==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 28-JAN-04 1S6W . COMPND 2 MOLECULE: HEPCIDIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.J.BABON,S.SINGH,M.W.PENNINGTON,R.S.NORTON,M.E.WESTERMAN . 21 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 38.1 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 . 4 19.0 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 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 4.8 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 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 ANTIPARALLEL 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 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 G 0 0 122 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.5 -13.0 -5.2 0.5 2 2 A a - 0 0 57 18,-0.0 2,-0.3 2,-0.0 17,-0.2 -0.973 360.0-147.7-146.1 160.1 -9.3 -4.1 0.3 3 3 A R E -A 18 0A 179 15,-3.8 15,-4.2 -2,-0.3 2,-0.4 -0.938 23.7-109.7-131.5 155.7 -6.6 -4.1 -2.5 4 4 A F E +A 17 0A 139 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.654 39.5 179.9 -84.3 133.8 -2.8 -4.5 -2.5 5 5 A b E -A 16 0A 24 11,-3.3 11,-3.6 -2,-0.4 3,-0.2 -0.967 28.7-153.5-133.9 151.1 -0.9 -1.3 -3.3 6 6 A c S S+ 0 0 81 -2,-0.3 9,-0.1 9,-0.3 6,-0.1 -0.125 88.8 46.9-115.0 39.0 2.9 -0.5 -3.5 7 7 A N + 0 0 158 9,-0.1 -1,-0.2 6,-0.0 8,-0.1 -0.082 66.1 113.0-170.6 55.5 2.8 3.2 -2.6 8 8 A C S S+ 0 0 65 1,-0.3 -2,-0.1 -3,-0.2 7,-0.0 0.767 84.4 13.5 -99.9 -37.1 0.7 3.9 0.5 9 9 A C S > S- 0 0 65 3,-0.2 2,-2.8 0, 0.0 3,-0.7 -0.996 71.6-119.8-146.4 137.6 3.3 5.1 3.0 10 10 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.241 99.5 73.5 -72.8 55.4 7.0 6.1 2.7 11 11 A N T 3 S+ 0 0 152 -2,-2.8 2,-0.3 1,-0.2 0, 0.0 0.143 80.5 66.9-154.0 24.7 8.1 3.3 5.0 12 12 A M < - 0 0 110 -3,-0.7 2,-2.0 2,-0.1 -1,-0.2 -0.842 58.0-153.1-153.8 113.0 7.9 -0.0 3.0 13 13 A S S S+ 0 0 140 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.0 -0.351 84.3 29.0 -82.2 61.8 9.9 -1.0 -0.1 14 14 A G S S- 0 0 36 -2,-2.0 2,-0.3 -9,-0.1 -2,-0.1 -0.685 102.6 -51.9-174.1-128.6 7.1 -3.3 -1.5 15 15 A c - 0 0 50 -2,-0.2 -9,-0.3 -9,-0.1 2,-0.2 -0.970 41.2-175.9-137.4 153.1 3.3 -3.4 -1.3 16 16 A G E -A 5 0A 11 -11,-3.6 -11,-3.3 -2,-0.3 2,-0.4 -0.772 40.0 -73.5-136.5-177.6 0.7 -3.3 1.5 17 17 A V E -A 4 0A 109 -13,-0.2 2,-0.4 -2,-0.2 -13,-0.2 -0.681 45.1-169.4 -85.1 129.3 -3.1 -3.6 1.9 18 18 A b E +A 3 0A 26 -15,-4.2 -15,-3.8 -2,-0.4 3,-0.0 -0.965 20.2 169.9-120.9 131.4 -5.0 -0.5 0.8 19 19 A a + 0 0 82 -2,-0.4 2,-0.6 -17,-0.2 -1,-0.1 0.280 56.2 89.9-120.6 9.0 -8.8 0.0 1.5 20 20 A R 0 0 224 1,-0.1 -18,-0.0 -17,-0.1 -1,-0.0 -0.918 360.0 360.0-111.0 119.4 -9.1 3.7 0.4 21 21 A F 0 0 206 -2,-0.6 -1,-0.1 -3,-0.0 -2,-0.0 0.534 360.0 360.0-142.5 360.0 -10.0 4.3 -3.3