==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 29-JUL-98 2SPZ . COMPND 2 MOLECULE: IMMUNOGLOBULIN G BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.T.MONTELIONE,M.TASHIRO,R.TEJERO,B.A.LYONS . 58 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 67.2 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 . 2 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 56.9 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 2 0 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 V 0 0 117 0, 0.0 9,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-109.2 7.3 -9.1 -10.4 2 2 A D - 0 0 67 1,-0.1 0, 0.0 4,-0.0 0, 0.0 0.106 360.0 -76.2 -71.9-169.2 9.6 -11.8 -8.8 3 3 A N S S+ 0 0 169 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.553 134.2 41.7 -69.3 -6.0 8.6 -15.3 -7.7 4 4 A K S S+ 0 0 61 1,-0.1 2,-1.8 2,-0.1 -1,-0.2 0.821 92.3 81.9-100.7 -53.0 7.0 -13.8 -4.6 5 5 A F + 0 0 28 4,-0.1 -1,-0.1 1,-0.1 30,-0.1 -0.370 67.7 123.3 -67.7 82.4 5.2 -10.7 -6.0 6 6 A N > - 0 0 61 -2,-1.8 4,-2.1 -3,-0.1 5,-0.4 0.313 58.3 -5.3-109.9-130.2 2.1 -12.4 -7.2 7 7 A K H > S+ 0 0 129 2,-0.2 4,-2.3 3,-0.2 3,-0.3 0.905 127.9 4.2 -39.6-106.6 -1.7 -12.1 -6.6 8 8 A E H > S+ 0 0 39 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.912 128.5 63.1 -53.7 -46.5 -2.9 -9.6 -3.9 9 9 A Q H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 108.6 38.0 -46.0 -55.6 0.6 -8.5 -3.4 10 10 A Q H X S+ 0 0 17 -4,-2.1 4,-2.8 -3,-0.3 5,-0.2 0.951 115.0 52.2 -70.0 -45.3 1.0 -7.2 -7.0 11 11 A N H X S+ 0 0 113 -4,-2.3 4,-2.9 -5,-0.4 5,-0.2 0.950 115.1 44.0 -50.6 -49.1 -2.6 -5.7 -7.3 12 12 A A H X S+ 0 0 1 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.865 109.6 56.5 -61.2 -43.5 -1.9 -3.9 -4.1 13 13 A F H X S+ 0 0 39 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.946 111.5 43.0 -54.8 -51.4 1.6 -2.9 -5.3 14 14 A Y H X S+ 0 0 140 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.968 114.1 48.9 -58.6 -55.8 0.1 -1.3 -8.3 15 15 A E H X S+ 0 0 53 -4,-2.9 4,-0.6 -5,-0.2 -2,-0.2 0.878 110.6 54.8 -53.5 -37.9 -2.8 0.4 -6.4 16 16 A I H >< S+ 0 0 0 -4,-2.7 3,-2.2 2,-0.2 -2,-0.2 0.989 110.1 42.4 -61.2 -60.7 -0.1 1.6 -4.0 17 17 A L H 3< S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.866 108.5 64.2 -53.1 -35.8 2.0 3.3 -6.7 18 18 A H H 3< S+ 0 0 123 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.632 72.0 115.0 -61.8 -19.6 -1.4 4.5 -8.1 19 19 A L X< - 0 0 5 -3,-2.2 3,-0.6 -4,-0.6 -3,-0.0 -0.416 50.4-165.1 -59.4 115.3 -2.0 6.6 -4.9 20 20 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.628 82.7 32.8 -80.6 -13.8 -1.9 10.3 -6.1 21 21 A N T 3 S+ 0 0 52 1,-0.1 2,-0.3 2,-0.0 35,-0.3 -0.113 105.8 71.9-139.4 40.3 -1.6 11.9 -2.7 22 22 A L < + 0 0 2 -3,-0.6 -1,-0.1 -5,-0.1 30,-0.1 -0.929 46.3 128.9-149.7 121.8 0.5 9.5 -0.7 23 23 A N + 0 0 108 -2,-0.3 5,-0.1 -3,-0.0 -1,-0.1 0.499 49.6 72.7-153.3 -19.3 4.2 9.1 -1.6 24 24 A E S > S- 0 0 60 3,-0.1 4,-2.3 4,-0.0 5,-0.1 0.590 107.5 -25.5 -73.4-133.0 6.5 9.5 1.5 25 25 A E H > S+ 0 0 133 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.727 133.8 56.9 -61.3 -30.8 7.1 7.1 4.3 26 26 A Q H > S+ 0 0 39 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.960 107.0 49.6 -69.7 -50.7 3.8 5.4 4.0 27 27 A R H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.926 113.6 47.4 -50.8 -48.4 4.6 4.5 0.4 28 28 A N H X S+ 0 0 84 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.953 111.3 49.2 -57.2 -54.0 8.0 3.2 1.6 29 29 A A H X S+ 0 0 50 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.919 112.6 48.4 -55.4 -47.4 6.4 1.2 4.4 30 30 A F H X S+ 0 0 23 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.939 110.4 49.9 -61.9 -47.9 3.9 -0.3 2.1 31 31 A I H X S+ 0 0 62 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.953 113.1 49.1 -54.4 -46.0 6.5 -1.2 -0.5 32 32 A Q H X S+ 0 0 90 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.929 113.1 44.9 -56.6 -50.6 8.5 -2.8 2.3 33 33 A S H X S+ 0 0 25 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.904 112.0 52.7 -63.1 -42.0 5.5 -4.8 3.6 34 34 A L H < S+ 0 0 1 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.9 49.7 -58.6 -38.4 4.6 -5.8 -0.0 35 35 A K H < S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.866 123.1 28.1 -68.1 -43.9 8.2 -7.1 -0.3 36 36 A D H < S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.874 113.2 62.6 -88.5 -42.4 8.2 -9.1 2.9 37 37 A D < - 0 0 22 -4,-2.9 -1,-0.1 -5,-0.2 0, 0.0 -0.718 56.9-161.1 -96.1 133.5 4.5 -10.2 3.5 38 38 A P S S- 0 0 76 0, 0.0 -29,-0.2 0, 0.0 -1,-0.1 0.991 78.2 -8.7 -71.1 -83.5 2.3 -12.4 1.2 39 39 A S S > S+ 0 0 65 2,-0.1 3,-0.9 1,-0.1 4,-0.4 0.634 117.4 70.9-100.7 -11.2 -1.5 -11.9 1.9 40 40 A Q T >> S+ 0 0 134 1,-0.2 3,-1.8 2,-0.1 4,-1.2 0.914 86.6 72.3 -69.5 -36.2 -1.8 -9.7 5.1 41 41 A S H 3> S+ 0 0 2 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.684 80.0 71.8 -49.8 -27.1 -0.6 -6.7 3.2 42 42 A A H <> S+ 0 0 36 -3,-0.9 4,-2.2 2,-0.2 -1,-0.3 0.911 100.2 46.3 -61.0 -36.9 -3.9 -6.4 1.3 43 43 A N H <> S+ 0 0 110 -3,-1.8 4,-1.8 -4,-0.4 -1,-0.2 0.935 113.1 50.3 -65.9 -41.9 -5.6 -5.2 4.5 44 44 A L H X S+ 0 0 63 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.727 103.7 59.3 -66.2 -21.8 -2.6 -2.9 4.8 45 45 A L H X S+ 0 0 28 -4,-1.4 4,-2.8 2,-0.3 5,-0.2 0.928 103.2 50.6 -70.9 -49.2 -3.2 -1.8 1.2 46 46 A A H X S+ 0 0 53 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.908 110.5 52.3 -55.8 -37.8 -6.6 -0.7 2.3 47 47 A E H X S+ 0 0 115 -4,-1.8 4,-2.2 2,-0.2 -2,-0.3 0.963 106.9 49.5 -64.1 -50.0 -4.7 1.1 5.0 48 48 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 112.2 50.0 -52.7 -44.9 -2.3 2.8 2.6 49 49 A K H X S+ 0 0 66 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.935 110.3 48.5 -61.1 -44.8 -5.3 4.0 0.6 50 50 A K H X S+ 0 0 89 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.812 109.1 54.5 -66.6 -28.6 -7.0 5.3 3.7 51 51 A L H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.942 105.9 51.2 -66.6 -46.8 -3.8 7.1 4.6 52 52 A N H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.960 113.8 45.2 -49.3 -51.3 -3.8 8.7 1.1 53 53 A D H < S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 106.6 60.9 -60.6 -40.0 -7.3 9.8 1.9 54 54 A A H < S+ 0 0 62 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.898 112.2 36.6 -58.5 -44.3 -6.2 10.9 5.5 55 55 A Q H < S+ 0 0 85 -4,-2.4 -2,-0.2 -34,-0.2 -1,-0.2 0.959 139.0 11.8 -74.5 -50.7 -3.8 13.4 4.1 56 56 A A S < S- 0 0 51 -4,-2.7 2,-1.0 -5,-0.3 -3,-0.2 0.658 135.6 -0.9 -92.6-111.3 -6.0 14.5 1.2 57 57 A P 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -3,-0.2 -0.692 360.0 360.0 -86.0 101.2 -9.8 13.3 0.9 58 58 A K 0 0 179 -2,-1.0 -4,-0.1 -4,-0.2 -8,-0.1 -0.433 360.0 360.0 -79.2 360.0 -10.4 11.2 4.0