==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 02-FEB-99 1B8W . COMPND 2 MOLECULE: PROTEIN (DEFENSIN-LIKE PEPTIDE 1); . SOURCE 2 ORGANISM_SCIENTIFIC: ORNITHORHYNCHUS ANATINUS; . AUTHOR A.M.TORRES,X.WANG,J.I.FLETCHER,D.ALEWOOD,P.F.ALEWOOD, . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 50.0 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 . 7 16.7 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 . 6 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 9.5 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 . 1 2.4 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 . 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 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 F 0 0 241 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.2 -1.2 19.4 11.4 2 2 A V - 0 0 104 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.812 360.0-106.6-141.5-179.1 -0.1 16.8 8.8 3 3 A Q - 0 0 103 -2,-0.2 2,-1.3 2,-0.0 -1,-0.0 -0.357 44.4 -85.2-103.7-174.3 2.2 16.4 5.8 4 4 A H + 0 0 187 -2,-0.1 -1,-0.0 0, 0.0 0, 0.0 -0.557 67.2 149.0 -94.4 69.8 1.6 16.0 2.1 5 5 A R - 0 0 128 -2,-1.3 3,-0.1 1,-0.2 -2,-0.0 -0.916 35.4-150.3-109.2 120.5 1.0 12.3 2.0 6 6 A P - 0 0 112 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.830 58.3 -32.7 -50.6-115.9 -1.4 10.9 -0.7 7 7 A R - 0 0 126 22,-0.3 24,-0.7 1,-0.1 25,-0.1 -0.898 55.1-158.9-117.1 145.3 -3.3 7.8 0.3 8 8 A D - 0 0 12 -2,-0.4 23,-0.7 22,-0.3 24,-0.3 0.191 31.8-102.4 -94.4-144.1 -2.2 4.9 2.6 9 9 A a S > >S+ 0 0 0 21,-0.4 5,-2.1 5,-0.1 3,-1.3 0.711 113.3 49.6-114.6 -43.2 -3.4 1.3 2.8 10 10 A E G > 5S+ 0 0 154 21,-0.3 3,-1.1 1,-0.3 22,-0.1 0.788 102.3 64.4 -69.3 -28.1 -5.6 1.3 5.9 11 11 A S G 3 5S+ 0 0 87 1,-0.3 -1,-0.3 20,-0.2 -2,-0.1 0.463 107.4 44.0 -74.5 -0.1 -7.4 4.4 4.7 12 12 A I G < 5S- 0 0 50 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.305 124.9 -99.0-123.1 2.0 -8.6 2.2 1.8 13 13 A N T < 5S+ 0 0 130 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.851 84.5 121.2 80.4 37.5 -9.5 -0.8 3.9 14 14 A G < - 0 0 2 -5,-2.1 2,-0.3 27,-0.1 -1,-0.2 -0.494 57.4-107.9-118.8-170.7 -6.3 -2.7 3.1 15 15 A V E -A 40 0A 24 25,-2.0 25,-1.6 -2,-0.2 2,-0.6 -0.815 16.3-129.1-121.3 161.6 -3.4 -4.2 4.9 16 16 A b E +A 39 0A 29 -2,-0.3 23,-0.2 23,-0.2 2,-0.1 -0.882 43.5 148.0-115.3 101.0 0.3 -3.3 5.3 17 17 A R E -A 38 0A 105 21,-1.8 21,-1.5 -2,-0.6 2,-0.3 -0.281 52.1 -59.7-112.4-161.1 2.7 -6.2 4.5 18 18 A H E > -A 37 0A 111 19,-0.2 3,-2.6 1,-0.1 19,-0.2 -0.694 35.0-130.9 -89.8 138.0 6.2 -6.5 3.0 19 19 A K T 3 S+ 0 0 134 17,-1.2 -1,-0.1 -2,-0.3 18,-0.1 0.527 114.2 45.8 -62.7 -2.7 6.9 -5.2 -0.5 20 20 A D T 3 S+ 0 0 143 18,-0.1 -1,-0.3 1,-0.0 17,-0.0 0.049 79.6 126.9-127.2 22.7 8.4 -8.6 -1.0 21 21 A T < - 0 0 45 -3,-2.6 -2,-0.1 3,-0.1 4,-0.0 0.872 60.8-127.0 -44.5-105.0 5.7 -10.8 0.5 22 22 A V S S+ 0 0 137 -4,-0.2 -1,-0.1 0, 0.0 -3,-0.0 -0.021 81.4 3.1-175.3 -65.4 4.7 -13.4 -2.0 23 23 A N S S+ 0 0 136 2,-0.1 2,-1.3 1,-0.0 -2,-0.0 0.043 87.3 118.4-131.3 23.5 1.0 -13.7 -2.9 24 24 A c S S- 0 0 26 -6,-0.1 -7,-0.1 16,-0.1 -3,-0.1 -0.458 70.8-129.8 -91.3 62.4 -0.4 -10.8 -0.8 25 25 A R - 0 0 158 -2,-1.3 16,-1.4 15,-0.2 2,-0.3 0.348 23.3-132.9 -10.8 128.9 -1.7 -8.8 -3.8 26 26 A E B -B 40 0A 76 14,-0.2 2,-0.9 15,-0.1 14,-0.3 -0.717 4.4-127.7 -99.5 149.4 -0.5 -5.3 -3.5 27 27 A I > - 0 0 33 12,-1.0 3,-1.0 -2,-0.3 2,-0.9 -0.788 11.4-163.3-100.0 95.0 -2.6 -2.1 -3.9 28 28 A F T 3 S+ 0 0 169 -2,-0.9 -1,-0.1 1,-0.3 3,-0.1 0.210 93.0 48.2 -61.0 21.9 -0.9 0.1 -6.4 29 29 A L T 3 S+ 0 0 115 -2,-0.9 2,-0.4 1,-0.2 -22,-0.3 0.573 99.5 65.3-130.5 -35.9 -3.2 2.7 -5.0 30 30 A A < - 0 0 4 -3,-1.0 9,-0.6 -21,-0.1 -21,-0.4 -0.789 67.5-152.0 -99.0 137.6 -2.9 2.5 -1.2 31 31 A D - 0 0 72 -24,-0.7 -21,-0.3 -23,-0.7 -20,-0.2 -0.504 7.3-131.1-101.3 172.2 0.3 3.3 0.6 32 32 A b - 0 0 12 5,-0.4 -1,-0.2 -24,-0.3 6,-0.1 0.091 10.5-131.7 -99.6-147.6 1.8 2.0 3.9 33 33 A Y S S+ 0 0 158 -25,-0.1 5,-0.1 5,-0.1 -1,-0.0 0.324 94.0 67.9-149.2 -9.7 3.2 3.8 6.9 34 34 A N S S- 0 0 112 3,-0.1 4,-0.1 4,-0.0 -18,-0.0 0.664 92.1-133.6 -89.9 -21.2 6.5 1.9 7.5 35 35 A D S S+ 0 0 154 2,-0.3 -1,-0.0 1,-0.1 -3,-0.0 0.057 100.3 59.4 88.8 -25.2 8.1 3.1 4.3 36 36 A G S S+ 0 0 24 2,-0.1 -17,-1.2 -19,-0.0 2,-0.2 0.460 93.9 75.5-111.1 -5.6 9.2 -0.4 3.5 37 37 A Q E -A 18 0A 54 -19,-0.2 -5,-0.4 -18,-0.1 -2,-0.3 -0.671 61.8-156.3-106.0 162.1 5.8 -2.0 3.5 38 38 A K E -A 17 0A 28 -21,-1.5 -21,-1.8 -2,-0.2 2,-0.2 -0.703 27.4 -84.8-127.4 179.2 3.0 -1.9 0.8 39 39 A a E -A 16 0A 0 -9,-0.6 -12,-1.0 -12,-0.3 2,-0.3 -0.610 39.8-171.3 -89.3 148.9 -0.7 -2.4 0.6 40 40 A c E -AB 15 26A 3 -25,-1.6 2,-3.4 -14,-0.3 -25,-2.0 -0.983 38.7-105.9-139.9 149.8 -2.4 -5.8 0.2 41 41 A R 0 0 126 -16,-1.4 -16,-0.1 -2,-0.3 -27,-0.1 -0.273 360.0 360.0 -71.0 58.5 -5.9 -7.0 -0.4 42 42 A K 0 0 156 -2,-3.4 -1,-0.2 -18,-0.1 -17,-0.1 0.839 360.0 360.0 32.0 360.0 -6.3 -8.1 3.2