==== 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 28-MAY-07 2JQ2 . COMPND 2 MOLECULE: PW2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.C.ALMEIDA,L.W.TINOCO,F.GOMES-NETO,A.P.VALENTE . 12 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 33.3 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 . 1 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 25.0 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+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 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 H 0 0 223 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.1 -10.9 -0.1 -2.7 2 2 A P - 0 0 90 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.341 360.0 -76.8 -57.5-163.4 -8.2 -2.4 -1.3 3 3 A L S > S+ 0 0 93 1,-0.2 3,-2.9 2,-0.1 4,-0.4 0.001 86.9 125.5 -91.0 27.3 -4.9 -1.4 0.3 4 4 A K G > S+ 0 0 132 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.802 75.0 53.2 -56.3 -29.0 -3.4 -0.5 -3.1 5 5 A Q G 3 S+ 0 0 163 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.422 94.2 73.4 -85.8 1.2 -2.7 2.9 -1.7 6 6 A Y G < + 0 0 164 -3,-2.9 2,-2.8 1,-0.2 3,-0.4 0.579 64.5 98.1 -90.1 -10.3 -0.9 1.3 1.2 7 7 A W < + 0 0 158 -3,-0.7 -1,-0.2 -4,-0.4 -3,-0.1 -0.258 39.2 142.7 -74.7 54.5 2.1 0.3 -0.9 8 8 A W S S- 0 0 183 -2,-2.8 -1,-0.2 1,-0.1 -2,-0.1 0.743 83.3 -79.9 -66.6 -24.6 3.9 3.3 0.4 9 9 A R S > S+ 0 0 169 -3,-0.4 3,-0.6 0, 0.0 -2,-0.1 -0.007 122.9 70.8 148.9 -32.6 7.1 1.3 0.5 10 10 A P T 3 S+ 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.671 75.7 83.8 -84.6 -16.9 7.1 -0.8 3.7 11 11 A S T 3 0 0 52 -5,-0.3 -4,-0.1 1,-0.2 -5,-0.0 0.697 360.0 360.0 -57.8 -17.5 4.3 -3.1 2.4 12 12 A I < 0 0 198 -3,-0.6 -1,-0.2 0, 0.0 -5,-0.0 0.956 360.0 360.0 -54.8 360.0 7.2 -5.0 0.7