==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 06-OCT-05 2B88 . COMPND 2 MOLECULE: ZTAQ AFFIBODY; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.LENDEL,J.DOGAN,T.HARD . 58 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 75.9 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 . 2 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 15.5 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 1 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 V 0 0 188 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 11.7 -16.8 -0.6 2 2 A D - 0 0 105 1,-0.0 5,-0.0 0, 0.0 3,-0.0 -0.971 360.0-128.9-143.8 157.4 11.9 -15.7 3.1 3 3 A N S S+ 0 0 129 -2,-0.3 2,-0.6 1,-0.1 3,-0.1 0.361 95.0 79.4 -86.4 5.2 10.4 -16.5 6.5 4 4 A K > + 0 0 106 1,-0.1 3,-1.0 2,-0.0 4,-0.2 -0.848 46.9 168.8-118.0 94.1 9.7 -12.8 7.0 5 5 A F T >> + 0 0 104 -2,-0.6 3,-1.4 1,-0.2 4,-0.7 0.672 69.0 82.4 -74.5 -17.8 6.5 -11.8 5.0 6 6 A N H 3> S+ 0 0 87 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.750 74.4 73.8 -57.6 -26.9 6.6 -8.5 6.9 7 7 A K H <> S+ 0 0 106 -3,-1.0 4,-1.7 1,-0.3 -1,-0.3 0.870 92.7 53.6 -56.9 -37.7 9.2 -7.3 4.4 8 8 A E H <> S+ 0 0 61 -3,-1.4 4,-3.0 1,-0.2 -1,-0.3 0.836 106.5 52.8 -65.6 -33.4 6.4 -6.9 1.8 9 9 A L H X S+ 0 0 25 -4,-0.7 4,-1.9 -3,-0.5 -1,-0.2 0.847 109.2 47.6 -71.8 -33.3 4.5 -4.8 4.3 10 10 A G H X S+ 0 0 50 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.810 114.1 51.2 -73.9 -29.4 7.5 -2.5 4.8 11 11 A W H X S+ 0 0 117 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.946 115.7 36.0 -71.3 -54.5 7.7 -2.4 1.0 12 12 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.4 0.817 109.1 64.4 -71.1 -33.3 4.1 -1.5 0.2 13 13 A T H X S+ 0 0 33 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.952 110.6 36.2 -59.3 -48.9 3.6 0.8 3.2 14 14 A W H X S+ 0 0 109 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.885 116.8 55.1 -69.9 -38.9 6.2 3.3 2.0 15 15 A E H < S+ 0 0 50 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.933 115.1 38.5 -57.7 -48.1 5.2 2.7 -1.7 16 16 A I H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.2 6,-0.2 0.912 114.4 54.3 -68.4 -43.9 1.6 3.5 -1.0 17 17 A F H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.694 95.3 70.5 -63.6 -19.2 2.6 6.3 1.4 18 18 A N T 3< S+ 0 0 102 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.247 73.1 116.1 -83.8 14.8 4.7 7.7 -1.5 19 19 A L X - 0 0 23 -3,-1.6 3,-0.5 1,-0.1 8,-0.1 -0.726 64.2-144.7 -87.3 126.0 1.5 8.7 -3.2 20 20 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.426 95.7 39.9 -71.0 1.5 1.1 12.4 -3.6 21 21 A N T 3 S+ 0 0 36 2,-0.1 -3,-0.0 35,-0.0 28,-0.0 0.501 89.3 105.6-126.8 -8.7 -2.7 12.3 -3.0 22 22 A L < - 0 0 27 -3,-0.5 2,-0.3 -6,-0.2 26,-0.0 -0.281 51.6-151.4 -71.6 162.2 -3.2 9.8 -0.2 23 23 A N > - 0 0 60 -2,-0.0 4,-2.7 1,-0.0 3,-0.4 -0.840 37.9 -95.2-126.9 161.2 -4.1 10.6 3.3 24 24 A G H > S+ 0 0 43 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.745 125.2 56.2 -48.6 -25.4 -3.3 8.7 6.5 25 25 A V H > S+ 0 0 106 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.947 112.3 36.8 -73.7 -51.0 -6.8 7.1 6.1 26 26 A Q H > S+ 0 0 36 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.913 118.1 49.7 -69.4 -44.4 -6.3 5.7 2.6 27 27 A V H >X S+ 0 0 3 -4,-2.7 4,-3.8 1,-0.2 3,-0.5 0.965 110.9 49.7 -58.9 -51.5 -2.7 4.7 3.1 28 28 A K H 3X S+ 0 0 112 -4,-1.4 4,-3.1 -5,-0.3 -1,-0.2 0.836 106.6 57.6 -55.0 -35.1 -3.5 2.9 6.3 29 29 A A H 3X S+ 0 0 38 -4,-1.4 4,-2.3 2,-0.2 -1,-0.3 0.919 112.6 39.1 -62.1 -42.5 -6.3 1.2 4.5 30 30 A F H S+ 0 0 27 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.790 91.5 57.7 -74.0 -29.1 1.5 -9.3 2.0 39 39 A S T > S+ 0 0 98 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.784 98.2 61.8 -71.3 -28.2 1.5 -10.7 -1.6 40 40 A Q T >> + 0 0 72 1,-0.2 4,-2.8 -7,-0.2 3,-1.8 0.540 69.2 109.3 -74.1 -8.3 -1.2 -8.1 -2.5 41 41 A S H <> S+ 0 0 14 -3,-1.0 4,-2.5 1,-0.3 -1,-0.2 0.805 79.6 49.2 -39.0 -41.9 1.2 -5.3 -1.7 42 42 A A H <> S+ 0 0 61 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.864 113.5 46.1 -67.3 -35.6 1.4 -4.5 -5.4 43 43 A N H <> S+ 0 0 65 -3,-1.8 4,-3.8 2,-0.3 5,-0.2 0.876 111.5 50.9 -71.5 -39.1 -2.4 -4.6 -5.6 44 44 A L H X S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.3 -2,-0.2 0.898 111.0 49.7 -64.5 -37.2 -2.7 -2.5 -2.5 45 45 A L H X S+ 0 0 4 -4,-2.5 4,-3.2 -5,-0.4 -2,-0.3 0.897 111.0 49.6 -62.5 -43.6 -0.2 -0.2 -4.3 46 46 A A H X S+ 0 0 31 -4,-1.9 4,-2.4 2,-0.3 -2,-0.3 0.928 112.2 45.6 -61.9 -47.1 -2.6 -0.5 -7.3 47 47 A E H X S+ 0 0 65 -4,-3.8 4,-2.6 1,-0.2 -1,-0.2 0.828 112.8 53.1 -64.2 -32.8 -5.5 0.4 -5.1 48 48 A A H X S+ 0 0 0 -4,-2.2 4,-4.0 2,-0.2 -2,-0.3 0.921 107.6 48.5 -68.7 -44.6 -3.3 3.1 -3.7 49 49 A K H X S+ 0 0 90 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.885 113.2 50.7 -61.1 -37.1 -2.6 4.4 -7.2 50 50 A K H X S+ 0 0 118 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.897 113.4 42.8 -66.5 -42.5 -6.3 4.2 -7.7 51 51 A L H X S+ 0 0 49 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.921 116.0 48.6 -70.5 -42.5 -7.0 6.1 -4.5 52 52 A N H < S+ 0 0 23 -4,-4.0 4,-0.4 2,-0.2 -2,-0.2 0.924 111.9 49.4 -60.2 -45.3 -4.2 8.6 -5.2 53 53 A D H >< S+ 0 0 87 -4,-3.1 3,-0.6 -5,-0.2 5,-0.3 0.886 111.8 49.4 -60.1 -39.3 -5.7 9.0 -8.7 54 54 A A H 3< S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 115.4 42.7 -68.2 -34.9 -9.0 9.5 -7.1 55 55 A Q T 3< S+ 0 0 75 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.365 95.9 114.4 -92.1 3.9 -7.5 12.0 -4.7 56 56 A A S < S- 0 0 16 -3,-0.6 2,-0.6 -4,-0.4 -3,-0.1 -0.206 86.0-102.3 -71.3 163.8 -5.5 13.5 -7.6 57 57 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.037 360.0 360.0 -79.9 34.4 -6.1 17.1 -8.9 58 58 A K 0 0 183 -2,-0.6 -4,-0.1 -5,-0.3 -3,-0.1 0.908 360.0 360.0 -79.8 360.0 -8.1 15.7 -11.9