==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 04-MAY-04 1T5M . COMPND 2 MOLECULE: DAPTOMYCIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.JUNG,A.ROZEK,M.OKON,R.E.HANCOCK . 13 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 23.1 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 . 2 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 7.7 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 W 0 0 290 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.6 3.1 -6.7 1.6 2 3 A X > + 0 0 78 2,-0.1 3,-0.6 4,-0.0 0, 0.0 -0.247 360.0 104.3 95.5 -50.5 3.9 -2.9 1.3 3 4 A D T 3 S+ 0 0 153 1,-0.2 2,-1.0 2,-0.1 3,-0.2 0.836 76.6 59.1 -18.2 -52.0 2.1 -2.7 -2.3 4 5 A T T 3 S+ 0 0 48 1,-0.2 9,-0.4 9,-0.2 -1,-0.2 -0.437 116.3 5.0-100.9 54.9 -0.9 -0.9 -0.4 5 6 A G < - 0 0 21 -2,-1.0 2,-0.4 -3,-0.6 -1,-0.2 0.515 47.1-169.0 140.9 95.3 0.7 2.3 1.1 6 7 A X - 0 0 122 -3,-0.2 2,-1.5 5,-0.1 4,-0.5 -0.844 57.7 -91.9 -78.9 139.7 4.3 3.9 1.0 7 8 A D S S+ 0 0 177 -2,-0.4 2,-0.1 1,-0.2 -1,-0.0 -0.220 101.4 7.4 -71.5 84.4 4.2 6.7 3.8 8 9 A X S S+ 0 0 85 -2,-1.5 -1,-0.2 3,-0.0 0, 0.0 -0.467 104.1 64.4 156.3 -84.8 3.0 9.9 1.8 9 10 A D S S- 0 0 171 -2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.835 111.8 -2.7 -54.1 -47.7 1.7 10.1 -1.9 10 11 A G S S- 0 0 69 -4,-0.5 2,-0.3 1,-0.2 -3,-0.1 0.847 71.9-129.4-117.7 -90.4 -1.5 7.9 -1.8 11 12 A X - 0 0 83 -5,-0.1 -1,-0.2 0, 0.0 -5,-0.1 -0.960 52.2 -12.6 140.1-162.1 -3.3 5.9 1.1 12 13 A X 0 0 203 -2,-0.3 -7,-0.2 1,-0.2 -8,-0.0 -0.275 360.0 360.0 -91.2 171.9 -4.7 2.2 1.5 13 14 A X 0 0 286 -9,-0.4 -9,-0.2 -2,-0.1 -1,-0.2 -0.330 360.0 360.0 101.8 360.0 -5.4 -0.7 -1.0