==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 17-APR-13 4K7T . COMPND 2 MOLECULE: BACITRACIN A2; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.J.ECONOMOU,P.J.LOLL . 11 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 18.2 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 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 9.1 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+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 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 2 A C 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.8 1.9 11.8 15.1 2 3 A L - 0 0 152 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.679 360.0-144.1 -89.0 -20.7 3.5 10.3 12.0 3 4 A X + 0 0 98 1,-0.2 2,-0.6 0, 0.0 0, 0.0 0.833 42.1 151.4 66.5 35.2 3.9 13.7 10.4 4 5 A I > - 0 0 107 3,-0.2 3,-0.9 2,-0.0 2,-0.3 -0.887 38.3-139.3-104.5 118.9 3.2 12.6 6.8 5 6 A K T 3 S+ 0 0 99 -2,-0.6 3,-0.1 1,-0.2 4,-0.0 -0.590 81.3 36.8 -81.7 134.3 1.7 15.3 4.6 6 7 A X T 3 S+ 0 0 164 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.224 106.2 66.7 114.8 -12.2 -1.0 14.2 2.2 7 8 A I S < S+ 0 0 111 -3,-0.9 3,-0.4 0, 0.0 2,-0.2 -0.994 90.8 13.4-136.3 141.2 -2.8 11.7 4.4 8 9 A X S S- 0 0 184 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.571 112.1 -32.8 96.1-160.9 -4.8 12.4 7.6 9 10 A H S S- 0 0 183 -2,-0.2 -1,-0.2 1,-0.0 -4,-0.1 0.748 94.4 -87.6 -70.7 -28.9 -6.0 15.6 9.0 10 11 A X 0 0 71 -3,-0.4 -2,-0.1 -6,-0.2 -5,-0.1 0.586 360.0 360.0 130.1 11.5 -3.2 17.8 7.8 11 12 A N 0 0 116 -4,-0.2 -6,-0.2 -7,-0.1 -3,-0.1 0.665 360.0 360.0 -76.0 360.0 -0.3 17.9 10.3