==== 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 31-MAY-05 1ZUF . 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) . 3734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 2.4 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 . 1 2.4 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 . 3 7.1 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 . 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 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 I 0 0 159 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 -11.2 15.0 -0.4 2 2 A M - 0 0 173 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.030 360.0 -4.7-132.0 29.7 -9.6 17.4 -2.8 3 3 A F S S+ 0 0 167 1,-0.1 2,-1.9 3,-0.1 3,-0.1 0.096 93.0 113.8 173.7 -35.9 -6.6 15.3 -3.9 4 4 A F - 0 0 110 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.377 45.0-173.3 -61.4 85.3 -6.6 12.1 -1.9 5 5 A E + 0 0 184 -2,-1.9 -1,-0.2 -3,-0.1 -2,-0.0 0.947 65.0 18.8 -44.1 -74.4 -7.3 9.8 -4.8 6 6 A M S S+ 0 0 88 -3,-0.1 2,-0.3 24,-0.0 24,-0.1 -0.002 72.8 173.7 -85.4-165.0 -7.7 6.5 -2.9 7 7 A Q E -a 30 0A 63 22,-0.5 24,-1.6 -2,-0.0 26,-0.1 -0.949 36.5 -56.3 172.6 172.4 -8.5 6.0 0.8 8 8 A A E -a 31 0A 7 -2,-0.3 4,-0.3 22,-0.3 3,-0.3 0.056 44.2-119.5 -59.4 176.4 -9.3 3.5 3.5 9 9 A a > + 0 0 17 22,-1.3 4,-2.6 21,-0.2 -1,-0.1 -0.052 69.0 127.7-111.1 29.7 -12.3 1.1 3.3 10 10 A W T 4 S+ 0 0 190 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.815 89.1 25.0 -54.6 -32.0 -14.0 2.4 6.5 11 11 A S T 4 S+ 0 0 120 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.877 125.3 45.5 -97.4 -57.9 -17.1 2.9 4.4 12 12 A H T 4 S- 0 0 83 -4,-0.3 30,-0.2 1,-0.0 -2,-0.2 0.778 98.6-158.7 -57.8 -26.8 -16.8 0.5 1.5 13 13 A S < + 0 0 67 -4,-2.6 29,-0.3 18,-0.1 2,-0.3 0.260 21.1 159.4 63.0 163.5 -15.8 -2.1 4.0 14 14 A G - 0 0 23 27,-0.2 2,-0.9 -4,-0.1 27,-0.2 -0.936 46.3 -65.0 164.9 174.5 -13.8 -5.2 3.2 15 15 A V E -B 40 0B 48 25,-1.1 25,-2.3 -2,-0.3 2,-1.2 -0.778 41.1-151.3 -91.9 105.7 -11.6 -8.1 4.4 16 16 A b E +B 39 0B 58 -2,-0.9 23,-0.2 23,-0.3 2,-0.2 -0.629 43.9 131.7 -79.0 96.1 -8.2 -6.6 5.6 17 17 A R E -B 38 0B 134 21,-1.9 21,-2.0 -2,-1.2 2,-0.2 -0.517 60.5 -47.4-128.2-164.3 -5.8 -9.5 4.9 18 18 A D E > -B 37 0B 81 19,-0.2 3,-2.4 -2,-0.2 19,-0.2 -0.503 44.9-126.7 -74.5 138.5 -2.4 -10.1 3.3 19 19 A K T 3 S+ 0 0 80 17,-1.7 -1,-0.1 1,-0.3 18,-0.1 0.793 115.1 48.1 -52.5 -29.3 -1.8 -8.6 -0.1 20 20 A S T 3 S+ 0 0 107 16,-0.3 -1,-0.3 3,-0.0 2,-0.1 -0.098 83.3 154.6-103.9 33.5 -0.8 -12.1 -1.2 21 21 A E X - 0 0 30 -3,-2.4 3,-0.8 1,-0.1 -4,-0.0 -0.404 41.1-148.7 -65.4 134.0 -3.9 -13.7 0.4 22 22 A R T 3 S+ 0 0 236 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.208 97.0 43.5 -87.7 14.7 -4.8 -17.0 -1.2 23 23 A N T 3 S+ 0 0 110 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 -0.095 81.5 138.0-150.2 38.5 -8.5 -16.4 -0.4 24 24 A c < - 0 0 42 -3,-0.8 15,-0.0 -5,-0.1 -5,-0.0 -0.560 39.2-140.9 -90.0 154.5 -9.0 -12.7 -1.2 25 25 A K - 0 0 95 -2,-0.2 2,-2.1 -10,-0.1 16,-0.1 -0.467 48.4 -57.7-105.5 179.1 -12.1 -11.3 -3.0 26 26 A P - 0 0 87 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 -0.326 67.0-157.8 -59.9 80.2 -12.5 -8.6 -5.7 27 27 A M - 0 0 85 -2,-2.1 2,-0.2 14,-0.1 13,-0.2 -0.035 3.7-142.7 -55.8 164.0 -10.9 -5.8 -3.7 28 28 A A - 0 0 22 11,-1.0 11,-0.2 2,-0.4 -1,-0.1 -0.695 36.7 -79.8-124.8 177.6 -11.7 -2.2 -4.5 29 29 A W S S+ 0 0 138 -2,-0.2 -22,-0.5 -23,-0.1 10,-0.1 0.785 105.2 94.0 -47.6 -29.9 -9.8 1.2 -4.7 30 30 A T E -a 7 0A 5 -24,-0.1 -2,-0.4 -17,-0.1 9,-0.3 -0.279 59.5-173.3 -65.5 152.0 -10.3 1.2 -0.9 31 31 A Y E -a 8 0A 49 -24,-1.6 -22,-1.3 1,-0.2 7,-0.2 -0.774 30.3-120.7-137.1-179.1 -7.5 -0.1 1.3 32 32 A b - 0 0 34 5,-0.6 -1,-0.2 2,-0.3 -23,-0.1 0.928 56.1 -95.7 -89.9 -66.3 -6.6 -0.9 4.9 33 33 A E S S+ 0 0 147 4,-0.8 2,-0.2 1,-0.6 5,-0.1 -0.034 94.3 66.1 178.5 -56.6 -3.6 1.2 5.8 34 34 A N S > S- 0 0 103 1,-0.1 3,-1.3 3,-0.0 -1,-0.6 -0.606 76.5-125.7 -90.0 150.2 -0.3 -0.7 5.4 35 35 A R T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -2,-0.2 -16,-0.1 0.571 110.5 62.4 -69.1 -8.0 1.0 -1.8 2.1 36 36 A N T 3 S+ 0 0 99 1,-0.2 -17,-1.7 -18,-0.1 2,-0.4 0.666 104.5 49.6 -89.8 -19.8 1.3 -5.3 3.6 37 37 A Q E < -B 18 0B 51 -3,-1.3 -4,-0.8 -19,-0.2 -5,-0.6 -0.981 68.6-167.9-125.8 131.6 -2.5 -5.5 4.2 38 38 A K E -B 17 0B 48 -21,-2.0 -21,-1.9 -2,-0.4 2,-1.0 -0.850 25.4-121.6-117.3 153.6 -5.2 -4.8 1.6 39 39 A a E -B 16 0B 2 -9,-0.3 -11,-1.0 -2,-0.3 -23,-0.3 -0.771 37.3-172.3 -96.3 94.6 -9.0 -4.4 2.0 40 40 A c E -B 15 0B 3 -25,-2.3 -25,-1.1 -2,-1.0 2,-0.5 -0.136 41.4 -66.8 -76.9 177.2 -10.6 -7.0 -0.2 41 41 A E 0 0 64 -27,-0.2 -27,-0.2 -16,-0.1 -1,-0.1 -0.565 360.0 360.0 -71.8 115.9 -14.3 -7.4 -1.0 42 42 A Y 0 0 170 -2,-0.5 -1,-0.1 -29,-0.3 -3,-0.0 0.071 360.0 360.0 -35.7 360.0 -16.1 -8.3 2.2