==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFUNGAL PROTEIN 23-DEC-08 2KCN . COMPND 2 MOLECULE: ANTIFUNGAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM CHRYSOGENUM; . AUTHOR G.BATTA,T.BARNA,Z.GASPARI,S.SANDOR,K.E.KOVER,U.BINDER, . 55 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 61.8 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 . 17 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 10 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 A 0 0 88 0, 0.0 46,-1.4 0, 0.0 47,-0.4 0.000 360.0 360.0 360.0-172.6 -15.4 2.7 -0.3 2 2 A K E -A 46 0A 140 44,-0.2 2,-0.3 45,-0.1 44,-0.2 -0.978 360.0-148.6-162.3 167.7 -12.0 1.4 -1.6 3 3 A Y E -A 45 0A 65 42,-2.9 42,-2.4 -2,-0.3 2,-0.3 -0.981 4.4-155.2-145.4 155.6 -8.7 2.5 -2.9 4 4 A T E +A 44 0A 114 -2,-0.3 2,-0.2 40,-0.2 40,-0.2 -0.984 29.2 122.3-135.0 144.9 -6.0 1.2 -5.3 5 5 A G E -A 43 0A 10 38,-1.4 38,-2.4 -2,-0.3 2,-0.3 -0.827 42.5 -97.8-166.9-154.4 -2.3 1.8 -5.6 6 6 A K - 0 0 104 36,-0.3 9,-1.3 -2,-0.2 2,-0.2 -0.906 22.7-120.4-144.2 171.0 1.2 0.3 -5.6 7 7 A C - 0 0 2 -2,-0.3 33,-1.6 31,-0.2 34,-0.7 -0.638 20.5-122.6-111.5 170.5 4.2 -0.3 -3.3 8 8 A T - 0 0 28 3,-1.9 3,-0.4 -2,-0.2 31,-0.2 -0.956 9.6-138.8-119.4 131.6 7.9 0.8 -3.5 9 9 A K S S+ 0 0 125 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.835 112.3 43.7 -52.3 -34.6 10.8 -1.6 -3.5 10 10 A S S S+ 0 0 101 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.746 129.6 25.1 -82.7 -25.8 12.6 0.9 -1.2 11 11 A K - 0 0 103 -3,-0.4 2,-2.1 2,-0.1 -3,-1.9 -0.899 68.3-149.6-145.0 111.7 9.4 1.4 0.9 12 12 A N + 0 0 15 -2,-0.3 16,-1.8 -3,-0.2 2,-0.3 -0.497 56.2 123.1 -79.9 74.0 6.6 -1.2 1.2 13 13 A E E -C 27 0B 32 -2,-2.1 2,-0.9 14,-0.3 14,-0.3 -0.965 66.9-112.7-136.0 151.9 3.8 1.3 1.7 14 14 A C E -C 26 0B 0 12,-2.6 2,-1.6 -2,-0.3 12,-0.9 -0.738 23.2-165.5 -87.7 105.1 0.5 2.1 -0.0 15 15 A K E +C 25 0B 81 -9,-1.3 10,-0.2 -2,-0.9 -1,-0.1 -0.422 41.2 134.6 -87.7 61.3 0.8 5.5 -1.6 16 16 A Y E -C 24 0B 31 -2,-1.6 8,-2.2 8,-0.7 2,-0.4 -0.210 53.0-110.6 -96.6-170.3 -2.9 6.0 -2.3 17 17 A K E -C 23 0B 134 6,-0.2 2,-0.2 -13,-0.2 6,-0.2 -0.992 27.4-171.8-130.8 133.9 -5.3 8.9 -1.7 18 18 A N E > +C 22 0B 57 4,-1.8 2,-2.8 -2,-0.4 4,-2.3 -0.733 63.0 16.6-118.6 168.4 -8.1 9.2 0.9 19 19 A D T 4 S- 0 0 144 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 -0.388 138.7 -30.4 72.1 -69.4 -10.9 11.7 1.5 20 20 A A T 4 S- 0 0 97 -2,-2.8 -1,-0.2 0, 0.0 -2,-0.1 0.035 126.1 -33.2-174.0 44.8 -10.6 13.2 -1.9 21 21 A G T 4 S+ 0 0 36 -3,-0.4 2,-0.6 1,-0.3 -2,-0.2 0.607 83.4 157.6 106.4 17.5 -7.0 13.0 -3.2 22 22 A K E < -C 18 0B 134 -4,-2.3 -4,-1.8 1,-0.1 -1,-0.3 -0.664 48.3-115.4 -79.9 115.9 -5.2 13.4 0.1 23 23 A D E +C 17 0B 116 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.254 42.9 178.4 -51.9 124.6 -1.7 11.9 -0.1 24 24 A T E -C 16 0B 30 -8,-2.2 -8,-0.7 2,-0.0 2,-0.5 -0.997 16.0-173.7-137.7 133.0 -1.5 8.9 2.2 25 25 A F E +C 15 0B 101 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.949 10.6 168.2-130.6 112.7 1.3 6.4 2.9 26 26 A I E -C 14 0B 72 -12,-0.9 -12,-2.6 -2,-0.5 2,-0.2 -0.982 33.5-125.0-128.5 123.8 0.9 3.4 5.1 27 27 A K E -C 13 0B 139 -2,-0.4 -14,-0.3 -14,-0.3 25,-0.1 -0.466 30.9-125.6 -66.9 127.2 3.3 0.5 5.4 28 28 A C - 0 0 7 -16,-1.8 2,-1.9 -2,-0.2 25,-0.1 -0.350 31.3 -93.5 -73.0 153.6 1.7 -2.8 4.6 29 29 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 -0.463 81.3 121.9 -69.8 82.6 1.8 -5.7 7.1 30 30 A K >> + 0 0 59 -2,-1.9 2,-0.8 -18,-0.1 4,-0.5 -0.469 32.4 176.1-145.1 67.8 4.9 -7.5 5.8 31 31 A F T 34 S- 0 0 158 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.660 82.0 -31.4 -79.7 108.1 7.6 -7.8 8.4 32 32 A D T 34 S+ 0 0 146 -2,-0.8 -1,-0.3 1,-0.1 -2,-0.0 0.819 130.6 87.4 51.7 32.3 10.5 -9.7 6.9 33 33 A N T <4 S- 0 0 129 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.612 109.9 -22.6-125.5 -37.4 7.8 -11.6 4.9 34 34 A K < + 0 0 111 -4,-0.5 2,-1.7 -22,-0.0 3,-0.1 -0.161 56.6 173.8-179.4 71.2 7.3 -9.5 1.8 35 35 A K - 0 0 107 1,-0.2 -23,-0.1 19,-0.0 -22,-0.1 -0.311 67.7 -78.7 -83.3 54.0 8.3 -5.8 1.9 36 36 A C - 0 0 15 -2,-1.7 -1,-0.2 19,-0.1 -24,-0.1 0.382 40.0-155.0 64.0 153.3 7.7 -5.3 -1.8 37 37 A T + 0 0 103 1,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.055 67.2 47.5-154.8 39.1 10.1 -6.4 -4.5 38 38 A K S > S- 0 0 133 4,-0.0 3,-1.4 0, 0.0 -1,-0.3 -0.740 89.1 -92.6 178.3 130.7 9.4 -4.2 -7.5 39 39 A D T 3 S- 0 0 93 1,-0.3 -31,-0.2 -2,-0.2 -3,-0.0 -0.270 111.1 -9.1 -51.9 120.8 8.9 -0.5 -8.2 40 40 A N T 3 S+ 0 0 78 -33,-1.6 -1,-0.3 -34,-0.1 -32,-0.2 0.939 87.0 165.1 51.8 53.5 5.2 0.2 -8.1 41 41 A N < - 0 0 39 -3,-1.4 2,-0.2 -34,-0.7 -2,-0.1 0.997 51.0 -65.3 -61.2 -76.5 4.3 -3.6 -7.8 42 42 A K + 0 0 121 -4,-0.2 13,-1.4 13,-0.1 -36,-0.3 -0.859 51.8 173.7-179.3 143.7 0.7 -3.5 -6.7 43 43 A C E -AB 5 54A 0 -38,-2.4 -38,-1.4 -2,-0.2 2,-0.3 -0.957 6.2-170.3-152.2 167.3 -1.4 -2.5 -3.7 44 44 A T E -AB 4 53A 46 9,-0.6 9,-2.6 -2,-0.3 2,-0.4 -0.927 2.6-165.8-165.2 138.2 -5.0 -2.2 -2.5 45 45 A V E -AB 3 52A 6 -42,-2.4 -42,-2.9 -2,-0.3 2,-0.4 -0.974 4.8-159.3-131.0 144.2 -6.9 -0.8 0.5 46 46 A D E >> -AB 2 51A 50 5,-0.5 5,-0.9 -2,-0.4 4,-0.9 -0.970 19.6-145.2-125.6 138.1 -10.5 -1.2 1.7 47 47 A T T 45S+ 0 0 66 -46,-1.4 -45,-0.1 -2,-0.4 -1,-0.1 0.598 87.6 88.0 -73.2 -10.6 -12.5 1.0 4.0 48 48 A Y T 45S- 0 0 197 -47,-0.4 -1,-0.2 1,-0.2 -46,-0.1 0.954 123.0 -24.5 -51.6 -58.1 -14.1 -2.1 5.4 49 49 A N T 45S- 0 0 107 -3,-0.5 -1,-0.2 2,-0.0 -2,-0.2 -0.080 95.7 -88.5-151.7 39.4 -11.4 -2.6 8.0 50 50 A N T <5 + 0 0 108 -4,-0.9 2,-1.0 1,-0.2 -3,-0.2 0.911 63.2 177.1 51.0 47.8 -8.3 -0.9 6.7 51 51 A A E < -B 46 0A 37 -5,-0.9 2,-0.7 1,-0.0 -5,-0.5 -0.724 8.0-171.3 -87.5 100.1 -7.3 -4.1 4.9 52 52 A V E -B 45 0A 18 -2,-1.0 -7,-0.2 -7,-0.2 2,-0.0 -0.829 5.6-164.1 -96.9 112.9 -4.1 -3.2 3.0 53 53 A D E -B 44 0A 97 -9,-2.6 -9,-0.6 -2,-0.7 2,-0.3 -0.200 3.7-145.0 -84.5 179.9 -3.0 -6.0 0.6 54 54 A C E B 43 0A 44 -11,-0.2 -11,-0.2 -25,-0.1 -19,-0.0 -0.997 360.0 360.0-150.2 146.7 0.4 -6.4 -1.1 55 55 A D 0 0 76 -13,-1.4 -19,-0.1 -2,-0.3 -18,-0.1 -0.450 360.0 360.0 -62.8 360.0 1.7 -7.7 -4.4