==== 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 30-SEP-08 2K98 . COMPND 2 MOLECULE: MSI-594; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BHUNIA,S.BHATTACHARJYA,A.RAMAMOORTHY . 24 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 79.2 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.2 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 1 0 0 0 1 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 99 0, 0.0 3,-2.0 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0-156.5 2.1 0.0 -1.2 2 2 A I H >> + 0 0 121 1,-0.3 4,-2.5 2,-0.2 3,-0.6 0.747 360.0 84.8 -59.2 -23.1 1.0 -0.9 -4.8 3 3 A G H 3> S+ 0 0 58 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.772 92.4 46.5 -50.6 -27.0 -1.1 -3.7 -3.2 4 4 A K H <> S+ 0 0 121 -3,-2.0 4,-2.6 2,-0.2 -1,-0.3 0.793 108.6 54.1 -85.7 -31.6 -3.7 -1.0 -2.7 5 5 A F H < S+ 0 0 168 -4,-1.0 3,-0.7 -5,-0.4 -2,-0.2 0.869 118.6 41.0 -75.3 -38.4 -6.6 -4.1 -5.2 8 8 A K H >< S+ 0 0 97 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.688 95.2 81.7 -81.8 -19.8 -8.5 -0.8 -5.4 9 9 A A T 3< + 0 0 31 -4,-1.0 4,-0.3 1,-0.2 -1,-0.2 0.698 68.0 91.3 -58.1 -18.1 -8.1 -0.7 -9.2 10 10 A K T < S- 0 0 182 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 0.918 116.5 -25.5 -41.7 -60.3 -11.1 -3.1 -9.2 11 11 A K S < S+ 0 0 178 -3,-1.0 2,-2.3 1,-0.1 3,-0.4 0.606 137.2 47.3-120.4 -79.3 -13.5 -0.2 -9.5 12 12 A G > + 0 0 32 1,-0.2 4,-0.5 2,-0.1 -2,-0.2 -0.450 67.2 133.0 -72.7 77.3 -12.4 3.2 -8.2 13 13 A I H >> + 0 0 52 -2,-2.3 4,-2.7 -4,-0.3 5,-0.5 0.794 54.7 73.2 -94.9 -36.2 -9.0 3.2 -9.8 14 14 A G H 45S+ 0 0 51 -3,-0.4 4,-0.4 1,-0.2 -1,-0.1 0.722 100.3 50.9 -51.2 -20.8 -9.1 6.7 -11.2 15 15 A A H >5S+ 0 0 58 2,-0.1 4,-1.8 3,-0.1 -1,-0.2 0.896 113.4 40.4 -83.8 -45.7 -8.6 7.8 -7.6 16 16 A V H X5S+ 0 0 10 -4,-0.5 4,-3.4 -3,-0.3 5,-0.2 0.961 118.0 46.1 -67.7 -53.3 -5.6 5.6 -6.8 17 17 A L H X5S+ 0 0 86 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.811 110.5 57.5 -59.8 -30.2 -3.8 6.1 -10.1 18 18 A K H 4X S+ 0 0 76 -4,-1.8 3,-2.0 1,-0.2 4,-0.7 0.814 107.8 69.6 -79.4 -32.5 -2.7 10.1 -6.4 20 20 A L H 3X S+ 0 0 35 -4,-3.4 4,-1.7 1,-0.3 3,-0.3 0.742 95.7 57.4 -57.3 -22.4 -0.2 7.4 -7.3 21 21 A T H 3< S+ 0 0 97 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.676 96.7 61.9 -82.0 -18.7 1.2 9.9 -9.8 22 22 A T H <4 S+ 0 0 126 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.678 117.5 28.4 -79.7 -18.5 1.8 12.5 -7.0 23 23 A G H < 0 0 71 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.1 0.648 360.0 360.0-112.6 -25.2 4.2 10.1 -5.3 24 24 A L < 0 0 171 -4,-1.7 -3,-0.0 -5,-0.2 0, 0.0 -0.098 360.0 360.0 -52.1 360.0 5.6 8.1 -8.2