==== 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 17-SEP-02 1MQX . COMPND 2 MOLECULE: LANTIBIOTIC MERSACIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. HIL-Y85/54728; . AUTHOR S.-T.HSU,E.BREUKINK,G.BIERBAUM,H.-G.SAHL,B.DE KRUIJFF,R.KAPT . 19 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 26.3 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 . 3 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 5.3 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 1 A C 0 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 156.4 9.6 4.1 -0.0 2 2 A X - 0 0 110 1,-0.1 3,-0.1 0, 0.0 0, 0.0 0.446 360.0-167.0 -66.1 143.3 8.3 5.4 -2.2 3 3 A F + 0 0 126 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.058 47.2 96.3 -82.6-160.6 5.4 3.1 -1.4 4 4 A X S S+ 0 0 30 -3,-0.0 8,-0.6 0, 0.0 -1,-0.1 -0.788 100.7 23.9 115.4 -79.3 2.3 2.4 -3.5 5 5 A L S S+ 0 0 163 -2,-0.7 6,-0.1 -3,-0.1 2,-0.0 -0.824 90.8 152.6-117.2 85.3 3.2 -0.7 -5.4 6 6 A P - 0 0 70 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.007 35.3-142.1 -97.0-155.9 5.8 -2.3 -3.1 7 7 A G + 0 0 81 3,-0.1 4,-0.1 -2,-0.0 2,-0.1 -0.403 60.6 60.7-177.5 91.2 7.0 -5.9 -2.4 8 8 A G S S- 0 0 81 2,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.330 104.3 -26.5-171.1 -97.6 8.0 -7.2 1.0 9 9 A G S S+ 0 0 87 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.743 116.6 32.5-113.3 -37.3 5.9 -7.4 4.2 10 10 A G - 0 0 54 0, 0.0 -2,-0.3 0, 0.0 2,-0.3 -0.772 68.1-132.2-121.2 166.5 3.3 -4.7 3.9 11 11 A V - 0 0 79 2,-0.3 2,-1.7 -2,-0.3 4,-0.1 -0.793 40.4 -87.7-117.3 159.0 1.3 -3.1 1.2 12 12 A C S >> S- 0 0 4 -8,-0.6 2,-1.6 -2,-0.3 3,-1.3 -0.462 101.5 -45.9 -63.9 79.7 0.5 0.6 0.4 13 13 A X T 34 S- 0 0 77 -2,-1.7 -2,-0.3 1,-0.3 -1,-0.1 -0.684 114.3 -49.8 89.1 -83.6 -2.5 0.7 2.6 14 14 A L T 34 S- 0 0 130 -2,-1.6 -1,-0.3 -4,-0.1 -2,-0.1 0.291 96.2 -70.9-153.0 -19.4 -3.8 -2.5 1.2 15 15 A X T <4 S- 0 0 69 -3,-1.3 -2,-0.1 -4,-0.1 -10,-0.0 0.677 117.2 -6.4 118.4 51.5 -3.5 -1.7 -2.5 16 16 A X S < S+ 0 0 75 -4,-0.8 -3,-0.1 -12,-0.1 0, 0.0 0.069 114.1 82.7 123.9 -21.7 -6.1 0.8 -3.1 17 17 A E S S+ 0 0 157 -5,-0.1 -4,-0.1 0, 0.0 -5,-0.0 0.731 110.4 22.3 -86.4 -18.6 -8.0 1.0 0.1 18 18 A C 0 0 64 -6,-0.5 -5,-0.2 0, 0.0 -6,-0.1 0.733 360.0 360.0-105.0 -90.5 -5.4 3.4 1.3 19 19 A I 0 0 112 -7,-0.7 -6,-0.1 -15,-0.1 -7,-0.0 0.815 360.0 360.0-104.4 360.0 -3.3 5.2 -1.3