==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 15-AUG-05 2AP8 . COMPND 2 MOLECULE: BOMBININ H4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.ZANGGER,A.JILEK,L.KHATAI . 20 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 60.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 60.0 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+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 1 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 I 0 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.4 -8.4 10.4 -7.5 2 2 A X - 0 0 118 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.812 360.0-164.5 -64.3-114.7 -4.8 10.8 -6.5 3 3 A G S S+ 0 0 45 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 -0.247 80.3 49.6 156.2 -54.1 -2.3 8.7 -8.3 4 4 A P S > S+ 0 0 86 0, 0.0 4,-0.8 0, 0.0 5,-0.0 0.604 108.4 56.6 -85.7 -13.0 1.0 8.7 -6.3 5 5 A V H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.829 96.1 63.0 -84.2 -35.2 -0.9 8.0 -3.1 6 6 A L H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.783 103.2 51.4 -58.8 -28.5 -2.4 4.8 -4.5 7 7 A G H > S+ 0 0 40 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.867 111.0 44.8 -77.7 -37.6 1.2 3.5 -4.8 8 8 A L H X S+ 0 0 117 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.780 116.5 48.4 -74.3 -28.6 2.1 4.3 -1.2 9 9 A V H X S+ 0 0 68 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.919 113.5 44.3 -77.1 -46.4 -1.2 2.8 -0.1 10 10 A G H X S+ 0 0 39 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.738 113.3 55.3 -69.3 -20.9 -0.8 -0.3 -2.2 11 11 A S H X S+ 0 0 90 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.908 116.3 33.9 -76.5 -43.8 2.8 -0.4 -0.9 12 12 A A H X S+ 0 0 71 -4,-1.9 4,-1.5 2,-0.2 5,-0.2 0.789 118.5 55.1 -80.1 -30.0 1.7 -0.3 2.7 13 13 A L H X S+ 0 0 104 -4,-3.3 4,-1.0 1,-0.2 -3,-0.2 0.962 114.9 36.8 -67.7 -51.6 -1.4 -2.4 2.0 14 14 A G H X S+ 0 0 28 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.710 107.8 73.5 -71.9 -20.2 0.5 -5.2 0.4 15 15 A G H X S+ 0 0 32 -4,-0.6 4,-0.6 1,-0.2 -2,-0.2 0.969 107.4 28.0 -58.0 -59.0 3.2 -4.6 2.9 16 16 A L H < S+ 0 0 137 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.688 117.4 67.0 -76.0 -18.3 1.4 -6.1 5.9 17 17 A L H < S+ 0 0 139 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.967 110.6 29.1 -65.4 -56.4 -0.5 -8.3 3.5 18 18 A K H < S+ 0 0 145 -4,-2.8 -1,-0.2 -5,-0.0 -2,-0.2 0.486 97.9 118.2 -83.6 -4.3 2.5 -10.4 2.4 19 19 A K < 0 0 102 -4,-0.6 -3,-0.0 -5,-0.2 -4,-0.0 -0.397 360.0 360.0 -68.9 139.9 4.2 -9.9 5.7 20 20 A I 0 0 212 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.966 360.0 360.0 -71.0 360.0 4.8 -13.1 7.7