==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 18-JUL-13 4BY8 . COMPND 2 MOLECULE: PARACELSIN-X; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR R.GESSMANN,K.PETRATOS . 20 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 85.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 70.0 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 1 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 X > 0 0 142 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.2 -4.1 21.6 46.1 2 2 A A H > + 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.945 360.0 47.9 -68.3 -49.6 -2.4 18.2 46.5 3 3 A X H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 115.5 46.8 -53.0 -52.6 -5.6 16.1 46.8 4 4 A X H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 111.3 50.5 -58.1 -44.9 -7.0 17.8 43.7 5 5 A X H X S+ 0 0 76 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.948 112.7 46.1 -50.7 -53.9 -3.9 17.4 41.7 6 6 A A H X S+ 0 0 54 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.894 111.1 51.9 -61.5 -41.2 -3.6 13.8 42.5 7 7 A Q H X S+ 0 0 116 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.926 106.6 52.9 -66.4 -45.1 -7.3 13.1 41.8 8 8 A X H X S+ 0 0 80 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.918 112.8 46.3 -56.1 -43.3 -7.2 14.8 38.3 9 9 A V H X S+ 0 0 92 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.917 109.5 52.5 -65.6 -44.4 -4.2 12.6 37.4 10 10 A X H < S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.4 44.0 -55.7 -41.3 -5.7 9.4 38.7 11 11 A G H < S+ 0 0 46 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.888 117.4 43.8 -69.5 -44.8 -8.8 10.1 36.6 12 12 A X H >X S+ 0 0 69 -4,-2.3 4,-1.6 -5,-0.2 3,-1.6 0.829 95.6 81.1 -69.0 -41.1 -6.9 11.1 33.4 13 13 A X H 3X S+ 0 0 56 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.803 89.8 45.0 -39.1 -62.7 -4.3 8.3 33.5 14 14 A P H 3> S+ 0 0 67 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.648 109.1 59.2 -62.4 -30.1 -6.1 5.4 32.0 15 15 A V H X> S+ 0 0 72 -3,-1.6 4,-0.7 -4,-0.3 3,-0.6 0.958 108.0 44.5 -60.5 -55.0 -7.5 7.7 29.2 16 16 A X H >X S+ 0 0 41 -4,-1.6 4,-2.3 1,-0.2 3,-1.6 0.909 108.0 60.8 -55.1 -40.6 -4.1 8.5 28.0 17 17 A X H 3< S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 100.2 54.4 -56.7 -35.4 -3.1 4.8 28.4 18 18 A Q H << S+ 0 0 139 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.665 115.8 37.8 -72.4 -24.7 -5.8 3.8 25.8 19 19 A Q H << 0 0 146 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.671 360.0 360.0-108.2 -16.3 -4.4 6.1 23.2 20 20 A X < 0 0 192 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.341 360.0 360.0-138.6 360.0 -0.6 5.9 23.7