==== 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 21-MAR-07 2JOS . COMPND 2 MOLECULE: MORONECIDIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.CAMPAGNA,N.SAINT,G.MOLLE,A.AUMELAS . 22 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 59.1 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 . 4 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 40.9 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 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 F 0 0 241 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.7 -4.9 15.3 -1.0 2 2 A F + 0 0 188 2,-0.0 4,-0.0 3,-0.0 0, 0.0 -0.448 360.0 101.7-140.5 62.7 -2.0 13.1 -0.1 3 3 A H S S+ 0 0 176 2,-0.0 3,-0.2 3,-0.0 -1,-0.0 0.796 97.9 12.5-107.3 -58.1 -1.2 13.7 3.6 4 4 A H S S+ 0 0 135 1,-0.1 4,-0.2 2,-0.1 -2,-0.0 -0.351 97.8 101.6-118.4 48.8 -2.7 10.8 5.5 5 5 A I S S+ 0 0 87 2,-0.1 4,-0.3 1,-0.1 -1,-0.1 0.600 80.8 51.3-102.8 -19.4 -3.4 8.5 2.6 6 6 A F S S+ 0 0 168 -3,-0.2 -2,-0.1 2,-0.2 -1,-0.1 0.462 98.0 68.5 -94.9 -4.9 -0.4 6.3 3.2 7 7 A R S S+ 0 0 197 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.778 104.2 41.3 -82.4 -30.0 -1.3 5.9 6.8 8 8 A G S > S+ 0 0 41 -4,-0.2 4,-0.9 1,-0.2 3,-0.3 0.621 103.7 67.2 -90.3 -16.8 -4.3 3.8 6.0 9 9 A I H > S+ 0 0 90 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.322 86.1 76.4 -84.1 7.4 -2.5 1.9 3.3 10 10 A V H > S+ 0 0 43 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.916 97.0 39.9 -81.5 -49.2 -0.4 0.4 6.0 11 11 A H H > S+ 0 0 140 -4,-0.3 4,-1.4 -3,-0.3 -2,-0.2 0.827 120.9 48.0 -68.2 -32.9 -3.1 -2.1 7.2 12 12 A V H >X S+ 0 0 69 -4,-0.9 4,-2.1 2,-0.2 3,-0.8 0.992 111.9 44.8 -69.8 -65.5 -4.0 -2.7 3.6 13 13 A G H 3X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.3 -2,-0.2 0.849 115.8 50.3 -46.1 -40.8 -0.6 -3.2 2.2 14 14 A K H 3X S+ 0 0 103 -4,-2.0 4,-0.7 2,-0.2 -1,-0.3 0.859 106.6 56.8 -67.1 -36.4 0.2 -5.4 5.2 15 15 A T H XX S+ 0 0 74 -4,-1.4 4,-1.2 -3,-0.8 3,-1.2 0.973 108.4 43.8 -58.1 -59.6 -3.0 -7.3 4.6 16 16 A I H >X S+ 0 0 89 -4,-2.1 3,-2.0 1,-0.3 4,-1.4 0.947 114.0 49.7 -50.2 -56.9 -2.1 -8.3 1.0 17 17 A H H 3< S+ 0 0 137 -4,-2.2 4,-0.4 1,-0.3 -1,-0.3 0.696 108.0 58.4 -56.4 -17.9 1.4 -9.2 2.1 18 18 A R H << S+ 0 0 198 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.3 0.738 118.4 27.8 -82.8 -25.8 -0.4 -11.1 4.8 19 19 A L H X< S+ 0 0 127 -3,-2.0 3,-1.9 -4,-1.2 -2,-0.2 0.258 93.1 103.7-115.5 5.6 -2.3 -13.2 2.2 20 20 A V T 3< S+ 0 0 99 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.949 85.2 45.0 -51.5 -56.1 0.4 -12.9 -0.4 21 21 A T T 3 0 0 144 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.410 360.0 360.0 -69.8 4.2 1.6 -16.4 0.2 22 22 A G < 0 0 89 -3,-1.9 -1,-0.2 -6,-0.3 -3,-0.1 -0.477 360.0 360.0 -88.2 360.0 -2.1 -17.2 0.2