==== 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 19-FEB-08 2K10 . COMPND 2 MOLECULE: RANATUERIN-2CSA; . SOURCE 2 SYNTHETIC: YES . AUTHOR C.M.HEWAGE,A.P.SUBASINGHAGE,M.CONLON . 32 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 78.1 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 . 6 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 9.4 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 1 0 0 1 1 0 0 0 0 0 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 G > 0 0 81 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 162.1 13.7 -10.6 10.2 2 2 A I H > + 0 0 130 2,-0.2 4,-2.8 3,-0.1 3,-0.2 0.954 360.0 50.2 -80.2 -56.8 13.9 -8.0 7.4 3 3 A L H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.829 109.5 53.9 -47.2 -36.4 12.5 -10.3 4.7 4 4 A S H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.960 110.8 44.7 -64.8 -49.0 9.6 -11.1 7.1 5 5 A S H X S+ 0 0 70 -4,-1.3 4,-2.5 -3,-0.2 5,-0.4 0.912 118.0 45.0 -58.9 -43.8 8.8 -7.4 7.4 6 6 A F H X>S+ 0 0 134 -4,-2.8 4,-1.2 2,-0.2 5,-1.1 0.996 114.9 43.6 -67.4 -62.9 9.2 -6.8 3.7 7 7 A K H <5S+ 0 0 141 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.864 116.4 51.9 -52.8 -34.0 7.2 -9.8 2.4 8 8 A G H <5S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.952 132.4 9.7 -64.4 -48.7 4.6 -9.1 5.1 9 9 A V H ><5S+ 0 0 120 -4,-2.5 3,-1.2 -3,-0.2 -3,-0.2 0.910 127.6 51.6 -97.0 -58.8 4.2 -5.4 4.1 10 10 A A G ><5S+ 0 0 37 -4,-1.2 3,-2.6 -5,-0.4 4,-0.3 0.763 89.1 81.7 -54.1 -31.7 6.0 -4.8 0.8 11 11 A K G 3 S+ 0 0 41 -3,-1.2 4,-1.8 -4,-0.2 -1,-0.3 -0.053 85.5 112.5-105.3 32.5 1.2 -5.6 -1.8 13 13 A V H <> + 0 0 71 -3,-2.6 4,-3.0 1,-0.2 5,-0.4 0.867 58.4 75.5 -72.4 -35.8 2.9 -2.2 -2.2 14 14 A A H 4 S+ 0 0 95 -4,-0.3 4,-0.4 -3,-0.3 -1,-0.2 0.872 116.7 16.5 -43.7 -51.3 2.2 -1.9 -5.9 15 15 A K H >> S+ 0 0 177 -3,-0.2 4,-1.5 2,-0.1 3,-0.5 0.898 125.4 55.4 -87.4 -46.6 -1.5 -1.0 -5.2 16 16 A D H 3X S+ 0 0 70 -4,-1.8 4,-2.0 1,-0.2 -3,-0.2 0.787 94.2 68.4 -65.8 -27.7 -1.4 -0.1 -1.5 17 17 A L H >X S+ 0 0 94 -4,-3.0 4,-2.2 1,-0.2 3,-0.7 0.959 105.3 43.3 -51.9 -52.4 1.3 2.6 -1.9 18 18 A A H <> S+ 0 0 33 -3,-0.5 4,-3.0 -4,-0.4 -1,-0.2 0.912 107.1 62.3 -59.8 -41.0 -1.2 4.7 -3.8 19 19 A G H 3< S+ 0 0 7 -4,-1.5 8,-0.3 -6,-0.2 -1,-0.3 0.870 110.5 39.3 -49.8 -40.6 -3.7 3.7 -1.1 20 20 A K H X< S+ 0 0 131 -4,-2.0 3,-1.7 -3,-0.7 4,-0.3 0.986 122.4 36.8 -75.0 -60.8 -1.6 5.5 1.5 21 21 A L H 3< S+ 0 0 138 -4,-2.2 3,-0.3 1,-0.3 -3,-0.2 0.908 129.0 36.3 -61.9 -42.2 -0.4 8.6 -0.3 22 22 A L T >X>S+ 0 0 73 -4,-3.0 4,-2.5 -5,-0.3 3,-1.0 -0.238 75.9 126.8-102.1 43.0 -3.7 9.0 -2.2 23 23 A E T <4> + 0 0 112 -3,-1.7 5,-0.9 1,-0.2 -1,-0.2 0.953 67.8 65.3 -61.0 -45.7 -5.9 7.8 0.8 24 24 A T T 345S+ 0 0 107 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.729 126.8 4.8 -45.6 -30.5 -7.9 11.1 0.3 25 25 A L T <>5S+ 0 0 85 -3,-1.0 4,-2.7 3,-0.1 -2,-0.2 0.694 127.5 52.0-128.8 -45.1 -9.1 9.9 -3.1 26 26 A K H X>S+ 0 0 100 -4,-2.5 4,-2.2 -8,-0.2 5,-0.7 0.992 112.9 46.2 -60.9 -59.9 -8.0 6.3 -4.1 27 27 A a H >