==== 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 1MQY . 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) . 1488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 42.1 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 . 2 10.5 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 . 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-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 10.5 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 . 1 5.3 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 . 1 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 64 0, 0.0 6,-1.7 0, 0.0 7,-0.6 0.000 360.0 360.0 360.0 148.8 -1.4 1.0 3.4 2 2 A X - 0 0 69 4,-0.3 2,-1.3 5,-0.2 3,-0.5 0.598 360.0-112.1 -69.3 165.4 -3.6 -0.6 2.5 3 3 A F S S- 0 0 142 1,-0.3 9,-0.1 -2,-0.2 12,-0.0 -0.494 103.7 -2.4 -67.6 93.3 -1.4 -3.4 1.2 4 4 A X S S+ 0 0 51 -2,-1.3 8,-0.3 7,-0.2 -1,-0.3 0.044 122.2 84.0 112.0 -24.5 -1.9 -3.0 -2.5 5 5 A L S S- 0 0 140 -3,-0.5 2,-0.5 6,-0.1 6,-0.0 -0.862 78.5-135.4-118.4 96.3 -4.4 -0.1 -2.2 6 6 A P + 0 0 75 0, 0.0 -4,-0.3 0, 0.0 5,-0.2 -0.285 42.7 155.7 -51.0 98.2 -2.8 3.3 -1.9 7 7 A G - 0 0 60 -6,-1.7 2,-0.4 -2,-0.5 -5,-0.2 0.779 59.8 -25.3 -93.6 -96.6 -4.8 4.9 0.9 8 8 A G S S+ 0 0 83 -7,-0.6 3,-0.1 1,-0.1 -6,-0.1 -0.713 130.0 0.0-130.0 85.0 -3.3 7.6 3.0 9 9 A G S S+ 0 0 71 -2,-0.4 7,-0.4 1,-0.3 2,-0.3 0.642 116.2 64.4 113.6 26.2 0.5 7.6 3.2 10 10 A G - 0 0 11 -9,-0.2 -1,-0.3 5,-0.1 2,-0.2 -0.950 55.8-148.3-172.1 152.1 1.4 4.6 1.1 11 11 A V B > -A 14 0A 73 3,-2.8 3,-3.0 -2,-0.3 2,-0.9 -0.707 56.0 -63.1-120.4 168.4 1.4 3.1 -2.4 12 12 A C T 3 S- 0 0 62 1,-0.3 -9,-0.1 -8,-0.3 3,-0.1 -0.384 127.1 -8.7 -58.5 99.2 1.1 -0.5 -3.5 13 13 A X T 3 S+ 0 0 54 -2,-0.9 2,-0.5 1,-0.1 -1,-0.3 0.546 117.7 105.0 91.7 5.8 4.3 -2.0 -2.1 14 14 A L B < +A 11 0A 105 -3,-3.0 -3,-2.8 4,-0.1 2,-0.3 -0.816 70.0 16.2-126.4 93.0 5.5 1.4 -1.0 15 15 A X S >> S- 0 0 68 -2,-0.5 3,-1.3 -5,-0.2 4,-1.1 -0.979 108.1 -28.7 147.5-159.1 5.3 2.3 2.6 16 16 A X T 34 S+ 0 0 91 -7,-0.4 -6,-0.1 -2,-0.3 -1,-0.1 0.547 121.1 64.2 -69.7 -9.9 4.8 0.7 6.0 17 17 A E T 34 S+ 0 0 46 -15,-0.1 -1,-0.3 0, 0.0 -14,-0.1 0.612 123.1 13.9 -87.4 -14.9 2.8 -2.2 4.9 18 18 A C T <4 0 0 42 -3,-1.3 -2,-0.2 -17,-0.0 -4,-0.1 0.623 360.0 360.0-121.6 -70.8 5.7 -3.5 2.8 19 19 A I < 0 0 181 -4,-1.1 -5,-0.1 -6,-0.1 -6,-0.0 0.628 360.0 360.0-111.3 360.0 9.1 -1.9 3.6