==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 19-FEB-13 2M5A . COMPND 2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.HARD . 116 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 68.1 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 2 0 1 2 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 0 155 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 140.8 -7.9 -16.9 1.3 2 2 A D > + 0 0 93 1,-0.2 3,-0.7 2,-0.1 4,-0.4 -0.699 360.0 151.8-103.0 80.6 -7.2 -14.7 4.3 3 3 A N T 3 + 0 0 73 -2,-0.9 -1,-0.2 1,-0.2 32,-0.0 0.577 52.9 92.6 -82.7 -10.8 -8.9 -11.4 3.4 4 4 A K T 3 S- 0 0 161 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.614 100.3-121.1 -57.8 -11.9 -9.3 -10.7 7.2 5 5 A F < - 0 0 37 -3,-0.7 -2,-0.1 4,-0.0 -1,-0.1 0.999 33.8-151.9 65.7 74.4 -6.0 -8.9 6.9 6 6 A N > - 0 0 86 -4,-0.4 4,-0.9 1,-0.1 5,-0.1 0.148 28.0 -92.8 -63.0-173.8 -3.9 -10.7 9.4 7 7 A K H >> S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 3,-1.1 0.965 125.2 47.0 -69.9 -55.2 -0.9 -9.2 11.3 8 8 A E H 3> S+ 0 0 149 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.811 109.3 57.8 -57.1 -30.5 1.8 -10.2 8.9 9 9 A Q H 3> S+ 0 0 8 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.813 109.3 44.3 -69.5 -30.7 -0.4 -8.9 6.1 10 10 A Q H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 3,-0.7 0.984 113.6 38.8 -56.9 -64.6 2.2 -3.5 3.7 14 14 A Y H >X S+ 0 0 47 -4,-1.7 4,-2.4 1,-0.3 3,-0.8 0.911 112.3 57.4 -53.8 -49.1 3.9 -0.8 5.8 15 15 A E H 3X S+ 0 0 93 -4,-2.8 4,-0.9 1,-0.3 -1,-0.3 0.835 106.0 51.7 -52.6 -34.7 7.3 -2.4 5.5 16 16 A I H << S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.823 110.9 47.0 -72.1 -31.9 6.9 -2.0 1.7 17 17 A L H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.8 -1,-0.2 0.794 103.6 62.5 -78.6 -29.9 6.0 1.7 2.1 18 18 A H H < S+ 0 0 94 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.812 74.0 110.3 -65.4 -31.6 8.9 2.3 4.4 19 19 A L < - 0 0 18 -4,-0.9 8,-0.1 -5,-0.2 -3,-0.0 -0.264 46.6-176.4 -49.9 112.1 11.4 1.3 1.6 20 20 A P S S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.913 79.6 48.7 -80.3 -46.9 13.1 4.7 0.8 21 21 A N S S+ 0 0 56 31,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.784 96.1 91.0 -64.7 -26.7 15.3 3.6 -2.1 22 22 A L S S- 0 0 3 -6,-0.1 2,-0.1 1,-0.1 30,-0.1 -0.526 75.4-137.6 -73.2 133.5 12.2 1.8 -3.6 23 23 A N > - 0 0 46 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.401 21.3-109.3 -87.6 167.6 10.2 4.0 -6.0 24 24 A E H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 115.9 61.9 -63.5 -37.6 6.4 4.3 -6.2 25 25 A E H > S+ 0 0 169 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.897 113.1 35.5 -55.8 -43.2 6.4 2.5 -9.5 26 26 A Q H > S+ 0 0 44 -3,-0.3 4,-1.6 2,-0.2 3,-0.5 0.923 114.8 55.0 -76.6 -47.3 7.9 -0.6 -7.9 27 27 A R H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.839 105.1 56.1 -54.4 -35.8 6.1 -0.2 -4.6 28 28 A N H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.888 102.4 54.7 -65.1 -40.5 2.8 -0.2 -6.5 29 29 A A H X S+ 0 0 53 -4,-0.9 4,-2.1 -3,-0.5 -1,-0.2 0.883 111.0 45.5 -61.0 -39.8 3.5 -3.5 -8.1 30 30 A F H X S+ 0 0 19 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.938 111.5 50.1 -69.4 -48.3 4.0 -5.1 -4.7 31 31 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.841 110.2 54.8 -58.1 -33.4 0.9 -3.5 -3.2 32 32 A Q H X S+ 0 0 66 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.970 112.6 38.3 -63.8 -56.8 -0.9 -4.8 -6.2 33 33 A S H X S+ 0 0 36 -4,-2.1 4,-1.5 1,-0.2 7,-0.3 0.692 110.9 64.2 -69.3 -19.1 0.1 -8.5 -5.9 34 34 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.922 107.9 38.3 -70.1 -45.0 -0.3 -8.1 -2.1 35 35 A K H < S+ 0 0 38 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.823 120.2 47.0 -74.5 -33.1 -4.0 -7.4 -2.3 36 36 A D H < S+ 0 0 114 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.733 132.2 19.1 -79.5 -23.8 -4.4 -10.0 -5.1 37 37 A D >< + 0 0 69 -4,-1.5 3,-2.0 -5,-0.2 -1,-0.3 -0.593 61.6 174.5-148.9 80.0 -2.3 -12.5 -3.1 38 38 A P G > S+ 0 0 15 0, 0.0 3,-1.0 0, 0.0 4,-0.1 0.649 79.7 72.1 -61.2 -14.2 -2.0 -11.8 0.6 39 39 A S G > S+ 0 0 82 1,-0.3 3,-0.6 2,-0.1 4,-0.2 0.763 91.2 56.0 -72.2 -25.4 -0.2 -15.1 0.8 40 40 A Q G <>>S+ 0 0 74 -3,-2.0 4,-2.5 -7,-0.3 5,-0.7 0.387 71.5 113.0 -85.8 2.0 2.8 -13.6 -0.9 41 41 A S G <45S+ 0 0 17 -3,-1.0 4,-0.4 1,-0.3 -1,-0.2 0.769 85.3 40.2 -44.2 -30.1 2.9 -10.9 1.8 42 42 A A T <>5S+ 0 0 62 -3,-0.6 4,-1.8 3,-0.1 -1,-0.3 0.806 118.3 45.9 -89.9 -34.8 6.2 -12.5 2.8 43 43 A N H >5S+ 0 0 83 -3,-0.2 4,-2.3 -4,-0.2 5,-0.2 0.981 113.7 45.2 -71.4 -60.1 7.5 -13.1 -0.8 44 44 A L H X5S+ 0 0 13 -4,-2.5 4,-1.9 1,-0.2 -3,-0.2 0.851 112.7 55.4 -51.9 -37.2 6.7 -9.7 -2.3 45 45 A L H >> 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 136.3 10.9 9.1 1.4 61 102 B D T 34 + 0 0 89 1,-0.3 -42,-0.0 2,-0.2 -43,-0.0 0.619 360.0 80.0 -65.1 -11.7 9.8 9.3 5.1 62 103 B N T 34 S+ 0 0 144 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.615 101.8 36.2 -70.7 -11.6 10.2 13.1 4.8 63 104 B K T <4 S+ 0 0 84 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.790 126.3 27.8-105.9 -46.8 6.8 13.0 3.1 64 105 B F < + 0 0 4 -4,-1.2 -1,-0.3 1,-0.1 30,-0.0 -0.970 55.9 147.9-123.8 135.5 4.9 10.3 5.0 65 106 B N S S- 0 0 79 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.1 0.612 76.9 -43.5-124.6 -67.9 5.4 9.2 8.6 66 107 B K S > S+ 0 0 139 3,-0.1 4,-2.1 2,-0.0 5,-0.2 0.508 126.3 62.2-135.3 -60.1 2.3 8.0 10.3 67 108 B E H > S+ 0 0 146 1,-0.3 4,-0.8 2,-0.2 -3,-0.1 0.814 114.5 42.6 -42.9 -36.6 -0.7 10.2 9.7 68 109 B T H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.851 107.1 59.2 -80.3 -37.9 -0.2 9.3 6.0 69 110 B Q H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.775 99.9 59.7 -62.2 -26.7 0.4 5.6 6.7 70 111 B E H X S+ 0 0 113 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.931 106.5 44.6 -67.3 -45.8 -3.1 5.5 8.4 71 112 B A H X S+ 0 0 8 -4,-0.8 4,-1.3 -5,-0.2 -2,-0.2 0.786 109.9 58.8 -67.8 -28.0 -4.8 6.5 5.2 72 113 B S H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 3,-0.2 0.940 107.2 43.9 -66.5 -49.1 -2.6 4.1 3.3 73 114 B W H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.896 109.0 57.8 -63.6 -41.4 -3.8 1.1 5.3 74 115 B E H < S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.845 106.1 51.0 -57.6 -34.7 -7.4 2.2 5.0 75 116 B I H >< S+ 0 0 0 -4,-1.3 3,-0.6 -3,-0.2 -1,-0.2 0.842 111.3 46.6 -71.8 -34.6 -7.1 2.2 1.3 76 117 B F H 3< S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.751 101.4 66.1 -79.2 -24.7 -5.7 -1.4 1.3 77 118 B T T 3< S+ 0 0 37 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.555 74.1 108.9 -74.3 -7.1 -8.4 -2.6 3.7 78 119 B L < - 0 0 17 -3,-0.6 3,-0.3 -4,-0.2 8,-0.1 -0.618 50.6-170.3 -74.6 110.9 -11.0 -2.0 0.9 79 120 B P S S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.790 83.0 59.4 -72.8 -28.9 -12.1 -5.4 -0.2 80 121 B N S S+ 0 0 46 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.789 95.9 76.5 -70.3 -27.4 -14.1 -4.1 -3.2 81 122 B L S S- 0 0 0 -3,-0.3 30,-0.0 -6,-0.1 26,-0.0 -0.681 76.2-141.8 -88.6 138.1 -10.9 -2.5 -4.6 82 123 B N > - 0 0 88 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.026 34.7 -90.1 -82.0-169.5 -8.3 -4.7 -6.3 83 124 B G H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -50,-0.1 0.833 125.6 51.9 -73.7 -32.4 -4.5 -4.5 -6.0 84 125 B R H > S+ 0 0 180 2,-0.2 4,-0.6 -52,-0.2 -1,-0.2 0.922 111.2 45.6 -69.3 -46.5 -4.4 -2.1 -9.0 85 126 B Q H >> S+ 0 0 37 2,-0.2 4,-1.0 1,-0.2 3,-0.8 0.946 117.0 43.3 -63.4 -50.6 -6.9 0.3 -7.7 86 127 B V H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.3 3,-1.1 0.934 108.9 56.8 -62.4 -47.2 -5.5 0.5 -4.1 87 128 B A H 3X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.3 -1,-0.3 0.679 105.9 55.2 -58.7 -15.6 -1.9 0.7 -5.4 88 129 B A H < S+ 0 0 0 -4,-0.9 3,-0.7 2,-0.2 -2,-0.2 0.981 109.4 38.9 -65.1 -60.0 -0.8 9.3 -1.1 94 135 B L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.748 120.4 48.9 -63.5 -24.2 2.9 9.1 -0.6 95 136 B D H 3< S+ 0 0 78 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.653 128.2 23.1 -88.5 -18.3 3.4 11.5 -3.5 96 137 B D X< + 0 0 62 -4,-1.1 3,-1.4 -3,-0.7 -1,-0.2 -0.478 62.4 170.6-148.1 69.4 0.8 13.9 -2.1 97 138 B P T 3 S+ 0 0 42 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.536 78.1 69.8 -58.7 -5.2 0.4 13.5 1.7 98 139 B S T 3 S+ 0 0 89 1,-0.2 3,-0.5 2,-0.1 4,-0.1 0.880 98.6 43.6 -80.0 -41.8 -1.7 16.7 1.5 99 140 B Q S <> S+ 0 0 90 -3,-1.4 4,-3.1 -7,-0.2 5,-0.3 0.083 78.1 121.8 -90.6 22.9 -4.6 15.1 -0.3 100 141 B S H > S+ 0 0 16 -3,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.884 77.6 44.2 -51.6 -44.6 -4.5 12.1 2.0 101 142 B A H > S+ 0 0 74 -3,-0.5 4,-0.9 2,-0.2 -1,-0.3 0.786 116.2 47.6 -72.7 -27.9 -8.1 12.6 3.1 102 143 B N H > S+ 0 0 87 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.789 114.0 46.9 -81.7 -29.6 -9.1 13.3 -0.5 103 144 B L H X S+ 0 0 21 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.842 115.0 45.0 -79.0 -37.4 -7.3 10.2 -1.8 104 145 B L H X S+ 0 0 23 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.785 112.4 54.9 -74.8 -28.2 -8.7 8.0 1.0 105 146 B A H X S+ 0 0 41 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.955 108.6 45.7 -67.8 -51.0 -12.1 9.6 0.3 106 147 B E H X S+ 0 0 112 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.917 110.0 55.8 -56.7 -46.6 -12.0 8.7 -3.4 107 148 B A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.897 109.2 46.5 -52.3 -44.9 -10.8 5.2 -2.4 108 149 B K H X S+ 0 0 106 -4,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.844 110.2 53.3 -67.7 -35.0 -13.9 4.9 -0.2 109 150 B K H X S+ 0 0 136 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.815 112.2 45.7 -69.7 -30.2 -16.1 6.2 -3.0 110 151 B L H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.922 112.9 48.6 -76.7 -48.2 -14.7 3.6 -5.4 111 152 B N H X S+ 0 0 24 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.962 115.0 43.7 -54.8 -57.2 -15.0 0.7 -2.9 112 153 B D H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 109.9 61.9 -61.8 -24.6 -18.6 1.6 -2.0 113 154 B A H < S+ 0 0 67 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.2 0.979 114.4 28.9 -65.9 -58.2 -19.2 2.1 -5.8 114 155 B Q H < S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.0 -2,-0.2 0.593 101.5 118.4 -78.0 -11.2 -18.4 -1.4 -6.9 115 156 B A S < S- 0 0 15 -4,-1.5 -3,-0.1 -5,-0.3 -4,-0.0 -0.059 78.3-111.1 -52.8 156.8 -19.6 -2.6 -3.4 116 157 B P 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.982 360.0 360.0 -54.9 -67.5 -22.6 -5.0 -3.3 117 158 B K 0 0 236 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.969 360.0 360.0 -69.1 360.0 -25.1 -2.6 -1.7