==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE/ANTIBIOTIC 19-NOV-04 1WCO . COMPND 2 MOLECULE: NISIN Z; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR S.-T.D.HSU,E.BREUKINK,E.TISCHENKO,M.A.G.LUTTERS,B.DE KRUIJFF . 39 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 38.5 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 . 5 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 10.3 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 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 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 3 L A 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.2 6.5 12.5 -5.6 2 4 L X 0 0 102 6,-0.1 3,-3.2 4,-0.0 4,-0.4 -0.982 360.0 360.0 148.7 360.0 6.2 9.0 -4.1 3 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 4 5 L K 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.2 4.4 8.3 -8.3 5 6 L X 0 0 20 -3,-3.2 18,-0.4 16,-0.1 16,-0.2 0.808 360.0 360.0 -59.8 -31.2 2.8 5.4 -6.4 6 7 L X 0 0 70 -4,-0.4 15,-0.2 15,-0.2 11,-0.1 -0.513 360.0 360.0 -63.3 360.0 -0.3 6.1 -8.4 7 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 8 1 N I 0 0 94 0, 0.0 -6,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 165.3 3.4 8.4 -0.4 9 2 N X - 0 0 74 1,-0.1 5,-0.1 2,-0.0 -7,-0.0 0.825 360.0-141.4 -47.7 -39.6 4.2 11.9 0.5 10 3 N X + 0 0 40 3,-0.1 -1,-0.1 -8,-0.0 4,-0.0 0.947 62.2 122.9 74.2 54.8 0.9 12.3 2.3 11 4 N I S S+ 0 0 152 2,-0.0 -2,-0.0 0, 0.0 -1,-0.0 0.553 85.8 4.3-110.2 -20.7 -0.1 15.9 1.5 12 5 N X S S+ 0 0 78 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.304 129.2 2.6-124.6-108.8 -3.3 14.7 0.0 13 6 N L > - 0 0 143 2,-0.0 2,-0.9 1,-0.0 4,-0.8 -0.592 69.1-165.4 -93.4 71.8 -5.2 11.5 -0.4 14 7 N C T 4 + 0 0 76 -2,-1.5 -1,-0.0 1,-0.2 -5,-0.0 -0.453 68.1 26.9 -63.1 100.1 -2.7 9.3 1.5 15 8 N X T >> S+ 0 0 51 -2,-0.9 3,-1.5 0, 0.0 4,-0.8 -0.262 97.3 73.0 147.8 -59.0 -3.6 5.8 0.7 16 9 N P H 3> S+ 0 0 79 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.836 107.0 47.7 -55.1 -28.7 -5.4 5.4 -2.7 17 10 N G H 3< S+ 0 0 16 -4,-0.8 4,-0.2 1,-0.2 -3,-0.1 0.617 94.0 77.5 -85.9 -13.3 -1.9 6.0 -4.1 18 11 N C H <4 S- 0 0 46 -3,-1.5 -1,-0.2 1,-0.2 -4,-0.1 0.777 128.1 -9.5 -66.4 -28.5 -0.4 3.5 -1.7 19 12 N K H < S+ 0 0 89 -4,-0.8 7,-1.3 -3,-0.4 6,-0.8 0.322 104.6 104.5-151.3 1.9 -1.6 0.7 -3.9 20 13 N X S < S+ 0 0 33 -4,-1.4 -3,-0.2 -5,-0.3 -14,-0.1 0.548 82.6 62.4 -67.2 -4.5 -4.0 2.3 -6.4 21 14 N G S >> S- 0 0 5 -16,-0.2 4,-3.0 -4,-0.2 3,-2.7 -0.059 118.8 -51.7-104.4-153.3 -1.1 1.8 -8.9 22 15 N A T 34 S+ 0 0 107 1,-0.3 -16,-0.1 2,-0.2 -2,-0.1 0.543 121.9 77.2 -62.3 -6.6 0.9 -0.9 -10.5 23 16 N L T 34 S- 0 0 107 -18,-0.4 -1,-0.3 1,-0.0 -3,-0.1 0.605 128.2 -15.8 -78.3 -13.1 1.5 -2.2 -7.0 24 17 N M T <4 S- 0 0 83 -3,-2.7 -2,-0.2 -5,-0.2 -4,-0.2 0.360 77.1-122.2-154.4 -46.7 -2.0 -3.6 -7.0 25 18 N G S < S- 0 0 55 -4,-3.0 -5,-0.2 -6,-0.8 -3,-0.1 0.610 76.3 -64.7 92.6 18.0 -4.1 -2.2 -9.9 26 19 N C - 0 0 59 -7,-1.3 -6,-0.1 -5,-0.5 -4,-0.0 0.990 64.6-165.0 63.2 82.9 -6.5 -1.1 -7.2 27 20 N N + 0 0 62 -8,-0.2 3,-0.1 1,-0.1 -7,-0.0 0.991 26.5 157.2 -57.9 -81.2 -7.8 -4.3 -5.8 28 21 N M + 0 0 177 1,-0.2 3,-0.2 2,-0.1 2,-0.2 0.528 39.8 128.7 63.1 6.3 -10.9 -3.4 -3.8 29 22 N K + 0 0 152 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.569 30.0 69.2 -91.6 156.8 -11.9 -7.0 -4.2 30 23 N X + 0 0 70 -2,-0.2 2,-1.4 -3,-0.1 -1,-0.2 0.564 54.0 140.8 110.7 19.4 -13.0 -9.4 -1.4 31 24 N A S S- 0 0 97 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.0 -0.587 93.4 -29.2 -93.6 72.4 -16.4 -7.7 -0.7 32 25 N X S > S+ 0 0 61 -2,-1.4 3,-1.1 -3,-0.1 -1,-0.2 0.815 88.0 146.4 88.1 35.3 -18.5 -10.7 -0.0 33 26 N C T 3 S+ 0 0 87 1,-0.3 -2,-0.1 -3,-0.1 -4,-0.0 0.750 86.2 34.5 -71.8 -23.3 -16.5 -13.0 -2.3 34 27 N N T 3 S+ 0 0 120 -4,-0.1 2,-1.9 1,-0.1 3,-0.3 0.006 85.3 124.3-116.0 22.7 -17.4 -15.8 0.1 35 28 N C < + 0 0 61 -3,-1.1 -1,-0.1 1,-0.2 -4,-0.0 -0.440 15.6 143.2 -85.3 63.0 -20.7 -14.3 0.9 36 29 N S + 0 0 97 -2,-1.9 -1,-0.2 2,-0.0 -3,-0.0 0.574 31.6 132.4 -76.3 -9.6 -22.7 -17.4 0.0 37 30 N I + 0 0 133 -3,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.141 17.0 145.9 -47.0 126.6 -24.9 -16.4 2.9 38 31 N H S S- 0 0 177 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.479 77.8 -22.5-126.2 -82.5 -28.6 -16.6 2.0 39 32 N V S S- 0 0 129 1,-0.0 2,-2.0 0, 0.0 -2,-0.1 0.339 76.1-136.9-118.5 -0.7 -31.1 -17.6 4.6 40 33 N X 0 0 97 1,-0.0 -3,-0.0 0, 0.0 -1,-0.0 -0.264 360.0 360.0 77.3 -54.6 -28.7 -19.4 6.8 41 34 N K 0 0 233 -2,-2.0 -1,-0.0 -3,-0.0 0, 0.0 -0.799 360.0 360.0-145.5 360.0 -30.7 -22.5 7.6