==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 08-SEP-03 1QXQ . COMPND 2 MOLECULE: INDOLICIDIN DERIVATIVE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.ROZEK,J.P.POWERS,C.L.FRIEDRICH,R.E.HANCOCK . 13 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 15.4 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 15.4 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+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 I 0 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.1 -11.7 4.9 -3.4 2 2 A L + 0 0 168 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.876 360.0 140.5 68.6 100.5 -8.4 2.9 -3.1 3 3 A K + 0 0 172 2,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.232 14.5 123.9-170.7 69.9 -9.1 -0.5 -1.6 4 4 A K S S- 0 0 200 1,-0.0 3,-0.4 0, 0.0 -1,-0.0 -0.501 88.8 -63.1-134.9 68.1 -7.1 -3.5 -3.0 5 5 A W - 0 0 212 1,-0.2 2,-2.0 -2,-0.1 -2,-0.1 0.893 54.0-122.8 52.6 100.8 -5.2 -5.1 -0.2 6 6 A P + 0 0 103 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.495 59.0 142.0 -73.2 82.6 -2.7 -2.6 1.2 7 7 A W + 0 0 201 -2,-2.0 5,-0.0 -3,-0.4 -2,-0.0 -0.373 18.8 131.8-120.9 55.2 0.5 -4.7 0.7 8 8 A W - 0 0 146 1,-0.1 4,-0.0 -2,-0.0 3,-0.0 -0.905 35.1-170.9-112.8 110.6 3.0 -2.0 -0.4 9 9 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.039 75.2 71.9 -86.5 32.2 6.3 -2.1 1.4 10 10 A W S S+ 0 0 211 1,-0.0 2,-0.2 0, 0.0 -2,-0.0 0.775 113.8 0.8-110.0 -65.5 7.3 1.2 -0.2 11 11 A R + 0 0 193 2,-0.0 2,-1.9 -3,-0.0 -3,-0.0 -0.481 67.7 177.9-126.1 63.6 5.4 4.1 1.4 12 12 A R 0 0 161 1,-0.3 -5,-0.0 -2,-0.2 0, 0.0 -0.434 360.0 360.0 -67.8 86.7 3.1 2.5 4.0 13 13 A K 0 0 235 -2,-1.9 -1,-0.3 0, 0.0 -2,-0.0 0.893 360.0 360.0 44.8 360.0 1.5 5.7 5.3