==== 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 ANTIBIOTIC 07-OCT-08 2K9B . COMPND 2 MOLECULE: DERMADISTINCTIN-K; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.M.MORAES,R.M.VERLY,J.M.RESENDE,C.AISENBREY,M.P.BEMQUERER, . 33 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 81.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 69.7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.2 -26.2 1.4 0.8 2 2 A L + 0 0 151 1,-0.0 2,-0.5 2,-0.0 0, 0.0 0.083 360.0 21.7 -67.8-172.8 -23.2 3.9 0.7 3 3 A W S S+ 0 0 218 2,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.334 75.3 157.2 54.7-105.4 -19.6 2.8 0.6 4 4 A S + 0 0 71 -2,-0.5 -1,-0.1 1,-0.1 5,-0.0 0.526 58.1 38.2 60.3 142.7 -19.8 -0.8 -0.6 5 5 A K S > S+ 0 0 159 1,-0.1 4,-0.7 4,-0.1 5,-0.1 0.895 75.5 135.4 52.1 42.9 -16.8 -2.5 -2.2 6 6 A I H > + 0 0 88 3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.815 65.8 50.4 -88.3 -35.1 -14.6 -0.7 0.3 7 7 A K H > S+ 0 0 169 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.926 116.5 40.3 -68.6 -45.6 -12.4 -3.8 1.1 8 8 A A H > S+ 0 0 64 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.833 121.2 45.7 -71.5 -32.7 -11.8 -4.6 -2.6 9 9 A A H X S+ 0 0 52 -4,-0.7 4,-1.9 2,-0.2 3,-0.4 0.977 112.8 46.1 -73.5 -60.2 -11.3 -0.9 -3.4 10 10 A G H >X S+ 0 0 32 -4,-3.0 4,-3.0 1,-0.3 3,-1.2 0.946 111.1 52.0 -47.4 -60.3 -9.1 0.2 -0.5 11 11 A K H 3X S+ 0 0 179 -4,-1.6 4,-0.6 -5,-0.3 -1,-0.3 0.862 115.7 43.3 -45.9 -38.2 -6.8 -2.8 -0.9 12 12 A E H 3< S+ 0 0 121 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.3 0.719 113.7 51.6 -80.2 -21.7 -6.6 -1.7 -4.5 13 13 A A H << S+ 0 0 74 -4,-1.9 3,-0.4 -3,-1.2 4,-0.3 0.720 110.4 48.1 -85.1 -23.1 -6.3 1.9 -3.4 14 14 A A H X S+ 0 0 57 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.582 83.6 92.3 -91.1 -12.2 -3.4 1.0 -1.0 15 15 A K H X S+ 0 0 101 -4,-0.6 4,-1.3 -5,-0.4 -1,-0.2 0.798 79.8 63.9 -51.5 -28.0 -1.6 -1.0 -3.7 16 16 A A H >> S+ 0 0 54 -3,-0.4 4,-1.6 -4,-0.2 3,-1.1 0.991 104.2 41.6 -59.4 -62.5 0.2 2.3 -4.4 17 17 A A H 3> S+ 0 0 58 -4,-0.3 4,-3.1 1,-0.3 5,-0.3 0.934 102.2 72.0 -47.9 -53.6 1.9 2.5 -1.1 18 18 A A H 3X S+ 0 0 65 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.805 111.7 28.2 -29.8 -51.8 2.6 -1.2 -1.2 19 19 A K H X S+ 0 0 32 -4,-1.4 4,-2.5 -5,-0.3 3,-1.0 0.924 113.9 59.5 -48.7 -51.9 9.2 -1.1 0.2 23 23 A K H >X S+ 0 0 146 -4,-1.8 4,-1.2 1,-0.3 3,-0.7 0.931 111.1 37.4 -41.2 -70.1 11.2 1.0 -2.2 24 24 A A H 3X S+ 0 0 65 -4,-1.0 4,-0.9 1,-0.2 -1,-0.3 0.659 113.0 64.7 -59.7 -14.2 11.7 3.9 0.2 25 25 A A H