==== 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 2B89 . COMPND 2 MOLECULE: ANTI-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) . 3980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 70.7 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 0 1 1 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 0 192 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 0.6 -12.3 16.6 2 2 A D - 0 0 102 1,-0.4 2,-0.3 0, 0.0 0, 0.0 0.210 360.0 -2.3-161.4 -54.5 -2.7 -13.1 14.8 3 3 A N > - 0 0 98 0, 0.0 3,-0.6 0, 0.0 -1,-0.4 -0.927 64.6-108.4-146.3 168.6 -2.2 -13.2 11.0 4 4 A K T 3> S+ 0 0 175 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.431 96.9 95.9 -79.9 1.8 0.5 -12.7 8.4 5 5 A F H 3> S+ 0 0 76 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.933 79.3 49.3 -54.7 -55.9 -1.4 -9.5 7.5 6 6 A N H <> S+ 0 0 75 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.917 112.3 47.6 -54.9 -47.8 0.8 -7.2 9.6 7 7 A K H > S+ 0 0 130 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.915 117.1 42.9 -60.6 -42.9 4.0 -8.6 8.2 8 8 A E H X S+ 0 0 75 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.865 117.6 48.5 -68.3 -36.2 2.7 -8.3 4.7 9 9 A R H X S+ 0 0 53 -4,-3.4 4,-4.4 -5,-0.2 5,-0.4 0.792 105.8 55.5 -73.4 -33.9 1.3 -4.9 5.6 10 10 A V H X S+ 0 0 91 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.949 114.1 41.2 -63.8 -48.6 4.5 -3.6 7.2 11 11 A I H X S+ 0 0 93 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.921 123.4 39.8 -61.5 -48.3 6.4 -4.4 4.1 12 12 A A H X S+ 0 0 3 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.916 116.1 47.2 -71.4 -47.6 3.5 -3.0 2.0 13 13 A I H X S+ 0 0 59 -4,-4.4 4,-3.7 1,-0.2 5,-0.2 0.906 114.4 50.7 -61.3 -38.1 2.5 -0.0 4.1 14 14 A G H X S+ 0 0 41 -4,-2.2 4,-0.7 -5,-0.4 -1,-0.2 0.874 113.3 45.0 -65.4 -37.7 6.2 0.7 4.2 15 15 A E H X S+ 0 0 69 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.923 120.0 40.0 -70.3 -46.7 6.3 0.4 0.4 16 16 A I H >< S+ 0 0 0 -4,-3.8 3,-0.8 1,-0.2 -2,-0.2 0.865 110.3 56.5 -71.0 -40.2 3.2 2.4 -0.1 17 17 A M H 3< S+ 0 0 75 -4,-3.7 -1,-0.2 -5,-0.3 -2,-0.2 0.739 99.8 63.6 -65.4 -20.5 3.9 5.0 2.5 18 18 A R H 3< S+ 0 0 209 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.842 73.4 110.9 -69.3 -36.0 7.2 5.7 0.7 19 19 A L << - 0 0 16 -3,-0.8 8,-0.1 -4,-0.6 -3,-0.0 -0.193 51.1-168.5 -45.7 105.0 5.3 6.9 -2.4 20 20 A P S S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.566 78.8 51.5 -76.5 -11.3 6.0 10.7 -2.4 21 21 A N S S+ 0 0 50 2,-0.1 31,-0.1 35,-0.0 6,-0.1 0.936 86.6 85.9 -89.7 -61.4 3.3 11.4 -5.1 22 22 A L S S- 0 0 11 26,-0.2 2,-0.2 1,-0.1 30,-0.1 0.092 80.3-113.3 -39.9 150.4 0.1 9.9 -3.8 23 23 A N > - 0 0 61 1,-0.1 4,-3.4 4,-0.0 3,-0.4 -0.491 33.6-103.9 -84.0 156.0 -2.1 11.8 -1.4 24 24 A S H > S+ 0 0 85 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.851 123.4 57.2 -50.6 -35.5 -2.4 10.5 2.1 25 25 A L H > S+ 0 0 129 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.943 111.6 39.7 -61.9 -47.8 -5.8 9.2 1.1 26 26 A Q H > S+ 0 0 55 -3,-0.4 4,-2.0 2,-0.3 -2,-0.2 0.933 116.6 50.9 -65.1 -43.6 -4.4 7.2 -1.7 27 27 A V H X S+ 0 0 12 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.913 117.8 39.5 -56.9 -43.6 -1.5 6.3 0.5 28 28 A V H X S+ 0 0 57 -4,-3.6 4,-2.8 -5,-0.3 -2,-0.3 0.821 105.5 66.4 -73.0 -35.1 -4.0 5.3 3.1 29 29 A A H X S+ 0 0 31 -4,-3.2 4,-1.7 1,-0.3 -2,-0.2 0.870 103.5 48.0 -54.3 -37.1 -6.3 3.8 0.4 30 30 A F H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.3 -1,-0.3 0.886 104.1 56.8 -72.4 -39.0 -3.5 1.3 -0.0 31 31 A I H X S+ 0 0 44 -4,-1.1 4,-1.2 1,-0.3 -2,-0.2 0.916 111.4 47.2 -56.2 -39.0 -3.3 0.7 3.7 32 32 A N H X S+ 0 0 60 -4,-2.8 4,-2.1 1,-0.2 -2,-0.3 0.848 107.4 54.4 -68.4 -37.4 -7.0 -0.1 3.3 33 33 A S H X S+ 0 0 31 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.852 101.4 60.5 -66.4 -34.7 -6.3 -2.4 0.3 34 34 A L H < S+ 0 0 0 -4,-2.4 7,-0.2 2,-0.2 -1,-0.2 0.925 110.8 38.9 -59.0 -46.4 -3.8 -4.4 2.3 35 35 A R H < S+ 0 0 109 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.4 55.2 -72.1 -34.8 -6.4 -5.4 4.9 36 36 A D H < S- 0 0 107 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 138.0 -1.5 -67.0 -20.4 -8.9 -5.8 2.1 37 37 A D < + 0 0 64 -4,-1.2 -1,-0.3 -5,-0.2 3,-0.3 -0.490 59.9 176.8-172.6 93.7 -6.3 -8.2 0.6 38 38 A P S > S+ 0 0 17 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.828 88.2 61.8 -71.0 -30.8 -2.9 -8.9 2.2 39 39 A S T 3 S+ 0 0 101 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.833 108.4 43.6 -63.0 -31.6 -2.1 -11.4 -0.5 40 40 A Q T 3> S+ 0 0 79 -3,-0.3 4,-2.8 -7,-0.2 3,-0.4 0.328 81.6 102.7 -95.3 7.0 -2.4 -8.4 -2.9 41 41 A S H <> S+ 0 0 4 -3,-1.5 4,-1.5 1,-0.3 -1,-0.2 0.868 84.4 51.9 -55.3 -33.8 -0.4 -6.2 -0.6 42 42 A A H > S+ 0 0 65 -3,-0.5 4,-0.9 -4,-0.4 -1,-0.3 0.834 111.1 45.0 -69.4 -36.4 2.4 -6.9 -3.1 43 43 A N H > S+ 0 0 66 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.780 105.7 64.3 -73.4 -34.3 0.1 -5.9 -6.0 44 44 A L H X S+ 0 0 7 -4,-2.8 4,-4.3 2,-0.3 -2,-0.2 0.902 102.4 43.8 -64.5 -41.2 -1.0 -2.9 -4.1 45 45 A L H X S+ 0 0 9 -4,-1.5 4,-5.1 2,-0.2 5,-0.3 0.875 112.9 56.3 -69.0 -31.2 2.4 -1.2 -4.0 46 46 A A H X S+ 0 0 26 -4,-0.9 4,-1.7 2,-0.2 -2,-0.3 0.937 114.0 37.8 -59.7 -43.8 2.5 -2.2 -7.6 47 47 A E H X S+ 0 0 68 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.924 118.7 49.7 -68.1 -48.4 -0.7 -0.3 -8.0 48 48 A A H X S+ 0 0 0 -4,-4.3 4,-4.1 2,-0.3 -2,-0.2 0.910 110.4 48.4 -58.8 -47.1 0.5 2.3 -5.7 49 49 A K H X S+ 0 0 87 -4,-5.1 4,-2.2 2,-0.2 -1,-0.2 0.890 115.1 46.6 -62.5 -35.9 3.8 2.7 -7.5 50 50 A K H X S+ 0 0 121 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.3 0.864 115.3 46.9 -70.4 -35.8 1.6 2.9 -10.6 51 51 A L H X>S+ 0 0 44 -4,-3.0 4,-3.6 2,-0.2 5,-0.6 0.884 110.4 51.8 -69.4 -43.8 -0.6 5.3 -8.8 52 52 A N H X5S+ 0 0 12 -4,-4.1 4,-1.5 1,-0.2 -2,-0.2 0.929 118.7 37.2 -59.2 -47.7 2.3 7.3 -7.6 53 53 A D H <5S+ 0 0 115 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.827 120.2 48.4 -72.0 -38.4 3.7 7.5 -11.1 54 54 A A H <5S+ 0 0 79 -4,-2.4 -2,-0.2 -6,-0.2 -3,-0.2 0.859 121.0 31.9 -73.5 -40.3 0.2 7.9 -12.7 55 55 A Q H <5S- 0 0 70 -4,-3.6 3,-0.3 -5,-0.1 -3,-0.2 0.907 71.5-179.0 -82.8 -49.3 -1.2 10.6 -10.5 56 56 A A << - 0 0 37 -4,-1.5 2,-1.5 -5,-0.6 -3,-0.1 0.938 20.9-154.5 42.6 62.2 2.0 12.5 -9.7 57 57 A P 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.519 360.0 360.0 -72.1 88.5 -0.1 14.9 -7.5 58 58 A K 0 0 259 -2,-1.5 -37,-0.0 -3,-0.3 0, 0.0 -0.570 360.0 360.0 -75.6 360.0 2.1 18.0 -7.7