==== 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 22-JUL-96 1EDK . 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) . 4038.0 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 . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.9 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 84 0, 0.0 3,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -51.2 -14.2 6.2 -1.6 2 2 A Q T 3 - 0 0 150 1,-0.3 3,-0.1 5,-0.1 5,-0.0 -0.316 360.0 -30.1 -54.0 103.2 -16.6 4.0 -3.6 3 3 A H T 3 S+ 0 0 150 -2,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.756 96.8 165.9 45.1 35.8 -14.5 3.1 -6.7 4 4 A D <> - 0 0 75 -3,-2.2 4,-2.8 1,-0.1 5,-0.3 -0.557 42.6-127.8 -75.7 140.9 -12.8 6.5 -6.3 5 5 A E H > S+ 0 0 157 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.898 107.6 42.3 -61.0 -47.6 -9.6 6.8 -8.4 6 6 A A H > S+ 0 0 67 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.907 116.3 50.3 -64.5 -43.3 -7.3 8.0 -5.5 7 7 A Q H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.957 114.5 40.7 -60.9 -56.8 -8.9 5.4 -3.1 8 8 A Q H X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.847 113.4 55.9 -64.5 -35.6 -8.5 2.3 -5.4 9 9 A N H X S+ 0 0 65 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.910 105.4 52.3 -59.9 -45.0 -5.1 3.5 -6.5 10 10 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.954 113.2 43.0 -58.1 -52.3 -3.9 3.6 -2.8 11 11 A F H X S+ 0 0 58 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.930 114.9 50.6 -55.2 -51.6 -5.1 0.0 -2.2 12 12 A Y H X S+ 0 0 141 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.901 112.0 46.1 -56.1 -48.3 -3.6 -1.2 -5.6 13 13 A Q H < S+ 0 0 68 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.913 108.8 54.8 -66.5 -43.3 -0.2 0.4 -4.9 14 14 A V H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.899 113.9 43.2 -55.6 -42.4 0.0 -0.9 -1.3 15 15 A L H < S+ 0 0 73 -4,-2.1 2,-1.9 1,-0.2 -2,-0.2 0.957 109.2 58.9 -62.9 -53.1 -0.6 -4.4 -2.8 16 16 A N S < S+ 0 0 93 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.436 74.9 110.4 -83.7 64.2 1.8 -3.9 -5.7 17 17 A M > - 0 0 8 -2,-1.9 3,-1.0 -3,-0.4 8,-0.1 -0.899 49.2-166.8-135.6 100.9 4.9 -3.2 -3.6 18 18 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.667 82.3 58.4 -70.8 -19.2 7.3 -6.1 -4.0 19 19 A N T 3 S+ 0 0 46 2,-0.1 2,-0.2 35,-0.0 32,-0.0 0.640 89.2 87.8 -89.0 -15.2 9.6 -5.2 -1.1 20 20 A L S < S- 0 0 14 -3,-1.0 2,-0.1 -6,-0.1 -3,-0.1 -0.605 73.6-137.9 -75.4 143.9 6.8 -5.4 1.5 21 21 A N > - 0 0 71 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.438 31.7 -95.3 -89.7 173.1 6.0 -8.8 3.0 22 22 A A H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.931 122.8 50.3 -55.2 -53.9 2.4 -10.1 3.6 23 23 A D H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 113.0 47.2 -54.3 -46.9 2.1 -8.9 7.2 24 24 A Q H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 115.0 42.4 -60.1 -58.3 3.3 -5.4 6.3 25 25 A R H X S+ 0 0 92 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.885 115.7 49.7 -64.3 -38.6 1.1 -4.8 3.3 26 26 A N H X S+ 0 0 84 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.916 108.9 54.3 -61.2 -44.1 -2.0 -6.3 5.0 27 27 A G H X S+ 0 0 35 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.933 110.9 44.8 -53.0 -51.2 -1.2 -4.1 8.0 28 28 A F H X S+ 0 0 32 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 111.0 54.0 -60.3 -45.7 -1.3 -1.0 5.7 29 29 A I H X S+ 0 0 25 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.919 109.7 47.3 -55.9 -48.4 -4.5 -2.3 4.0 30 30 A Q H X S+ 0 0 101 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.932 111.8 50.2 -58.9 -47.2 -6.3 -2.6 7.3 31 31 A S H X S+ 0 0 48 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.867 110.4 51.5 -56.7 -38.9 -5.1 0.9 8.3 32 32 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.916 110.6 46.9 -63.9 -47.7 -6.4 2.2 4.9 33 33 A K H < S+ 0 0 124 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.3 46.5 -60.8 -44.1 -9.8 0.6 5.6 34 34 A D H < S+ 0 0 113 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.904 126.4 28.1 -63.8 -45.6 -9.9 2.0 9.1 35 35 A D >< + 0 0 59 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.3 -0.729 57.7 161.4-125.3 78.8 -8.8 5.5 8.0 36 36 A P G > S+ 0 0 66 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.790 82.4 65.7 -65.1 -26.1 -9.8 6.3 4.3 37 37 A S G 3 S+ 0 0 104 1,-0.3 3,-0.3 -3,-0.1 4,-0.1 0.861 103.2 46.2 -55.0 -38.7 -9.2 9.9 5.4 38 38 A Q G <> S+ 0 0 89 -3,-0.8 4,-2.6 -7,-0.2 -1,-0.3 -0.106 74.1 121.3-100.9 33.1 -5.5 8.9 5.8 39 39 A S H <> S+ 0 0 16 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.948 77.9 48.1 -57.0 -51.1 -5.3 7.0 2.4 40 40 A A H > S+ 0 0 81 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.875 113.1 48.0 -58.1 -43.2 -2.5 9.3 1.3 41 41 A N H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.956 112.8 46.7 -63.1 -53.4 -0.6 8.9 4.6 42 42 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 -7,-0.2 -2,-0.2 0.894 113.4 50.3 -56.2 -44.6 -0.9 5.0 4.6 43 43 A L H X S+ 0 0 36 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.949 111.8 48.0 -55.8 -53.6 0.2 5.0 0.9 44 44 A G H X S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 112.8 47.5 -55.2 -49.5 3.2 7.2 1.8 45 45 A E H X S+ 0 0 88 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.903 112.7 49.3 -60.0 -45.8 4.2 5.0 4.7 46 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.915 112.3 47.7 -60.6 -45.9 3.8 1.8 2.6 47 47 A Q H X S+ 0 0 89 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.880 112.4 50.2 -62.1 -41.3 6.0 3.3 -0.2 48 48 A K H X S+ 0 0 140 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.919 112.3 45.9 -63.4 -46.2 8.6 4.4 2.4 49 49 A L H X S+ 0 0 60 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.901 113.9 49.4 -66.3 -40.8 8.7 0.9 4.0 50 50 A N H < S+ 0 0 16 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.943 112.7 47.8 -57.4 -51.5 8.9 -0.7 0.5 51 51 A D H >< S+ 0 0 102 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.910 110.1 50.9 -58.9 -47.9 11.7 1.7 -0.5 52 52 A S H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.8 50.3 -60.5 -33.9 13.7 1.1 2.7 53 53 A Q T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.242 81.4 128.5 -89.5 11.4 13.5 -2.7 2.1 54 54 A A < - 0 0 28 -3,-1.8 -3,-0.1 1,-0.1 -4,-0.0 -0.542 63.3-134.9 -67.8 129.0 14.7 -2.3 -1.5 55 55 A P 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.900 360.0 360.0 -48.2 -49.7 17.6 -4.8 -2.2 56 56 A K 0 0 240 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.969 360.0 360.0-108.9 360.0 19.5 -1.9 -3.9