==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 18-AUG-08 3E7U . COMPND 2 MOLECULE: PLECTASIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.MANDAL,B.L.PENTELUTE,V.TERESHKO,A.A.KOSSIAKOFF,S.B.H.KENT . 40 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 77.5 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 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 2.5 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 . 6 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.5 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 1 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 X G > 0 0 44 0, 0.0 3,-2.0 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0-176.0 -22.8 -15.4 4.7 2 2 X F T 3 - 0 0 113 1,-0.3 16,-0.2 34,-0.1 17,-0.1 0.855 360.0 -39.0 57.4 37.0 -22.5 -14.1 1.1 3 3 X G T 3 S+ 0 0 1 11,-0.2 8,-3.2 1,-0.1 2,-1.2 0.172 115.6 114.5 98.4 -13.2 -23.7 -17.5 -0.2 4 4 X a B < +A 10 0A 1 -3,-2.0 6,-0.2 6,-0.2 33,-0.2 -0.735 28.2 148.4 -97.1 94.7 -21.9 -19.6 2.4 5 5 X N - 0 0 85 4,-2.8 3,-0.4 -2,-1.2 30,-0.3 -0.224 63.1 -72.6-124.9 34.3 -24.8 -21.1 4.3 6 6 X G > - 0 0 1 28,-2.2 3,-1.9 1,-0.2 -1,-0.5 -0.257 69.7 -51.2 103.0 178.6 -23.4 -24.4 5.3 7 7 X P T 3 S+ 0 0 62 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.629 135.5 46.2 -70.0 -11.8 -22.6 -27.6 3.7 8 8 X W T 3 S+ 0 0 240 -3,-0.4 -2,-0.1 1,-0.2 26,-0.1 0.300 121.8 34.8-105.7 6.0 -26.1 -27.8 2.1 9 9 X D S < S+ 0 0 92 -3,-1.9 -4,-2.8 25,-0.1 2,-0.8 -0.411 75.0 149.2-154.8 62.7 -26.2 -24.2 0.9 10 10 X E B +A 4 0A 77 -3,-0.3 2,-1.5 -6,-0.2 -6,-0.2 -0.799 17.8 179.3-110.0 87.3 -22.6 -23.4 -0.1 11 11 X D >> + 0 0 69 -8,-3.2 4,-1.8 -2,-0.8 3,-0.5 -0.623 3.8 173.9 -95.0 78.9 -22.7 -20.9 -3.0 12 12 X D H 3> S+ 0 0 70 -2,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.853 74.8 57.8 -54.9 -36.1 -19.0 -20.4 -3.6 13 13 X M H 3> S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 103.5 51.4 -68.2 -37.9 -19.6 -18.2 -6.7 14 14 X Q H <> S+ 0 0 97 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.933 113.0 46.6 -61.5 -45.2 -21.7 -15.7 -4.8 15 15 X b H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.930 111.1 51.5 -63.2 -44.0 -18.9 -15.5 -2.2 16 16 X H H X S+ 0 0 52 -4,-3.0 4,-2.6 12,-0.3 -2,-0.2 0.922 111.4 46.8 -56.1 -47.3 -16.3 -15.2 -4.9 17 17 X N H X S+ 0 0 94 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.886 111.6 51.3 -67.9 -36.6 -18.1 -12.3 -6.6 18 18 X H H >< S+ 0 0 54 -4,-2.2 3,-1.0 -5,-0.2 4,-0.3 0.961 112.5 46.5 -59.2 -51.0 -18.7 -10.6 -3.3 19 19 X c H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 6,-0.3 0.898 107.1 56.5 -61.6 -40.9 -15.0 -10.8 -2.5 20 20 X K H 3< S+ 0 0 100 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.683 97.9 63.7 -65.7 -19.7 -13.9 -9.6 -6.0 21 21 X S T << S+ 0 0 93 -3,-1.0 2,-0.6 -4,-0.8 -1,-0.3 0.546 87.0 87.9 -79.4 -9.3 -15.9 -6.4 -5.5 22 22 X I S X S- 0 0 65 -3,-1.9 3,-2.3 -4,-0.3 -4,-0.0 -0.850 91.1-110.6 -97.4 121.1 -13.6 -5.5 -2.5 23 23 X K T 3 S+ 0 0 213 -2,-0.6 3,-0.1 1,-0.3 -2,-0.1 -0.188 101.7 20.2 -47.6 123.7 -10.6 -3.5 -3.4 24 24 X G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.207 97.9 107.0 100.7 -11.7 -7.4 -5.6 -2.9 25 25 X Y < - 0 0 111 -3,-2.3 -1,-0.3 -6,-0.3 3,-0.1 -0.793 47.9-165.3-102.7 147.2 -9.1 -9.1 -3.0 26 26 X K - 0 0 143 14,-2.7 2,-0.3 -2,-0.3 -6,-0.2 0.591 63.6 -42.3 -98.0 -23.9 -8.7 -11.5 -5.9 27 27 X G - 0 0 0 13,-1.9 13,-2.6 -8,-0.2 2,-0.3 -0.981 51.3-140.6 177.5-174.2 -11.5 -14.0 -5.1 28 28 X G E -B 39 0B 5 -2,-0.3 2,-0.3 11,-0.3 -12,-0.3 -0.986 8.2-171.4-168.3 168.1 -13.2 -15.9 -2.4 29 29 X Y E -B 38 0B 92 9,-2.0 9,-3.0 -2,-0.3 2,-0.3 -0.974 39.1 -82.6-158.5 165.0 -14.8 -19.2 -1.5 30 30 X a E +B 37 0B 10 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.599 51.9 168.5 -79.4 132.1 -16.8 -20.9 1.3 31 31 X A E >>> +B 36 0B 19 5,-3.1 5,-2.3 -2,-0.3 4,-0.6 -0.652 43.6 55.3-129.0 178.6 -14.7 -22.2 4.2 32 32 X K G >45S- 0 0 169 1,-0.3 3,-1.1 -2,-0.2 -1,-0.2 0.924 134.8 -40.6 57.4 51.3 -15.3 -23.5 7.7 33 33 X G G 345S- 0 0 53 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.685 111.9 -58.0 76.2 19.6 -17.7 -26.2 6.7 34 34 X G G <45S+ 0 0 0 -3,-0.5 -28,-2.2 -28,-0.2 -1,-0.3 0.383 120.8 100.0 91.7 0.9 -19.5 -24.0 4.2 35 35 X F T <<5 + 0 0 126 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.2 0.542 68.4 62.9 -97.9 -11.0 -20.4 -21.3 6.7 36 36 X V E < -B 31 0B 66 -5,-2.3 -5,-3.1 -33,-0.1 2,-0.8 -0.964 67.8-140.9-123.2 127.0 -17.8 -18.6 6.1 37 37 X b E -B 30 0B 24 -2,-0.5 2,-0.6 -7,-0.2 -7,-0.2 -0.780 25.9-163.4 -82.1 114.8 -17.1 -16.6 3.0 38 38 X K E -B 29 0B 99 -9,-3.0 -9,-2.0 -2,-0.8 2,-0.3 -0.871 1.6-161.5-104.6 113.9 -13.3 -16.4 2.9 39 39 X c E B 28 0B 30 -2,-0.6 -11,-0.3 -11,-0.2 -23,-0.1 -0.681 360.0 360.0 -90.2 151.9 -11.8 -13.7 0.6 40 40 X Y 0 0 141 -13,-2.6 -14,-2.7 -2,-0.3 -13,-1.9 -0.942 360.0 360.0-137.1 360.0 -8.2 -13.8 -0.6