==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-MAY-05 1ZUE . COMPND 2 MOLECULE: DEFENSIN-LIKE PEPTIDE 2/4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.TORRES,C.TSAMPAZI,D.P.GERAGHTY,P.S.BANSAL,P.F.ALEWOOD, . 42 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.8 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 . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.4 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 . 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 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 0 209 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 109.7 4.4 13.4 -5.3 2 2 A X - 0 0 160 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.901 360.0 -43.8 127.2-103.2 5.6 9.8 -5.0 3 3 A F S S- 0 0 199 -2,-0.5 2,-0.2 1,-0.5 -1,-0.2 0.579 104.6 -26.5-130.3 -57.3 4.7 7.5 -7.9 4 4 A F - 0 0 132 -3,-0.2 -1,-0.5 2,-0.0 0, 0.0 -0.649 67.8 -85.4-144.2-159.8 1.1 7.9 -9.0 5 5 A E + 0 0 148 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.290 63.8 154.9-115.6 45.8 -2.3 9.0 -7.6 6 6 A M - 0 0 77 1,-0.1 24,-0.2 24,-0.1 2,-0.2 -0.029 32.4-130.3 -64.8 174.6 -3.5 5.7 -6.1 7 7 A Q - 0 0 68 22,-0.1 24,-2.1 21,-0.1 2,-0.3 -0.567 29.8 -74.7-119.4-176.2 -6.0 5.5 -3.3 8 8 A A B > -a 31 0A 21 22,-0.2 4,-1.2 -2,-0.2 5,-0.2 -0.614 28.9-134.4 -85.1 141.6 -6.3 3.7 0.1 9 9 A a T 4>S+ 0 0 1 22,-1.4 5,-1.8 -2,-0.3 4,-0.4 0.781 112.2 38.0 -63.1 -27.1 -7.0 -0.0 0.2 10 10 A W T 45S+ 0 0 179 3,-0.2 -1,-0.2 2,-0.1 22,-0.1 0.578 102.0 73.7 -98.5 -14.3 -9.6 0.7 2.9 11 11 A S T 45S+ 0 0 81 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.848 116.1 16.6 -67.5 -34.4 -10.8 3.9 1.3 12 12 A H T <5S- 0 0 129 -4,-1.2 -2,-0.1 0, 0.0 -3,-0.1 0.834 123.0 -71.8-100.4 -76.8 -12.6 1.9 -1.4 13 13 A S T 5S+ 0 0 106 -4,-0.4 2,-0.2 -5,-0.2 -3,-0.2 -0.073 78.8 113.1 171.1 75.3 -13.0 -1.7 -0.5 14 14 A G < - 0 0 26 -5,-1.8 2,-0.3 28,-0.0 27,-0.2 -0.733 45.6-124.7-140.1-171.2 -10.0 -4.0 -0.5 15 15 A V E -B 40 0B 60 25,-2.1 25,-2.1 -2,-0.2 2,-0.7 -0.940 15.7-124.1-140.3 161.5 -7.7 -6.1 1.7 16 16 A b E +B 39 0B 30 -2,-0.3 23,-0.2 23,-0.2 2,-0.2 -0.890 36.4 173.7-112.6 103.1 -4.0 -6.4 2.5 17 17 A R E -B 38 0B 105 21,-2.0 21,-2.3 -2,-0.7 2,-0.1 -0.548 41.4 -76.9-102.8 170.1 -2.7 -9.9 2.0 18 18 A D E > -B 37 0B 100 19,-0.2 3,-1.6 -2,-0.2 19,-0.2 -0.419 31.5-134.1 -68.0 137.4 0.9 -11.3 2.1 19 19 A K T 3 S+ 0 0 111 17,-1.1 -1,-0.1 1,-0.3 18,-0.1 0.651 106.2 61.3 -65.2 -15.0 3.0 -10.6 -0.9 20 20 A S T 3 S+ 0 0 91 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.104 80.7 124.0 -99.2 21.3 4.0 -14.3 -0.9 21 21 A E < - 0 0 64 -3,-1.6 3,-0.2 1,-0.1 -4,-0.0 -0.460 51.9-155.7 -82.5 155.1 0.4 -15.5 -1.4 22 22 A R S S+ 0 0 249 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.544 89.6 50.2-103.6 -14.7 -0.6 -17.7 -4.2 23 23 A N S S+ 0 0 131 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.525 78.5 121.0-125.3 64.6 -4.2 -16.7 -4.3 24 24 A c - 0 0 20 -3,-0.2 15,-0.1 -2,-0.2 -3,-0.0 -0.981 46.4-154.6-133.0 123.6 -4.2 -12.9 -4.4 25 25 A K - 0 0 154 -2,-0.4 16,-1.8 17,-0.4 17,-0.1 -0.792 21.3-144.5 -97.9 95.8 -5.7 -10.7 -7.1 26 26 A P B -C 40 0B 92 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.375 15.0-155.9 -62.3 129.9 -3.7 -7.4 -7.1 27 27 A M - 0 0 104 12,-2.1 3,-0.3 -2,-0.1 12,-0.2 -0.829 4.1-137.3-110.2 148.0 -5.9 -4.3 -7.8 28 28 A A S S+ 0 0 59 -2,-0.3 -1,-0.1 1,-0.2 -21,-0.1 -0.096 79.5 49.8 -87.9-169.5 -4.7 -1.0 -9.2 29 29 A W S S+ 0 0 171 -23,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.814 108.9 66.5 45.1 35.8 -5.7 2.6 -8.2 30 30 A T - 0 0 19 -3,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.885 58.6-170.4-178.0 146.2 -5.0 1.6 -4.6 31 31 A Y B -a 8 0A 127 -24,-2.1 -22,-1.4 -2,-0.3 2,-0.2 -0.867 24.6-106.6-138.5 171.3 -2.1 0.5 -2.3 32 32 A b - 0 0 22 5,-0.3 7,-0.1 -2,-0.3 -16,-0.0 -0.586 18.4-128.6-100.0 163.4 -1.6 -0.9 1.2 33 33 A E S S+ 0 0 157 -2,-0.2 2,-0.2 5,-0.1 -1,-0.1 0.756 89.6 74.2 -79.8 -26.9 -0.2 0.8 4.3 34 34 A N S > S- 0 0 95 1,-0.1 3,-0.7 3,-0.0 -2,-0.2 -0.608 75.6-139.4 -89.9 149.6 2.4 -1.8 4.9 35 35 A R T 3 S+ 0 0 240 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.213 104.0 46.2 -90.1 15.0 5.6 -2.2 2.8 36 36 A N T 3 S+ 0 0 100 1,-0.0 -17,-1.1 2,-0.0 2,-0.4 0.136 100.5 77.1-139.3 16.1 5.2 -6.0 2.8 37 37 A Q E < -B 18 0B 70 -3,-0.7 -5,-0.3 -19,-0.2 2,-0.3 -0.983 64.5-141.7-133.2 143.1 1.5 -6.4 2.0 38 38 A K E -B 17 0B 67 -21,-2.3 -21,-2.0 -2,-0.4 2,-1.0 -0.790 19.7-121.7-105.3 148.2 -0.4 -6.1 -1.3 39 39 A a E +B 16 0B 10 -2,-0.3 -12,-2.1 -23,-0.2 -23,-0.2 -0.759 40.4 178.0 -91.1 101.0 -3.8 -4.6 -1.8 40 40 A c E -BC 15 26B 0 -25,-2.1 -25,-2.1 -2,-1.0 -16,-0.0 -0.560 40.8-112.3 -99.7 165.6 -6.0 -7.3 -3.3 41 41 A E 0 0 90 -16,-1.8 -1,-0.1 -27,-0.2 -25,-0.0 0.951 360.0 360.0 -60.6 -51.9 -9.7 -7.3 -4.2 42 42 A Y 0 0 200 -17,-0.1 -17,-0.4 -28,-0.1 -1,-0.2 -0.964 360.0 360.0-133.5 360.0 -10.6 -9.8 -1.5