==== 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 2AP7 . COMPND 2 MOLECULE: BOMBININ H2; . 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) . 1877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 85.0 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 . 3 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 70.0 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 0 0 1 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 0 166 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.1 13.3 -2.6 4.0 2 2 A I + 0 0 172 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.830 360.0 15.1 -58.6 -33.3 15.1 -1.2 1.0 3 3 A G >> - 0 0 14 1,-0.1 4,-0.9 2,-0.0 3,-0.6 -0.765 57.9-171.3-148.8 99.1 12.2 1.1 0.5 4 4 A P H 3> S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.694 86.4 70.9 -60.8 -17.9 9.5 1.8 3.1 5 5 A V H 3> S+ 0 0 91 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.963 96.0 47.0 -63.5 -53.9 7.6 3.7 0.4 6 6 A L H <> S+ 0 0 138 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.796 115.8 49.4 -58.6 -27.8 6.6 0.5 -1.5 7 7 A G H X S+ 0 0 45 -4,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.847 112.6 44.3 -80.4 -36.6 5.7 -0.9 1.8 8 8 A L H >X S+ 0 0 97 -4,-2.4 4,-2.0 2,-0.2 3,-0.6 0.925 114.5 47.7 -74.7 -44.6 3.5 2.0 3.0 9 9 A V H 3X S+ 0 0 67 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.897 107.8 57.1 -62.3 -38.7 1.8 2.5 -0.3 10 10 A G H 3X S+ 0 0 37 -4,-1.1 4,-0.7 -5,-0.4 -1,-0.3 0.794 106.0 51.7 -62.0 -26.6 1.1 -1.3 -0.4 11 11 A S H XX S+ 0 0 94 -4,-0.7 4,-1.3 -3,-0.6 3,-0.8 0.929 112.5 42.0 -75.0 -46.7 -0.6 -0.8 2.9 12 12 A A H 3X S+ 0 0 63 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.696 107.8 65.9 -71.4 -18.0 -2.9 2.0 1.7 13 13 A L H 3X S+ 0 0 97 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.778 103.9 42.9 -73.6 -28.3 -3.3 -0.1 -1.5 14 14 A G H