==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 09-JAN-01 1HVZ . COMPND 2 MOLECULE: THETA DEFENSIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.J.CRAIK,M.TRABI,H.J.SCHIRRA . 18 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1994.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 77.8 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 . 7 38.9 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 5.6 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 . 7 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 5.6 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 . 1 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 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 77 0, 0.0 2,-0.3 0, 0.0 17,-0.3 0.000 360.0 360.0 360.0 -27.6 7.6 2.1 3.5 2 2 A F B -A 17 0A 120 15,-2.5 15,-2.0 2,-0.1 2,-0.5 -0.905 360.0-169.7-161.1 128.8 5.2 -0.9 3.5 3 3 A a + 0 0 55 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.789 47.8 98.9-125.2 89.4 4.7 -4.0 1.3 4 4 A R S S- 0 0 203 -2,-0.5 2,-1.2 11,-0.4 11,-1.2 -0.772 82.7 -55.8-148.4-167.7 1.6 -5.8 2.1 5 5 A b E -B 14 0B 76 9,-0.2 2,-1.8 -2,-0.2 9,-0.3 -0.700 45.6-158.7 -86.4 96.2 -2.1 -6.3 1.1 6 6 A L E -B 13 0B 63 7,-2.2 7,-2.7 -2,-1.2 2,-0.7 -0.565 17.3-174.2 -76.5 85.4 -3.5 -2.8 1.2 7 7 A c E -B 12 0B 82 -2,-1.8 2,-0.3 5,-0.3 5,-0.3 -0.770 4.0-175.2 -90.5 117.4 -7.1 -3.8 1.5 8 8 A R E > -B 11 0B 157 3,-3.1 2,-2.4 -2,-0.7 3,-1.4 -0.783 44.9 -89.4-108.3 151.4 -9.6 -0.9 1.3 9 9 A R T 3 S+ 0 0 212 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.362 122.7 11.3 -62.5 79.3 -13.3 -1.2 1.8 10 10 A G T 3 S+ 0 0 54 -2,-2.4 2,-0.3 0, 0.0 -1,-0.3 0.059 129.3 47.4 139.4 -24.5 -14.1 -1.9 -1.9 11 11 A V E < -B 8 0B 91 -3,-1.4 -3,-3.1 2,-0.0 2,-0.5 -0.956 59.7-157.3-149.6 127.3 -10.6 -2.5 -3.4 12 12 A c E -B 7 0B 64 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.3 -0.901 11.9-177.9-106.8 125.4 -7.7 -4.7 -2.3 13 13 A R E -B 6 0B 171 -7,-2.7 -7,-2.2 -2,-0.5 2,-1.1 -0.861 8.3-171.9-128.5 100.6 -4.3 -3.8 -3.5 14 14 A b E +B 5 0B 73 -2,-0.5 -9,-0.2 -9,-0.3 2,-0.2 -0.758 38.8 127.1 -91.7 96.9 -1.4 -6.0 -2.5 15 15 A I - 0 0 91 -11,-1.2 2,-0.6 -2,-1.1 -11,-0.4 -0.723 62.1 -92.0-136.8-172.7 1.7 -4.2 -3.8 16 16 A a + 0 0 101 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.2 -0.933 39.8 178.3-113.7 112.8 5.1 -2.8 -2.7 17 17 A T B A 2 0A 46 -15,-2.0 -15,-2.5 -2,-0.6 -2,-0.0 -0.911 360.0 360.0-115.1 140.9 5.1 0.8 -1.5 18 18 A R 0 0 258 -2,-0.4 -15,-0.0 -17,-0.3 -2,-0.0 -0.368 360.0 360.0 -57.9 360.0 8.2 2.6 -0.2