==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 16-JUN-09 2KK9 . COMPND 2 MOLECULE: M PROTEIN, SEROTYPE 5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.GUILHERME,M.P.ALBA,M.E.PATARROYO,J.KALIL . 55 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 52.7 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 . 7 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.6 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 0 0 0 0 0 0 0 0 0 1 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 K 0 0 257 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.4 13.1 -25.6 -0.1 2 2 A G + 0 0 75 1,-0.1 2,-0.7 3,-0.0 0, 0.0 0.983 360.0 167.9 75.6 62.0 13.4 -23.6 3.2 3 3 A L + 0 0 167 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.594 35.4 112.5-106.7 68.1 11.1 -25.4 5.8 4 4 A R + 0 0 183 -2,-0.7 5,-0.1 2,-0.1 -1,-0.1 -0.740 20.1 135.8-140.1 86.3 12.3 -23.6 9.1 5 5 A R S S+ 0 0 141 -2,-0.2 -1,-0.0 3,-0.1 -2,-0.0 -0.517 73.4 39.5-131.3 63.6 9.4 -21.5 10.6 6 6 A D S S+ 0 0 123 -2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.098 110.7 47.1-169.2 -56.2 9.6 -22.4 14.4 7 7 A L S S+ 0 0 127 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.925 120.3 37.6 -67.8 -49.1 13.4 -22.7 15.5 8 8 A D S S- 0 0 127 2,-0.1 -1,-0.1 -4,-0.0 -3,-0.1 0.930 87.4-161.4 -69.3 -50.0 14.6 -19.4 13.8 9 9 A A - 0 0 75 1,-0.2 2,-1.0 -5,-0.1 3,-0.3 0.966 9.7-175.8 65.4 60.9 11.4 -17.3 14.6 10 10 A S + 0 0 19 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.753 43.5 109.2 -91.4 95.6 11.7 -14.3 12.1 11 11 A R S > S+ 0 0 178 -2,-1.0 4,-2.0 3,-0.1 -1,-0.2 0.528 81.1 39.3-127.3 -62.0 8.7 -12.0 13.0 12 12 A E H > S+ 0 0 138 -3,-0.3 4,-0.6 1,-0.2 -2,-0.1 0.884 118.1 53.0 -59.1 -40.7 10.3 -8.8 14.6 13 13 A A H > S+ 0 0 52 -4,-0.2 4,-1.2 1,-0.2 3,-0.5 0.869 110.3 47.2 -61.2 -41.9 13.2 -9.1 12.0 14 14 A K H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.844 104.4 59.5 -69.8 -38.9 10.5 -9.1 9.1 15 15 A K H X S+ 0 0 153 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.662 105.8 50.9 -64.4 -18.7 8.5 -6.1 10.5 16 16 A Q H X S+ 0 0 114 -4,-0.6 4,-1.1 -3,-0.5 -2,-0.2 0.894 111.7 43.3 -84.3 -48.3 11.7 -3.9 10.2 17 17 A L H X S+ 0 0 94 -4,-1.2 4,-1.5 1,-0.2 3,-0.4 0.943 116.8 48.1 -61.5 -49.6 12.6 -4.7 6.5 18 18 A E H X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.812 104.4 60.4 -61.5 -36.8 8.9 -4.4 5.3 19 19 A A H X S+ 0 0 56 -4,-0.7 4,-1.4 -5,-0.2 -1,-0.2 0.856 106.5 46.8 -60.6 -37.5 8.4 -0.9 7.2 20 20 A E H X S+ 0 0 134 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.919 113.4 46.8 -70.8 -47.3 11.2 0.7 5.1 21 21 A Q H X S+ 0 0 135 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.902 114.3 47.4 -61.7 -45.0 9.9 -0.6 1.6 22 22 A Q H X S+ 0 0 130 -4,-2.1 4,-1.5 2,-0.2 3,-0.2 0.860 112.4 49.0 -64.6 -41.1 6.2 0.4 2.4 23 23 A K H X S+ 0 0 135 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.893 108.6 52.5 -66.9 -42.7 7.1 4.0 3.6 24 24 A L H X S+ 0 0 105 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.698 106.9 55.6 -65.5 -21.3 9.3 4.7 0.5 25 25 A E H X S+ 0 0 150 -4,-0.8 4,-2.1 -3,-0.2 -2,-0.2 0.922 108.5 45.0 -75.9 -48.1 6.3 3.6 -1.8 26 26 A E H X>S+ 0 0 128 -4,-1.5 5,-1.2 1,-0.2 4,-1.0 0.870 115.5 49.0 -60.9 -40.8 3.8 6.2 -0.2 27 27 A Q H <5S+ 0 0 120 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.871 113.9 44.1 -67.8 -42.5 6.6 9.0 -0.4 28 28 A N H <5S+ 0 0 123 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.896 114.5 48.5 -70.7 -42.5 7.5 8.3 -4.2 29 29 A K H X5S- 0 0 122 -4,-2.1 4,-1.4 -5,-0.1 5,-0.2 0.687 100.0-133.0 -70.1 -22.5 3.8 8.0 -5.4 30 30 A I H X5S- 0 0 103 -4,-1.0 4,-1.4 3,-0.2 -3,-0.1 0.942 71.4 -47.1 66.6 50.6 2.6 11.4 -3.6 31 31 A S H 4 S+ 0 0 130 1,-0.1 3,-0.6 2,-0.1 4,-0.2 0.913 122.3 43.1 -62.6 -49.2 -8.1 10.8 -12.3 42 42 A L T 3 S+ 0 0 60 1,-0.3 2,-0.8 2,-0.1 5,-0.2 0.948 122.9 37.1 -63.3 -52.4 -8.5 11.6 -8.4 43 43 A D T 3 S+ 0 0 102 1,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 -0.554 85.8 119.7 -99.1 65.4 -12.4 11.8 -8.5 44 44 A A S < S- 0 0 72 -2,-0.8 -1,-0.1 -3,-0.6 -2,-0.1 0.929 82.3 -45.9 -90.1 -72.9 -13.0 9.0 -11.1 45 45 A S S S- 0 0 69 -4,-0.2 2,-0.3 -3,-0.2 0, 0.0 0.093 90.9 -50.4-127.0-121.1 -15.2 6.2 -9.4 46 46 A R S >>S- 0 0 86 -3,-0.1 4,-2.5 -2,-0.1 5,-1.3 -0.773 113.6 -40.4-128.0 78.1 -14.7 4.6 -5.9 47 47 A E T 45S- 0 0 95 -2,-0.3 5,-0.1 -5,-0.2 -4,-0.1 0.928 120.4 -44.8 63.2 48.7 -10.9 3.6 -5.9 48 48 A A T 45S- 0 0 90 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.947 118.5 -43.8 60.1 50.2 -11.0 2.3 -9.7 49 49 A K T 45S+ 0 0 158 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.924 120.8 106.6 60.8 49.2 -14.3 0.4 -9.1 50 50 A K T <5S+ 0 0 175 -4,-2.5 2,-1.3 1,-0.0 -3,-0.2 0.725 70.3 42.6-118.2 -67.8 -13.2 -1.1 -5.7 51 51 A Q S