==== 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 1MQZ . 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) . 1571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 31.6 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 . 2 10.5 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 0 147 0, 0.0 2,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 146.4 2.2 6.2 -1.8 2 2 A X - 0 0 65 16,-0.1 2,-0.5 11,-0.0 17,-0.2 0.429 360.0 -52.8 -72.5-145.5 -0.2 4.8 -1.2 3 3 A F S S+ 0 0 145 15,-0.2 16,-0.4 -2,-0.2 2,-0.2 -0.385 109.9 79.2 -58.2 106.6 -0.5 4.6 2.5 4 4 A X S S- 0 0 34 -2,-0.5 9,-0.0 14,-0.1 7,-0.0 -0.404 71.6-132.5 152.0 125.5 2.8 3.2 3.6 5 5 A L S S+ 0 0 163 -2,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.842 78.4 88.1 -70.5 -35.5 6.3 4.9 4.0 6 6 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.219 68.6-139.9 -63.5 157.0 8.4 2.3 2.1 7 7 A G + 0 0 85 3,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.854 61.8 53.9-123.1 95.2 8.9 2.6 -1.7 8 8 A G S S- 0 0 60 -2,-0.5 3,-0.2 1,-0.1 0, 0.0 -0.923 97.6 -61.3 179.9-152.9 8.9 -0.7 -3.5 9 9 A G S S+ 0 0 65 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.852 121.5 55.2 -90.9 -35.8 6.8 -3.9 -4.0 10 10 A G S S+ 0 0 75 -3,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.774 84.7 146.9 -98.1 87.7 6.8 -5.0 -0.4 11 11 A V > - 0 0 24 -2,-1.1 3,-0.7 -3,-0.2 8,-0.1 -0.878 55.2 -85.2-124.0 163.2 5.4 -2.0 1.3 12 12 A C T 3 S+ 0 0 49 -2,-0.3 3,-0.2 1,-0.3 7,-0.1 -0.314 115.8 26.1 -61.4 137.1 3.3 -0.9 4.2 13 13 A X T 3 S- 0 0 39 1,-0.2 6,-3.1 5,-0.1 2,-1.4 0.864 83.4-173.6 71.5 37.3 -0.4 -1.0 3.3 14 14 A L < - 0 0 108 -3,-0.7 2,-0.3 4,-0.2 3,-0.2 -0.485 53.9 -18.7 -72.3 92.3 0.3 -3.6 0.7 15 15 A X S > S- 0 0 75 -2,-1.4 3,-2.1 -3,-0.2 4,-0.1 -0.744 120.7 -13.8 113.1-159.9 -3.1 -4.0 -1.1 16 16 A X T 3 S+ 0 0 102 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 0.679 119.2 71.3 -52.6 -25.0 -6.6 -3.1 -0.1 17 17 A E T 3 S- 0 0 169 -3,-0.2 -1,-0.3 2,-0.0 -3,-0.1 0.846 129.0 -24.7 -61.9 -32.7 -5.8 -2.5 3.5 18 18 A C < 0 0 32 -3,-2.1 -15,-0.2 -5,-0.5 -4,-0.2 0.439 360.0 360.0-138.4 -83.9 -4.0 0.7 2.4 19 19 A I 0 0 82 -6,-3.1 -3,-0.2 -16,-0.4 -5,-0.1 0.810 360.0 360.0 -62.0 360.0 -2.4 1.4 -0.9