.818 117.6 63.1 -61.7 -35.0 7.4 -13.4 66.1 26 26 A E H > S+ 0 0 150 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.915 100.6 52.4 -61.1 -39.4 9.8 -11.0 64.3 27 27 A Q H >> S+ 0 0 60 -3,-0.4 4,-0.9 1,-0.2 3,-0.5 0.877 102.7 60.0 -61.7 -36.7 7.2 -10.1 61.6 28 28 A R H >X S+ 0 0 34 -4,-1.0 4,-1.2 1,-0.3 3,-0.6 0.880 97.5 59.3 -59.5 -38.2 4.8 -9.3 64.4 29 29 A N H 3X S+ 0 0 79 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.3 0.860 93.8 65.8 -58.3 -37.9 7.1 -6.6 65.7 30 30 A G H < + 0 0 66 -4,-1.4 3,-1.3 -3,-0.1 -1,-0.3 -0.628 63.2 171.2-136.4 76.0 0.1 6.6 63.7 39 39 A P G > S+ 0 0 77 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.859 84.2 59.0 -57.3 -31.2 -1.9 5.4 66.7 40 40 A S G > S+ 0 0 107 1,-0.3 3,-0.6 2,-0.1 4,-0.1 0.817 103.2 53.5 -64.4 -30.2 -5.1 6.9 65.2 41 41 A Q G <> S+ 0 0 80 -3,-1.3 4,-2.0 1,-0.2 3,-0.4 0.200 70.2 112.5 -88.0 12.2 -4.5 4.7 62.1 42 42 A S H <> S+ 0 0 22 -3,-1.5 4,-1.6 1,-0.3 -1,-0.2 0.856 75.3 58.3 -57.7 -29.5 -4.3 1.5 64.1 43 43 A A H <> S+ 0 0 68 -3,-0.6 4,-1.1 1,-0.2 3,-0.3 0.932 103.5 50.8 -64.1 -42.2 -7.6 0.6 62.4 44 44 A N H > S+ 0 0 95 -3,-0.4 4,-1.0 1,-0.2 3,-0.4 0.899 109.2 52.4 -59.9 -38.8 -6.0 0.9 59.0 45 45 A L H X S+ 0 0 21 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.813 97.3 67.0 -63.9 -35.1 -3.2 -1.4 60.2 46 46 A L H X S+ 0 0 54 -4,-1.6 4,-0.8 -3,-0.3 3,-0.3 0.889 100.2 49.2 -57.1 -40.5 -5.7 -4.0 61.3 47 47 A A H X S+ 0 0 71 -4,-1.1 4,-0.9 -3,-0.4 3,-0.3 0.859 106.0 57.7 -66.3 -38.0 -6.7 -4.7 57.7 48 48 A E H X S+ 0 0 106 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.791 94.7 63.9 -64.3 -34.6 -3.0 -5.0 56.6 49 49 A A H X S+ 0 0 1 -4,-1.4 4,-1.3 -3,-0.3 -1,-0.2 0.907 99.1 52.4 -62.8 -40.5 -2.1 -7.8 59.0 50 50 A K H X S+ 0 0 154 -4,-0.8 4,-1.0 -3,-0.3 -1,-0.2 0.889 105.9 56.5 -60.9 -38.6 -4.5 -10.4 57.5 51 51 A K H X S+ 0 0 166 -4,-0.9 4,-0.9 1,-0.2 3,-0.5 0.882 102.1 54.2 -60.5 -42.3 -3.1 -9.7 54.0 52 52 A L H >X S+ 0 0 61 -4,-1.5 4,-1.3 1,-0.2 3,-0.6 0.856 97.9 64.6 -61.5 -37.6 0.5 -10.6 55.0 53 53 A N H 3X S+ 0 0 39 -4,-1.3 4,-1.0 1,-0.3 3,-0.3 0.890 98.0 55.4 -55.2 -40.2 -0.5 -14.0 56.4 54 54 A D H 3< S+ 0 0 125 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.850 101.7 58.3 -59.9 -38.7 -1.6 -15.0 52.9 55 55 A A H << S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.862 97.0 58.5 -63.9 -38.6 1.9 -14.2 51.5 56 56 A Q H < S- 0 0 89 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.908 76.5-178.8 -59.0 -39.7 3.8 -16.6 53.8 57 57 A A < - 0 0 56 -4,-1.0 -3,-0.1 -3,-0.1 -2,-0.1 0.899 7.4-175.5 39.6 63.6 1.8 -19.5 52.5 58 58 A P 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.772 360.0 360.0 -57.4 -24.2 3.5 -22.1 54.7 59 59 A K 0 0 239 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.654 360.0 360.0 -92.0 360.0 1.4 -24.7 52.8