==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 01-NOV-02 1N4N . COMPND 2 MOLECULE: FLORAL DEFENSIN-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PETUNIA X HYBRIDA; . AUTHOR B.J.C.JANSSEN,H.J.SCHIRRA,F.T.LAY,M.A.ANDERSON,D.J.CRAIK . 47 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 53.2 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 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.1 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 . 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 . 3 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.1 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 . 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 A 0 0 111 0, 0.0 2,-0.3 0, 0.0 46,-0.3 0.000 360.0 360.0 360.0 38.9 -9.5 10.1 -10.6 2 2 A T - 0 0 116 45,-0.2 2,-0.4 44,-0.2 44,-0.2 -0.931 360.0-170.6-152.8 123.8 -8.3 7.7 -8.0 3 3 A a E -A 45 0A 53 42,-2.8 42,-2.5 -2,-0.3 2,-0.4 -0.954 2.3-172.5-121.9 138.2 -6.5 4.4 -8.4 4 4 A K E +A 44 0A 98 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.988 12.0 159.1-131.1 139.5 -5.6 1.7 -5.8 5 5 A A E -A 43 0A 42 38,-2.6 38,-2.0 -2,-0.4 2,-0.1 -0.935 39.5-114.2-158.5 129.7 -3.6 -1.4 -6.0 6 6 A E E -A 42 0A 66 -2,-0.3 36,-0.3 36,-0.3 4,-0.1 -0.431 51.2 -84.0 -69.3 141.7 -1.9 -3.4 -3.3 7 7 A b > - 0 0 3 34,-2.6 3,-1.1 1,-0.1 34,-0.2 -0.182 36.3-139.2 -46.4 122.5 1.9 -3.5 -3.3 8 8 A P T 3 S+ 0 0 108 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.903 103.1 49.3 -54.4 -45.1 2.9 -6.2 -5.8 9 9 A T T 3 S+ 0 0 106 14,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.235 95.1 101.2 -89.5 44.5 5.7 -7.4 -3.5 10 10 A W < + 0 0 46 -3,-1.1 4,-0.0 -2,-0.7 30,-0.0 -0.938 22.0 136.7-137.0 115.5 3.4 -7.5 -0.5 11 11 A D + 0 0 116 -2,-0.4 2,-0.3 29,-0.1 29,-0.1 -0.295 56.6 75.1-150.4 51.4 1.8 -10.6 0.9 12 12 A S S S- 0 0 87 27,-0.1 2,-0.5 26,-0.0 29,-0.1 -0.936 88.4 -71.5-154.0 173.0 2.1 -10.2 4.6 13 13 A V - 0 0 103 -2,-0.3 2,-0.3 27,-0.1 26,-0.2 -0.627 47.4-129.4 -78.6 122.9 0.7 -8.3 7.6 14 14 A c + 0 0 4 25,-1.6 3,-0.1 -2,-0.5 -1,-0.1 -0.559 27.0 177.6 -74.2 128.1 1.6 -4.6 7.6 15 15 A I + 0 0 156 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.776 69.5 17.2 -98.4 -35.6 3.0 -3.4 10.9 16 16 A N > - 0 0 78 1,-0.1 4,-0.9 0, 0.0 -1,-0.3 -0.970 68.6-125.8-139.5 152.4 3.8 0.2 10.0 17 17 A K H > S+ 0 0 93 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.834 102.1 70.8 -64.3 -36.2 2.7 2.5 7.2 18 18 A K H > S+ 0 0 155 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 95.4 50.3 -48.7 -56.8 6.4 3.3 6.2 19 19 A P H > S+ 0 0 55 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.900 114.7 45.9 -49.1 -45.5 7.0 -0.2 4.7 20 20 A d H X S+ 0 0 0 -4,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.953 112.4 48.4 -63.5 -51.8 3.9 0.1 2.6 21 21 A V H X S+ 0 0 23 -4,-3.0 4,-2.9 11,-0.3 -1,-0.2 0.873 108.4 57.2 -57.1 -37.7 4.6 3.7 1.5 22 22 A A H X S+ 0 0 47 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.939 110.3 42.4 -59.1 -48.1 8.1 2.5 0.6 23 23 A b H X S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.943 114.4 50.8 -63.0 -49.6 6.7 -0.2 -1.7 24 24 A e H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-0.2 0.885 109.7 51.1 -56.7 -41.4 4.1 2.2 -3.1 25 25 A K H ><5S+ 0 0 133 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.939 112.0 44.7 -63.8 -47.1 6.8 4.8 -3.8 26 26 A K H 3<5S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.645 111.4 56.2 -71.6 -12.3 9.0 2.4 -5.7 27 27 A A T 3<5S- 0 0 26 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.420 122.4-108.8 -95.8 -1.2 5.9 1.2 -7.5 28 28 A K T < 5S+ 0 0 171 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.913 70.9 140.7 72.5 49.5 5.2 4.8 -8.6 29 29 A F < - 0 0 44 -5,-2.3 -1,-0.3 -8,-0.2 16,-0.2 -0.907 58.6-127.1-121.5 147.8 2.2 5.5 -6.4 30 30 A S S S- 0 0 65 14,-0.4 2,-0.3 -2,-0.3 15,-0.2 0.917 84.9 -22.0 -58.9 -47.7 1.3 8.7 -4.5 31 31 A D E -B 44 0A 59 13,-2.4 13,-3.4 -7,-0.1 2,-0.4 -0.975 58.5-133.2-164.2 151.4 1.0 7.0 -1.1 32 32 A G E -B 43 0A 0 -2,-0.3 2,-0.4 11,-0.3 -11,-0.3 -0.900 15.3-170.2-115.0 141.8 0.3 3.6 0.4 33 33 A H E -B 42 0A 71 9,-3.6 9,-2.4 -2,-0.4 2,-0.2 -0.994 23.9-122.5-133.4 129.9 -2.1 2.7 3.2 34 34 A c E -B 41 0A 23 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.495 31.1-121.7 -72.5 133.8 -2.3 -0.6 5.1 35 35 A S - 0 0 23 5,-3.5 -21,-0.1 -2,-0.2 -1,-0.1 -0.228 4.0-136.1 -70.7 163.0 -5.7 -2.3 4.9 36 36 A K S S+ 0 0 196 3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.744 94.5 53.5 -89.4 -29.9 -7.7 -3.1 8.0 37 37 A I S S- 0 0 156 1,-0.1 -3,-0.0 3,-0.1 0, 0.0 0.912 132.0 -2.4 -69.5-100.6 -8.7 -6.6 6.8 38 38 A L S S- 0 0 101 1,-0.1 -24,-0.1 -25,-0.0 -1,-0.1 0.434 97.4-119.2 -75.8 2.4 -5.7 -8.8 5.7 39 39 A R + 0 0 93 1,-0.2 -25,-1.6 -26,-0.2 -27,-0.1 0.775 55.2 167.4 63.5 29.7 -3.6 -5.7 6.5 40 40 A R - 0 0 76 -27,-0.1 -5,-3.5 -6,-0.1 2,-1.0 -0.331 44.8-103.6 -71.5 155.9 -2.4 -5.6 2.9 41 41 A d E - B 0 34A 0 -7,-0.2 -34,-2.6 -34,-0.2 2,-0.7 -0.720 36.0-161.6 -85.1 102.7 -0.5 -2.6 1.6 42 42 A L E -AB 6 33A 23 -9,-2.4 -9,-3.6 -2,-1.0 2,-0.4 -0.766 4.6-156.0 -88.4 114.5 -3.0 -0.6 -0.5 43 43 A e E -AB 5 32A 0 -38,-2.0 -38,-2.6 -2,-0.7 2,-0.4 -0.757 9.6-166.8 -92.9 132.7 -1.2 1.8 -2.8 44 44 A T E +AB 4 31A 32 -13,-3.4 -13,-2.4 -2,-0.4 -14,-0.4 -0.930 14.1 157.0-121.1 143.6 -3.1 4.8 -4.0 45 45 A K E -A 3 0A 49 -42,-2.5 -42,-2.8 -2,-0.4 2,-0.1 -0.958 41.5 -80.0-155.4 171.3 -2.3 7.2 -6.8 46 46 A E 0 0 115 -2,-0.3 -44,-0.2 -44,-0.2 -16,-0.0 -0.458 360.0 360.0 -78.0 148.2 -3.7 9.7 -9.2 47 47 A a 0 0 97 -46,-0.3 -45,-0.2 -2,-0.1 -1,-0.1 0.232 360.0 360.0-174.1 360.0 -5.3 8.7 -12.5