==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 25-MAY-07 2JQ1 . COMPND 2 MOLECULE: PHYLLOSEPTIN-3; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.M.RESENDE,C.MENDONCA MORAES,F.C.L.ALMEIDA,M.V.PRATES, . 19 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 57.9 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 . 0 0.0 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 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 42.1 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 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 269 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.5 -11.4 2.6 -12.2 2 2 A L + 0 0 172 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.608 360.0 178.7 -76.2 119.2 -8.2 0.6 -11.3 3 3 A S + 0 0 81 -2,-0.6 4,-0.0 1,-0.1 0, 0.0 -0.876 25.1 177.5-121.2 154.9 -6.5 2.3 -8.3 4 4 A L > + 0 0 123 -2,-0.3 4,-0.8 2,-0.1 -1,-0.1 0.155 56.1 99.4-140.0 18.7 -3.4 1.4 -6.4 5 5 A I H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.957 89.5 40.2 -74.0 -49.4 -3.0 4.2 -3.8 6 6 A P H 4 S+ 0 0 93 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.776 112.0 58.6 -70.7 -25.5 -4.6 2.3 -0.8 7 7 A H H > S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.786 104.7 50.7 -75.1 -24.6 -2.7 -0.9 -1.8 8 8 A A H X S+ 0 0 53 -4,-0.8 4,-1.2 -3,-0.4 3,-0.3 0.874 104.6 55.0 -80.7 -36.9 0.7 0.8 -1.6 9 9 A I H X S+ 0 0 108 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.647 102.5 61.0 -71.2 -10.4 0.1 2.3 1.9 10 10 A N H 4 S+ 0 0 118 -4,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.866 106.0 42.5 -83.6 -37.1 -0.7 -1.3 3.1 11 11 A A H X S+ 0 0 70 -4,-0.8 4,-1.0 -3,-0.3 -2,-0.2 0.714 116.2 49.9 -81.4 -19.4 2.8 -2.7 2.3 12 12 A V H X S+ 0 0 70 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.889 104.0 55.2 -85.2 -42.3 4.6 0.3 3.6 13 13 A S H < S+ 0 0 87 -4,-1.2 4,-0.2 1,-0.2 -1,-0.2 0.699 107.9 54.0 -64.9 -15.2 2.8 0.5 7.0 14 14 A A H >> S+ 0 0 58 -4,-0.4 3,-2.1 1,-0.2 4,-0.8 0.896 96.2 60.8 -86.4 -43.5 3.9 -3.1 7.6 15 15 A L H 3< S+ 0 0 100 -4,-1.0 3,-0.4 1,-0.3 -2,-0.2 0.781 87.4 79.4 -55.5 -22.9 7.7 -2.7 7.0 16 16 A A T 3< S+ 0 0 79 -4,-0.9 -1,-0.3 1,-0.3 3,-0.2 0.862 93.9 47.2 -55.2 -33.4 7.6 -0.3 9.9 17 17 A N T <4 S+ 0 0 147 -3,-2.1 2,-0.8 -4,-0.2 -1,-0.3 0.804 112.0 53.4 -79.5 -27.5 7.6 -3.3 12.3 18 18 A H < 0 0 166 -4,-0.8 -1,-0.2 -3,-0.4 -4,-0.0 -0.805 360.0 360.0-110.8 94.6 10.5 -5.0 10.3 19 19 A G 0 0 123 -2,-0.8 -3,-0.0 -3,-0.2 -2,-0.0 -0.153 360.0 360.0 -91.9 360.0 13.4 -2.6 10.0