==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 18-AUG-08 3E7R . 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) . 2821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 80.0 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 . 1 2.5 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 . 7 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 15.0 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 0 1 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 L G > 0 0 44 0, 0.0 3,-2.2 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 176.7 -12.3 13.4 -6.4 2 2 L F T 3 - 0 0 118 1,-0.3 16,-0.2 34,-0.1 17,-0.1 0.816 360.0 -38.4 55.3 38.8 -12.4 17.0 -5.2 3 3 L G T 3 S+ 0 0 5 1,-0.2 8,-2.9 11,-0.1 2,-1.0 0.209 113.0 117.2 101.0 -15.4 -9.3 17.8 -7.2 4 4 L a B < +A 10 0A 0 -3,-2.2 6,-0.2 6,-0.2 -1,-0.2 -0.772 27.3 157.2 -94.9 98.7 -7.5 14.5 -6.6 5 5 L N - 0 0 87 4,-2.6 3,-0.2 -2,-1.0 30,-0.2 -0.182 61.1 -65.7-120.0 36.5 -7.3 13.0 -10.1 6 6 L G S > S- 0 0 2 28,-2.4 3,-2.2 1,-0.2 -1,-0.5 -0.295 72.3 -53.2 103.0 174.3 -4.4 10.6 -9.6 7 7 L P T 3 S+ 0 0 67 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.659 135.1 41.8 -65.1 -16.1 -0.7 10.8 -8.9 8 8 L W T 3 S+ 0 0 244 -3,-0.2 -2,-0.1 1,-0.2 2,-0.1 0.242 116.3 48.2-110.8 8.2 -0.0 13.2 -11.8 9 9 L D < + 0 0 92 -3,-2.2 -4,-2.6 25,-0.1 2,-0.6 -0.524 66.6 150.6-151.2 72.0 -3.1 15.4 -11.3 10 10 L E B -A 4 0A 80 -6,-0.2 2,-1.8 -3,-0.2 -6,-0.2 -0.882 24.8-171.1-116.4 96.9 -3.4 16.4 -7.6 11 11 L D > + 0 0 75 -8,-2.9 4,-2.1 -2,-0.6 3,-0.2 -0.624 15.8 174.5 -83.8 80.2 -5.1 19.8 -7.0 12 12 L D H > S+ 0 0 74 -2,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.827 72.6 54.9 -60.5 -35.1 -4.3 19.6 -3.3 13 13 L M H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.881 105.8 51.0 -73.5 -32.4 -5.6 23.1 -2.6 14 14 L Q H > S+ 0 0 90 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.941 113.6 46.7 -60.4 -46.9 -9.0 22.3 -4.1 15 15 L b H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.935 113.1 48.5 -61.6 -45.2 -9.0 19.3 -1.8 16 16 L H H X S+ 0 0 63 -4,-2.8 4,-2.4 12,-0.3 -2,-0.2 0.928 112.9 46.8 -59.6 -49.0 -7.9 21.3 1.2 17 17 L N H X S+ 0 0 107 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.881 112.0 52.3 -62.8 -38.5 -10.5 24.0 0.6 18 18 L H H >X S+ 0 0 46 -4,-2.6 4,-0.6 -5,-0.2 3,-0.6 0.952 109.5 48.9 -60.6 -48.2 -13.1 21.3 0.1 19 19 L c H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 6,-0.4 0.915 107.5 54.0 -60.8 -42.7 -12.2 19.7 3.4 20 20 L K H 3< S+ 0 0 111 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.806 100.7 61.2 -64.1 -26.4 -12.3 23.0 5.3 21 21 L S H << S+ 0 0 85 -4,-1.3 2,-1.5 -3,-0.6 -1,-0.3 0.646 85.4 78.1 -71.8 -14.4 -15.9 23.5 4.0 22 22 L I S X< S- 0 0 69 -3,-1.6 3,-2.4 -4,-0.6 -1,-0.2 -0.779 104.7-127.0 -91.2 79.6 -16.8 20.4 5.8 23 23 L K T 3 S+ 0 0 194 -2,-1.5 -2,-0.1 1,-0.3 3,-0.1 -0.071 87.9 29.2 -50.1 126.9 -16.8 22.4 8.9 24 24 L G T 3 S+ 0 0 55 1,-0.5 2,-0.3 -4,-0.3 -1,-0.3 -0.102 88.3 113.9 108.4 -28.7 -14.6 21.0 11.7 25 25 L Y < - 0 0 117 -3,-2.4 -1,-0.5 -6,-0.4 3,-0.1 -0.588 59.3-149.8 -71.9 136.6 -12.2 19.3 9.3 26 26 L K - 0 0 149 14,-2.0 2,-0.3 -2,-0.3 -1,-0.2 0.809 59.0 -52.5 -76.6 -36.5 -8.8 20.9 9.7 27 27 L G - 0 0 0 13,-1.7 13,-2.3 -8,-0.1 2,-0.3 -0.968 50.8-137.9-179.0-171.4 -7.6 20.4 6.1 28 28 L G E -B 39 0B 6 -2,-0.3 2,-0.3 11,-0.2 -12,-0.3 -0.985 9.5-173.5-166.1 167.6 -7.0 17.9 3.4 29 29 L Y E -B 38 0B 98 9,-1.7 9,-2.8 -2,-0.3 2,-0.2 -0.975 41.7 -83.4-161.3 160.4 -4.8 16.6 0.7 30 30 L a E +B 37 0B 12 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.515 63.8 147.9 -74.1 139.4 -4.7 14.1 -2.1 31 31 L A E > > +B 36 0B 15 5,-2.4 3,-1.5 -2,-0.2 5,-1.5 -0.846 29.2 57.1-154.8 177.2 -3.8 10.7 -0.8 32 32 L K T 3 5S- 0 0 163 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.745 133.1 -24.0 56.8 34.4 -4.1 6.9 -1.0 33 33 L G T 3 5S- 0 0 58 1,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.253 108.2 -79.2 111.5 -7.1 -3.0 6.6 -4.6 34 34 L G T < 5S+ 0 0 1 -3,-1.5 -28,-2.4 -28,-0.2 -2,-0.2 0.251 117.6 83.0 103.8 -10.6 -3.9 10.2 -5.7 35 35 L F T 5S+ 0 0 126 -4,-0.3 2,-0.5 -30,-0.2 -31,-0.2 0.398 73.2 85.1-102.9 -1.9 -7.6 9.8 -6.2 36 36 L V E < -B 31 0B 62 -5,-1.5 -5,-2.4 -33,-0.1 2,-0.9 -0.921 64.3-150.8-107.5 121.0 -8.7 10.3 -2.6 37 37 L b E -B 30 0B 22 -2,-0.5 2,-0.7 -7,-0.2 -7,-0.2 -0.819 24.8-157.9 -83.1 106.0 -9.2 13.7 -1.1 38 38 L K E -B 29 0B 62 -9,-2.8 -9,-1.7 -2,-0.9 2,-0.3 -0.832 7.8-165.8 -95.9 112.7 -8.3 12.9 2.5 39 39 L c E B 28 0B 35 -2,-0.7 -11,-0.2 -11,-0.2 -23,-0.1 -0.667 360.0 360.0 -92.8 152.0 -9.7 15.3 5.1 40 40 L Y 0 0 128 -13,-2.3 -14,-2.0 -2,-0.3 -13,-1.7 -0.958 360.0 360.0-142.0 360.0 -8.5 15.3 8.7