==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 25-MAY-12 2LTI . COMPND 2 MOLECULE: ASTEXIN1; . SOURCE 2 ORGANISM_SCIENTIFIC: ASTICCACAULIS EXCENTRICUS; . AUTHOR M.O.MAKSIMOV,A.J.LINK . 23 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 8.7 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 . 1 4.3 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 . 5 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 8.7 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 . 1 4.3 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 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 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 G 0 0 0 0, 0.0 2,-2.2 0, 0.0 17,-0.6 0.000 360.0 360.0 360.0-146.8 2.2 1.5 0.4 2 2 A L - 0 0 105 15,-0.1 2,-0.1 10,-0.1 10,-0.0 -0.288 360.0 -74.9 54.8 -65.6 5.9 2.7 0.7 3 3 A S S S+ 0 0 60 -2,-2.2 3,-0.1 0, 0.0 -1,-0.0 -0.201 72.3 134.8 137.0 132.6 7.5 0.2 -1.8 4 4 A Q S S- 0 0 143 1,-0.3 2,-0.4 -2,-0.1 14,-0.1 0.357 72.7 -81.8-168.6 -15.6 8.2 -3.6 -1.3 5 5 A G S S- 0 0 41 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.980 72.4 -57.2 130.4-124.6 7.1 -5.6 -4.4 6 6 A V S S+ 0 0 107 -2,-0.4 11,-0.3 -3,-0.1 12,-0.1 -0.961 73.5 98.5-150.1 150.3 3.4 -6.5 -4.6 7 7 A E S S- 0 0 130 9,-2.5 2,-0.3 -2,-0.3 10,-0.1 -0.542 90.1 -38.6-160.7 -67.4 0.3 -8.1 -3.3 8 8 A P + 0 0 42 0, 0.0 13,-0.7 0, 0.0 8,-0.4 -0.956 42.5 168.2-138.5 158.0 -1.7 -5.3 -1.7 9 9 A D > + 0 0 0 6,-1.3 2,-1.5 -2,-0.3 5,-0.5 -0.446 13.4 167.3-140.7 71.0 -1.2 -2.2 0.4 10 10 A I B 5S+a 14 0A 122 5,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.687 74.4 25.5 -76.0 85.7 -4.6 -0.5 0.3 11 11 A G B > 5S+B 14 0A 26 -2,-1.5 2,-3.0 3,-1.0 3,-1.1 -0.851 94.1 66.0 139.3-179.0 -3.5 1.8 3.2 12 12 A Q T 3 5S- 0 0 55 11,-1.9 11,-0.1 1,-0.3 -2,-0.1 -0.141 126.4 -37.8 68.2 -51.3 0.0 3.0 4.3 13 13 A T T 3 5S+ 0 0 87 -2,-3.0 -1,-0.3 -4,-0.4 -3,-0.1 0.265 121.6 7.9-164.7 -33.8 0.8 5.1 1.1 14 14 A Y B < S- 0 0 10 -17,-0.6 3,-2.7 1,-0.2 2,-1.9 -0.389 73.5-159.0 -74.1 73.1 3.7 -3.4 0.8 19 19 A R T 3 S+ 0 0 107 -2,-2.4 -1,-0.2 1,-0.3 -10,-0.1 0.133 81.6 64.4 -42.3 3.3 2.0 -6.9 0.7 20 20 A I T 3 S- 0 0 147 -2,-1.9 -1,-0.3 -13,-0.1 -11,-0.1 0.528 99.1-135.5 -99.1 -17.4 1.1 -7.1 4.5 21 21 A N < - 0 0 61 -3,-2.7 -12,-0.1 -13,-0.7 -2,-0.1 0.967 26.3-168.8 55.1 69.5 -1.4 -4.1 4.0 22 22 A Q 0 0 113 -4,-0.4 -1,-0.1 -11,-0.1 -4,-0.1 -0.334 360.0 360.0 -65.9 160.9 -0.7 -1.7 7.0 23 23 A D 0 0 178 -12,-0.2 -11,-1.9 -11,-0.1 -1,-0.1 0.859 360.0 360.0 -46.2 360.0 -3.0 1.2 7.9