==== 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 1EDL . 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) . 4024.0 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 . 3 5.4 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 . 30 53.6 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 1 0 0 0 0 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 54 0, 0.0 2,-2.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -56.7 -15.1 3.5 -3.6 2 2 A Q T 4 + 0 0 186 2,-0.1 2,-0.2 3,-0.1 0, 0.0 -0.452 360.0 61.6 -78.9 71.5 -18.4 5.2 -4.5 3 3 A H T 4 S- 0 0 95 -2,-2.2 2,-2.0 0, 0.0 3,-0.3 -0.814 115.1 -45.0-161.1-161.3 -17.2 8.8 -4.2 4 4 A D T >> S+ 0 0 105 -2,-0.2 3,-1.8 1,-0.2 4,-0.7 -0.361 71.1 155.1 -77.1 56.7 -14.6 11.1 -5.7 5 5 A E T 3< + 0 0 60 -2,-2.0 7,-0.2 -4,-0.5 -1,-0.2 0.721 57.4 76.2 -63.8 -23.1 -12.1 8.2 -5.5 6 6 A A T >4 S+ 0 0 72 -3,-0.3 3,-0.6 1,-0.2 -1,-0.3 0.788 95.0 51.4 -54.2 -32.3 -10.0 9.7 -8.4 7 7 A Q T <4 S+ 0 0 147 -3,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.970 117.3 34.7 -70.7 -56.4 -8.7 12.3 -5.9 8 8 A Q T 3X S+ 0 0 49 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 -0.132 81.9 133.6 -90.2 37.0 -7.6 9.8 -3.2 9 9 A N H <> + 0 0 73 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.853 65.7 53.4 -59.8 -42.4 -6.6 7.3 -5.9 10 10 A A H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.948 112.1 44.6 -59.5 -51.4 -3.1 6.4 -4.4 11 11 A F H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 114.2 50.5 -56.1 -48.8 -4.7 5.6 -1.0 12 12 A Y H X S+ 0 0 64 -4,-2.4 4,-2.7 -7,-0.2 -2,-0.2 0.891 109.6 50.4 -58.1 -45.1 -7.5 3.6 -2.7 13 13 A Q H < S+ 0 0 80 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.925 108.1 52.2 -61.4 -47.2 -5.0 1.6 -4.8 14 14 A V H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.893 112.7 46.0 -58.0 -42.0 -2.9 0.7 -1.7 15 15 A L H < S+ 0 0 70 -4,-2.1 2,-1.9 1,-0.2 -2,-0.2 0.953 106.8 60.8 -59.8 -51.6 -6.1 -0.6 0.0 16 16 A N S < S+ 0 0 95 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.439 75.2 113.4 -83.7 64.8 -7.1 -2.5 -3.2 17 17 A M - 0 0 14 -2,-1.9 3,-0.3 -3,-0.4 8,-0.1 -0.981 53.7-155.5-132.7 120.1 -4.1 -4.8 -3.3 18 18 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.804 88.2 48.4 -70.4 -33.6 -4.9 -8.5 -2.7 19 19 A N S S+ 0 0 43 2,-0.1 2,-0.3 0, 0.0 32,-0.0 0.656 89.9 93.7 -89.3 -17.7 -1.5 -9.8 -1.4 20 20 A L - 0 0 11 -3,-0.3 2,-0.1 -6,-0.1 -3,-0.1 -0.572 67.4-143.8 -72.0 137.7 -0.9 -7.0 1.1 21 21 A N > - 0 0 75 -2,-0.3 4,-2.5 1,-0.0 5,-0.3 -0.419 31.8 -93.5 -89.6 173.7 -2.1 -7.8 4.7 22 22 A A H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.932 123.5 50.0 -54.0 -56.9 -3.6 -5.2 7.1 23 23 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 115.3 45.3 -51.1 -47.5 -0.4 -4.2 8.8 24 24 A Q H > S+ 0 0 36 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.984 117.1 39.8 -60.9 -64.8 1.4 -3.6 5.4 25 25 A R H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.900 120.3 45.2 -58.9 -44.9 -1.4 -1.7 3.6 26 26 A N H X S+ 0 0 69 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.900 112.5 52.3 -64.3 -42.8 -2.3 0.4 6.7 27 27 A G H X S+ 0 0 32 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.931 111.7 45.6 -57.2 -49.7 1.4 1.1 7.5 28 28 A F H X S+ 0 0 54 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.895 111.4 53.1 -61.9 -42.9 2.0 2.3 3.9 29 29 A I H X S+ 0 0 20 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.931 109.5 48.2 -57.7 -48.0 -1.2 4.4 4.0 30 30 A Q H X S+ 0 0 115 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.860 109.8 52.9 -61.9 -36.6 0.0 6.1 7.3 31 31 A S H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 110.1 48.6 -62.5 -40.0 3.4 6.6 5.6 32 32 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.934 112.2 47.5 -64.5 -48.7 1.6 8.4 2.8 33 33 A K H < S+ 0 0 121 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 113.7 48.9 -57.0 -45.1 -0.4 10.5 5.2 34 34 A D H < S+ 0 0 140 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.873 126.6 25.7 -62.2 -42.4 2.8 11.4 7.1 35 35 A D >< + 0 0 65 -4,-2.2 3,-1.2 -5,-0.1 -1,-0.3 -0.762 67.4 177.1-129.0 82.9 4.6 12.3 3.8 36 36 A P G > S+ 0 0 92 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.823 77.7 64.1 -52.9 -40.0 2.1 13.4 1.1 37 37 A S G 3 S+ 0 0 97 1,-0.3 3,-0.4 2,-0.1 2,-0.4 0.792 93.6 62.4 -59.6 -30.5 4.9 14.3 -1.4 38 38 A Q G <> + 0 0 79 -3,-1.2 4,-2.5 1,-0.2 -1,-0.3 -0.169 67.3 121.0 -89.6 39.9 5.9 10.6 -1.5 39 39 A S H <> S+ 0 0 40 -3,-0.9 4,-2.6 -2,-0.4 -1,-0.2 0.976 78.2 39.9 -65.4 -57.3 2.5 9.5 -2.9 40 40 A A H > S+ 0 0 78 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.862 117.5 51.6 -59.6 -40.4 3.9 7.9 -6.1 41 41 A N H > S+ 0 0 85 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.968 112.6 42.7 -61.3 -57.9 6.8 6.5 -4.2 42 42 A V H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 115.4 51.1 -57.5 -43.9 4.7 4.8 -1.5 43 43 A L H X S+ 0 0 32 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.919 111.6 47.2 -58.4 -48.1 2.2 3.6 -4.2 44 44 A G H X S+ 0 0 38 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 114.0 46.3 -59.4 -49.7 5.1 2.1 -6.3 45 45 A E H X S+ 0 0 104 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.826 111.4 53.0 -64.5 -34.3 6.6 0.4 -3.2 46 46 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.3 47.1 -65.1 -45.7 3.2 -0.9 -2.2 47 47 A Q H X S+ 0 0 96 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.870 113.3 49.3 -63.0 -38.9 2.6 -2.4 -5.6 48 48 A K H X S+ 0 0 121 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 110.9 49.1 -64.2 -46.5 6.1 -3.9 -5.5 49 49 A L H X S+ 0 0 42 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.867 113.9 47.0 -61.0 -40.2 5.4 -5.4 -2.0 50 50 A N H < S+ 0 0 14 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.940 112.2 50.0 -63.0 -50.7 2.1 -6.8 -3.3 51 51 A D H >< S+ 0 0 99 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.897 108.5 51.3 -58.2 -47.3 3.8 -8.2 -6.4 52 52 A S H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.4 50.7 -60.3 -33.0 6.6 -10.0 -4.4 53 53 A Q T 3< S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.247 81.5 126.1 -89.8 11.0 3.9 -11.6 -2.2 54 54 A A < - 0 0 25 -3,-1.7 -3,-0.0 1,-0.1 -4,-0.0 -0.581 56.8-145.8 -69.7 126.4 2.0 -12.8 -5.3 55 55 A P 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.917 360.0 360.0 -53.7 -49.9 1.3 -16.6 -5.0 56 56 A K 0 0 244 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.449 360.0 360.0 56.4 360.0 1.7 -17.2 -8.8