==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-OCT-99 1D6B . COMPND 2 MOLECULE: DEFENSIN-LIKE PEPTIDE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ORNITHORHYNCHUS ANATINUS; . AUTHOR A.M.TORRES,G.M.DE PLATER,M.DOVERSKOG,L.C BIRINYI-STRACHAN, . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 45.2 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 . 3 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 4.8 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 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 . 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 I 0 0 213 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.4 3.8 6.6 -12.0 2 2 A M - 0 0 135 1,-0.1 3,-0.1 0, 0.0 4,-0.1 -0.202 360.0-101.6 70.8-165.7 3.6 7.6 -8.4 3 3 A F - 0 0 188 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.490 66.1 -82.8-129.9 -19.7 6.3 6.8 -5.9 4 4 A F S S+ 0 0 182 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.892 81.6 117.3 154.5-119.0 4.9 3.7 -4.1 5 5 A E - 0 0 141 -2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.690 53.8-154.3 13.8 84.3 2.4 3.6 -1.2 6 6 A M - 0 0 85 24,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.854 45.6 -54.0 -44.0-108.7 -0.3 1.8 -3.1 7 7 A Q - 0 0 78 21,-0.0 5,-0.2 0, 0.0 -1,-0.2 -0.889 62.0 -92.6-148.4 112.6 -3.7 2.5 -1.6 8 8 A A >> - 0 0 6 -2,-0.3 3,-0.9 22,-0.3 4,-0.9 0.162 37.1-125.1 -23.1 115.8 -4.6 2.1 2.1 9 9 A a H 3>>S+ 0 0 6 22,-3.6 5,-1.5 1,-0.3 4,-0.6 0.755 113.5 54.1 -42.0 -26.7 -6.1 -1.4 2.2 10 10 A W H >45S+ 0 0 161 21,-0.2 3,-1.0 3,-0.2 -1,-0.3 0.918 89.2 71.4 -76.1 -46.4 -9.0 0.4 3.8 11 11 A S H <45S+ 0 0 67 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 115.7 28.3 -41.2 -28.5 -9.5 2.9 1.0 12 12 A H H 3<5S- 0 0 95 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.540 118.7-109.9-110.6 -13.7 -10.8 -0.0 -1.1 13 13 A S T <<5 + 0 0 104 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.1 0.967 66.7 131.6 81.1 72.8 -12.1 -2.1 1.8 14 14 A G < - 0 0 29 -5,-1.5 2,-0.3 28,-0.1 27,-0.2 -0.394 45.9-105.4-129.9-152.7 -9.8 -5.1 2.1 15 15 A V E -A 40 0A 41 25,-2.2 25,-1.7 -2,-0.1 2,-0.5 -0.883 13.2-129.7-140.2 170.9 -7.8 -7.1 4.7 16 16 A b E -A 39 0A 18 -2,-0.3 2,-0.4 23,-0.2 23,-0.2 -0.942 24.1-178.3-131.1 111.4 -4.3 -7.6 5.9 17 17 A R E -A 38 0A 62 21,-1.3 21,-2.3 -2,-0.5 4,-0.3 -0.849 45.4 -76.5-110.2 144.6 -2.9 -11.1 6.3 18 18 A D E > -A 37 0A 107 -2,-0.4 3,-3.4 19,-0.2 19,-0.2 0.021 43.3-119.6 -35.5 133.3 0.6 -12.1 7.6 19 19 A K T 3 S+ 0 0 116 17,-2.1 -1,-0.2 1,-0.3 18,-0.1 0.842 119.5 48.5 -47.4 -37.6 3.2 -11.5 4.9 20 20 A S T 3 S+ 0 0 113 16,-0.2 2,-0.5 3,-0.0 -1,-0.3 0.101 84.0 143.0 -91.2 21.9 4.0 -15.2 5.1 21 21 A E X - 0 0 47 -3,-3.4 3,-0.6 -4,-0.3 -4,-0.1 -0.514 42.0-159.9 -68.8 117.1 0.2 -15.9 4.9 22 22 A R T 3 S+ 0 0 205 -2,-0.5 -1,-0.2 1,-0.3 -3,-0.1 0.474 90.7 52.2 -74.9 -1.4 -0.3 -19.0 2.8 23 23 A N T 3 S+ 0 0 97 -5,-0.2 2,-0.5 2,-0.0 -1,-0.3 -0.481 76.3 123.5-134.1 63.3 -3.9 -17.8 2.4 24 24 A c < - 0 0 19 -3,-0.6 15,-0.1 -5,-0.1 -8,-0.0 -0.959 49.0-147.6-130.4 115.7 -3.6 -14.2 1.1 25 25 A K - 0 0 85 -2,-0.5 16,-1.5 17,-0.3 -2,-0.0 -0.688 32.4-119.2 -83.4 100.0 -5.3 -13.1 -2.1 26 26 A P B -B 40 0A 121 0, 0.0 2,-0.9 0, 0.0 14,-0.2 -0.114 26.4-160.6 -41.7 112.5 -3.0 -10.4 -3.5 27 27 A M - 0 0 70 12,-2.1 12,-0.1 -12,-0.1 -13,-0.0 -0.762 12.0-153.3-103.9 87.1 -5.1 -7.2 -3.6 28 28 A A S S+ 0 0 46 -2,-0.9 3,-0.0 1,-0.1 -21,-0.0 0.189 70.2 40.9 -47.0 176.3 -3.3 -4.9 -6.0 29 29 A W S S+ 0 0 198 1,-0.1 2,-0.2 -23,-0.0 -1,-0.1 0.926 102.5 75.2 40.2 73.8 -3.6 -1.1 -5.8 30 30 A T - 0 0 5 -19,-0.0 -22,-0.3 -18,-0.0 9,-0.2 -0.578 55.5-159.7 159.1 137.0 -3.5 -0.9 -2.0 31 31 A Y - 0 0 93 -2,-0.2 -22,-3.6 -26,-0.1 -21,-0.2 -0.736 14.7-127.0-125.4 174.5 -1.0 -1.1 0.9 32 32 A b - 0 0 22 5,-0.3 7,-0.1 -2,-0.2 -24,-0.1 -0.628 18.8-122.4-116.9 176.8 -1.1 -1.7 4.6 33 33 A E S S+ 0 0 160 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.674 92.9 79.0 -91.5 -21.2 0.1 0.0 7.8 34 34 A N S > S- 0 0 90 1,-0.1 3,-1.7 4,-0.0 -2,-0.2 -0.806 71.0-149.8 -94.1 117.8 2.2 -3.0 8.9 35 35 A R T 3 S+ 0 0 245 -2,-0.6 -1,-0.1 1,-0.3 3,-0.0 0.315 102.9 44.4 -67.1 12.9 5.5 -3.3 7.1 36 36 A N T 3 S+ 0 0 71 2,-0.0 -17,-2.1 -17,-0.0 2,-0.3 0.401 99.2 83.1-132.3 -9.1 5.0 -7.0 7.7 37 37 A Q E < -A 18 0A 70 -3,-1.7 2,-0.3 -19,-0.2 -5,-0.3 -0.727 66.4-138.8-102.1 151.0 1.3 -7.4 6.8 38 38 A K E -A 17 0A 54 -21,-2.3 -21,-1.3 -2,-0.3 2,-0.8 -0.770 11.3-128.0-108.2 153.9 -0.1 -7.9 3.3 39 39 A a E +A 16 0A 16 -2,-0.3 -12,-2.1 -9,-0.2 -23,-0.2 -0.869 40.2 162.9-105.1 105.4 -3.3 -6.4 1.7 40 40 A c E -AB 15 26A 0 -25,-1.7 -25,-2.2 -2,-0.8 -16,-0.0 -0.545 51.7 -88.9-112.3 179.0 -5.5 -9.0 0.2 41 41 A E 0 0 110 -16,-1.5 -1,-0.1 1,-0.2 -17,-0.0 0.976 360.0 360.0 -50.7 -73.0 -9.1 -9.2 -0.9 42 42 A Y 0 0 186 -28,-0.2 -17,-0.3 -3,-0.0 -1,-0.2 -0.996 360.0 360.0-140.1 360.0 -10.7 -10.3 2.4