==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 08-NOV-07 2JX6 . COMPND 2 MOLECULE: DERMADISTINCTIN-K; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.MENDONCA MORAES,R.M.VERLY,J.M.RESENDE,M.P.BEMQUERER, . 33 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 75.8 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 G 0 0 128 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -79.7 -26.7 -8.5 8.7 2 2 A L - 0 0 162 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.948 360.0-139.0-167.4 145.6 -24.2 -5.6 8.4 3 3 A W - 0 0 258 1,-0.3 -1,-0.0 -2,-0.3 0, 0.0 -0.013 50.0-125.2 -98.8 31.6 -22.9 -3.2 5.7 4 4 A S - 0 0 64 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 0.046 19.6-152.6 52.2-171.6 -19.3 -3.3 7.0 5 5 A K S S+ 0 0 197 -3,-0.1 2,-0.4 0, 0.0 4,-0.1 0.270 77.7 38.9-162.8 -47.1 -17.6 0.0 7.9 6 6 A I S S+ 0 0 131 1,-0.1 4,-0.2 2,-0.1 5,-0.1 -0.523 80.5 104.5-117.3 66.3 -13.8 -0.1 7.6 7 7 A K S > S+ 0 0 138 -2,-0.4 4,-2.6 3,-0.1 5,-0.3 0.790 77.7 46.1-109.3 -50.2 -13.2 -2.3 4.4 8 8 A A H > S+ 0 0 79 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.835 116.1 50.4 -64.5 -28.9 -12.2 0.2 1.6 9 9 A A H > S+ 0 0 62 2,-0.2 4,-2.1 -4,-0.1 3,-0.4 0.970 115.1 38.5 -74.1 -54.4 -9.8 1.8 4.1 10 10 A G H >>S+ 0 0 35 2,-0.2 4,-1.1 1,-0.2 5,-0.6 0.964 113.0 56.2 -62.5 -49.4 -8.0 -1.3 5.3 11 11 A K H <5S+ 0 0 155 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.818 116.3 39.7 -53.0 -26.0 -8.1 -2.9 1.8 12 12 A E H <5S+ 0 0 122 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.718 107.4 65.9 -95.0 -24.5 -6.3 0.3 0.8 13 13 A A H X5S+ 0 0 63 -4,-2.1 4,-1.0 -3,-0.3 -2,-0.2 0.994 110.7 29.8 -60.4 -75.4 -4.1 0.5 3.9 14 14 A A H X5S+ 0 0 75 -4,-1.1 2,-3.2 1,-0.2 4,-0.9 0.881 107.2 78.9 -54.1 -37.1 -1.8 -2.6 3.5 15 15 A K H 4 S+ 0 0 45 -2,-3.2 4,-3.0 0, 0.0 5,-0.4 -0.066 107.3 58.3 179.5 -62.8 0.4 0.6 -0.4 17 17 A A H X S+ 0 0 66 -4,-1.0 4,-3.4 1,-0.2 5,-0.3 0.965 104.0 55.9 -53.6 -55.4 3.1 0.4 2.3 18 18 A A H X S+ 0 0 71 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.912 117.9 34.2 -45.2 -50.4 4.3 -3.1 1.2 19 19 A K H > S+ 0 0 104 -5,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.984 118.8 49.1 -72.3 -58.2 4.9 -1.9 -2.4 20 20 A A H X S+ 0 0 64 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.827 111.6 55.2 -51.4 -29.5 6.0 1.7 -1.6 21 21 A A H X S+ 0 0 63 -4,-3.4 4,-1.2 -5,-0.4 -1,-0.2 0.992 108.5 42.1 -69.4 -61.0 8.4 0.1 1.0 22 22 A G H X S+ 0 0 33 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.791 105.5 72.7 -57.8 -23.8 10.2 -2.3 -1.4 23 23 A K H X S+ 0 0 129 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.990 99.7 38.9 -55.8 -67.8 10.3 0.6 -3.9 24 24 A A H X S+ 0 0 67 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.797 110.5 67.8 -54.7 -23.9 12.9 2.7 -2.1 25 25 A A H >X S+ 0 0 50 -4,-1.2 4,-1.6 2,-0.2 3,-0.8 0.992 101.4 41.1 -60.9 -61.3 14.6 -0.7 -1.3 26 26 A L H 3X S+ 0 0 118 -4,-2.1 4,-2.6 -3,-0.3 5,-0.3 0.922 114.0 54.2 -54.6 -43.9 15.6 -1.5 -5.0 27 27 A N H 3X S+ 0 0 92 -4,-1.7 4,-0.6 -5,-0.2 -1,-0.3 0.826 107.0 55.0 -62.0 -27.6 16.6 2.2 -5.6 28 28 A A H XX S+ 0 0 51 -4,-1.5 3,-1.2 -3,-0.8 4,-1.1 0.997 116.4 30.5 -68.8 -68.2 18.9 1.9 -2.5 29 29 A V H >X S+ 0 0 108 -4,-1.6 4,-2.0 1,-0.3 3,-0.9 0.925 116.6 59.7 -58.1 -44.1 21.0 -1.1 -3.5 30 30 A S H 3< S+ 0 0 76 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.2 0.766 105.7 51.1 -58.0 -21.0 20.7 -0.2 -7.2 31 31 A E H << S+ 0 0 151 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.750 107.3 51.2 -88.1 -24.7 22.3 3.1 -6.3 32 32 A A H << 0 0 85 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.1 0.819 360.0 360.0 -81.8 -30.3 25.3 1.5 -4.5 33 33 A V < 0 0 158 -4,-2.0 -1,-0.2 0, 0.0 -2,-0.1 0.912 360.0 360.0 -55.3 360.0 26.1 -0.9 -7.4