==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 16-NOV-11 2LLR . COMPND 2 MOLECULE: ALVINELLACIN; . SOURCE 2 SYNTHETIC: YES . AUTHOR S.JUNG,A.TASIEMSKI,M.LEIPPE,J.GROETZINGER . 22 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 40.9 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 . 7 31.8 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 . 1 4.5 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 4.5 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 . 1 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 . 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 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 R 0 0 292 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 160.5 2.1 0.0 -1.2 2 2 A G - 0 0 33 2,-0.0 20,-1.5 0, 0.0 2,-0.3 -0.906 360.0-103.9 150.4-177.6 2.7 -2.8 -3.7 3 3 A a B -A 21 0A 61 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.964 22.6-174.4-142.7 158.2 2.0 -4.0 -7.3 4 4 A Y - 0 0 164 16,-2.8 16,-0.5 -2,-0.3 2,-0.3 -0.984 27.7-106.7-151.1 158.1 -0.2 -6.5 -9.1 5 5 A T - 0 0 125 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.669 34.9-177.1 -90.0 142.2 -0.7 -8.0 -12.6 6 6 A R E +B 18 0B 138 12,-2.1 12,-2.2 -2,-0.3 2,-0.3 -0.985 5.8 175.6-139.5 149.0 -3.8 -7.0 -14.7 7 7 A b E +B 17 0B 83 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.990 3.5 164.8-150.9 155.1 -5.2 -8.0 -18.0 8 8 A W E -B 16 0B 109 8,-2.0 8,-2.0 -2,-0.3 2,-0.2 -0.932 41.4 -94.6-170.5 146.3 -8.2 -7.3 -20.3 9 9 A K E -B 15 0B 173 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.460 45.4-176.0 -68.6 132.8 -9.4 -7.8 -23.8 10 10 A V > - 0 0 57 4,-0.9 3,-0.8 -2,-0.2 4,-0.1 -0.920 41.7 -15.0-130.7 156.5 -8.8 -4.7 -26.0 11 11 A G T 3 S- 0 0 71 -2,-0.3 3,-0.2 1,-0.2 0, 0.0 -0.018 91.8 -73.4 49.3-156.5 -9.6 -3.7 -29.6 12 12 A R T 3 S+ 0 0 249 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.211 118.7 56.9-129.2 42.0 -10.7 -6.5 -32.0 13 13 A N S < S- 0 0 161 -3,-0.8 2,-0.2 1,-0.5 -1,-0.1 -0.113 113.1 -33.6-166.0 52.0 -7.4 -8.2 -32.6 14 14 A G - 0 0 50 -3,-0.2 -4,-0.9 -4,-0.1 -1,-0.5 -0.729 67.2 -87.2 124.0-174.1 -5.8 -9.4 -29.4 15 15 A R E -B 9 0B 201 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.714 24.5-133.0-128.7 179.3 -5.6 -8.4 -25.8 16 16 A V E -B 8 0B 68 -8,-2.0 -8,-2.0 -2,-0.2 2,-0.4 -0.997 7.6-151.3-140.2 143.3 -3.4 -6.2 -23.5 17 17 A b E -B 7 0B 80 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.940 12.7-173.1-117.7 135.9 -1.8 -6.6 -20.1 18 18 A M E -B 6 0B 78 -12,-2.2 -12,-2.1 -2,-0.4 2,-0.8 -0.949 21.2-138.3-128.1 147.8 -1.1 -3.9 -17.6 19 19 A R - 0 0 212 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.800 24.0-161.2-107.8 91.0 0.8 -3.9 -14.3 20 20 A V - 0 0 52 -2,-0.8 -16,-2.8 -16,-0.5 2,-0.4 -0.430 2.9-158.6 -71.5 143.1 -1.2 -1.7 -11.8 21 21 A a B A 3 0A 87 -18,-0.2 -18,-0.3 -2,-0.1 -2,-0.0 -0.988 360.0 360.0-129.3 127.3 0.7 -0.5 -8.7 22 22 A T 0 0 118 -20,-1.5 -19,-0.2 -2,-0.4 -1,-0.1 0.349 360.0 360.0-154.2 360.0 -0.9 0.7 -5.5