==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FUNGICIDE 05-NOV-97 1AYJ . COMPND 2 MOLECULE: ANTIFUNGAL PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RAPHANUS SATIVUS VAR. NIGER; . AUTHOR F.FANT,F.A.M.BORREMANS . 51 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 58.8 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 . 10 19.6 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 2.0 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 . 8 15.7 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+3), SAME NUMBER PER 100 RESIDUES . 9 17.6 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 1 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 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 X 0 0 151 0, 0.0 2,-2.5 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 -92.4 1.9 1.6 5.4 2 2 A K + 0 0 138 48,-0.1 49,-0.4 2,-0.0 2,-0.3 -0.463 360.0 161.7 -75.9 69.5 1.4 0.2 1.9 3 3 A L - 0 0 25 -2,-2.5 2,-0.5 47,-0.3 45,-0.1 -0.738 36.3-146.0 -96.8 146.5 1.9 3.7 0.5 4 4 A a E -A 49 0A 49 45,-2.8 45,-2.5 -2,-0.3 2,-1.7 -0.966 12.5-143.5-113.4 121.6 2.8 4.6 -3.1 5 5 A E E +A 48 0A 102 -2,-0.5 43,-0.2 43,-0.2 3,-0.0 -0.507 36.1 167.2 -89.4 62.5 5.1 7.6 -3.4 6 6 A R E -A 47 0A 104 -2,-1.7 41,-2.8 41,-1.0 2,-0.2 -0.502 49.0-104.3 -76.6 146.3 3.5 9.1 -6.6 7 7 A P E S-A 46 0A 51 0, 0.0 39,-0.3 0, 0.0 5,-0.2 -0.595 74.0 -70.2 -62.0 135.6 4.3 12.6 -7.7 8 8 A S - 0 0 0 37,-3.2 37,-0.1 3,-0.5 38,-0.0 0.061 39.2-126.0 -42.8 138.3 1.1 14.2 -6.6 9 9 A G S S+ 0 0 40 -3,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.874 112.2 23.9 -51.3 -41.3 -2.0 13.3 -8.6 10 10 A T S S+ 0 0 66 1,-0.2 2,-2.5 15,-0.1 -1,-0.1 0.932 125.5 47.6 -84.1 -72.5 -2.6 17.0 -9.1 11 11 A W + 0 0 72 1,-0.1 2,-2.0 10,-0.1 -3,-0.5 -0.374 67.7 166.1 -75.5 71.0 0.8 18.6 -8.7 12 12 A S + 0 0 71 -2,-2.5 2,-0.3 -3,-0.2 -1,-0.1 -0.426 54.3 44.9 -87.3 63.5 2.7 16.1 -10.9 13 13 A G S S- 0 0 28 -2,-2.0 32,-2.6 32,-0.1 -5,-0.2 -0.925 97.3 -14.6-173.9-166.7 5.8 18.3 -11.1 14 14 A V - 0 0 106 -2,-0.3 30,-0.3 30,-0.2 22,-0.0 -0.311 47.1-175.2 -61.7 137.6 8.5 20.4 -9.5 15 15 A b - 0 0 14 28,-0.4 -1,-0.1 22,-0.2 29,-0.1 0.866 14.1-177.5-103.9 -59.2 7.6 21.6 -6.0 16 16 A G S S+ 0 0 67 20,-0.1 2,-0.2 4,-0.0 -2,-0.1 0.595 73.1 66.3 54.6 15.1 10.2 24.0 -4.5 17 17 A N > - 0 0 80 1,-0.1 4,-2.6 2,-0.0 5,-0.1 -0.674 57.1-169.6-168.2 107.6 8.0 23.9 -1.3 18 18 A N H > S+ 0 0 73 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.915 89.8 51.7 -60.9 -52.8 7.4 21.0 1.1 19 19 A N H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.913 115.4 41.3 -54.9 -52.3 4.6 22.6 3.2 20 20 A A H > S+ 0 0 32 2,-0.2 4,-2.5 3,-0.2 5,-0.4 0.941 113.1 53.9 -60.6 -53.2 2.5 23.5 0.1 21 21 A c H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.938 114.1 42.3 -48.4 -56.7 3.2 20.2 -1.7 22 22 A K H X S+ 0 0 67 -4,-3.0 4,-2.5 12,-0.3 5,-0.3 0.943 119.5 43.7 -47.2 -63.4 2.0 18.3 1.4 23 23 A N H X S+ 0 0 75 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.975 115.6 45.4 -53.3 -68.8 -1.0 20.6 1.9 24 24 A Q H X S+ 0 0 38 -4,-2.5 4,-2.8 1,-0.2 5,-0.5 0.844 113.8 52.3 -42.0 -49.3 -2.1 20.9 -1.7 25 25 A d H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.4 6,-0.3 0.971 119.4 30.5 -56.0 -61.5 -1.7 17.1 -2.2 26 26 A I H < S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.680 119.8 56.5 -78.1 -15.5 -3.9 16.0 0.8 27 27 A N H < S+ 0 0 99 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.959 122.1 24.8 -77.8 -52.5 -6.1 19.1 0.5 28 28 A L H < S+ 0 0 105 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.982 135.1 26.4 -75.0 -71.6 -7.0 18.4 -3.1 29 29 A E S < S- 0 0 34 -4,-1.3 -21,-0.0 -5,-0.5 0, 0.0 -0.116 87.7-115.8 -86.2-178.9 -6.5 14.6 -3.4 30 30 A K + 0 0 127 -3,-0.0 -4,-0.2 0, 0.0 -1,-0.1 0.200 60.0 138.1-113.9 13.7 -6.8 12.3 -0.3 31 31 A A - 0 0 4 -6,-0.3 18,-0.2 18,-0.1 3,-0.1 0.069 55.0-122.3 -43.5 165.3 -3.3 10.9 0.2 32 32 A R S S- 0 0 123 16,-2.7 2,-0.3 1,-0.3 17,-0.1 0.976 79.6 -2.1 -86.9 -74.5 -1.7 10.7 3.7 33 33 A H - 0 0 90 15,-0.5 15,-3.0 -8,-0.0 -1,-0.3 -0.807 61.9-173.4-108.3 165.7 1.5 12.8 3.7 34 34 A G E +B 47 0A 1 -2,-0.3 -12,-0.3 13,-0.3 2,-0.3 -0.929 5.8 173.6-148.5 162.0 3.3 14.7 0.9 35 35 A S E -B 46 0A 38 11,-2.7 2,-2.2 -2,-0.3 11,-1.5 -0.949 45.2-102.0-169.8 155.2 6.7 16.5 0.7 36 36 A b E -B 45 0A 14 -2,-0.3 9,-0.2 9,-0.2 -18,-0.2 -0.431 55.6-172.5 -84.3 61.1 9.0 18.2 -1.8 37 37 A N E -B 44 0A 64 -2,-2.2 7,-2.5 7,-0.5 -22,-0.2 -0.196 13.1-144.3 -62.0 151.7 11.3 15.2 -2.0 38 38 A Y + 0 0 116 5,-0.2 6,-0.2 7,-0.1 4,-0.1 0.648 40.4 129.8 -83.2-123.6 14.6 15.3 -4.0 39 39 A V - 0 0 95 2,-0.1 0, 0.0 4,-0.1 0, 0.0 0.275 66.9 -12.3 69.2 154.3 16.1 12.4 -6.0 40 40 A F S S+ 0 0 172 1,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.164 120.0 9.4 -52.6 150.6 17.3 13.2 -9.6 41 41 A P S S- 0 0 86 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.667 120.1 -32.2 -81.6 -53.6 16.9 15.5 -11.4 42 42 A A S S- 0 0 43 -2,-0.2 2,-0.1 1,-0.1 -5,-0.0 -0.579 78.0 -69.2-115.2 176.1 15.2 18.2 -9.3 43 43 A H - 0 0 89 -2,-0.2 -28,-0.4 -7,-0.0 2,-0.3 -0.400 52.3-172.2 -64.8 148.1 12.8 18.3 -6.3 44 44 A K E - B 0 37A 39 -7,-2.5 2,-1.9 -30,-0.3 -7,-0.5 -0.979 36.2 -97.7-145.0 152.9 9.2 17.1 -7.1 45 45 A c E - B 0 36A 0 -32,-2.6 -37,-3.2 -2,-0.3 -9,-0.2 -0.483 47.6-172.7 -76.3 83.1 6.0 17.1 -5.1 46 46 A I E -AB 7 35A 19 -2,-1.9 -11,-2.7 -11,-1.5 2,-0.3 -0.536 1.7-172.8 -78.5 141.2 6.0 13.4 -3.9 47 47 A d E -AB 6 34A 0 -41,-2.8 -41,-1.0 -13,-0.3 2,-0.8 -0.994 21.2-131.2-142.7 141.3 2.8 12.3 -2.1 48 48 A Y E -A 5 0A 60 -15,-3.0 -16,-2.7 -2,-0.3 -15,-0.5 -0.821 23.5-175.3-102.3 99.7 2.0 9.1 -0.3 49 49 A F E -A 4 0A 54 -45,-2.5 -45,-2.8 -2,-0.8 2,-2.3 -0.820 35.9-116.2 -95.2 137.6 -1.3 7.4 -1.3 50 50 A P 0 0 66 0, 0.0 -47,-0.3 0, 0.0 -48,-0.1 -0.417 360.0 360.0 -72.8 74.8 -2.4 4.3 0.6 51 51 A a 0 0 87 -2,-2.3 -48,-0.1 -49,-0.4 -2,-0.0 -0.306 360.0 360.0 -75.0 360.0 -2.2 2.0 -2.5