==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 06-DEC-11 4AAZ . COMPND 2 MOLECULE: FLOWER-SPECIFIC DEFENSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA ALATA; . AUTHOR F.T.LAY,G.D.MILLS,M.D.HULETT,M.KVANSAKUL . 94 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 60.6 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 . 22 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 225 0, 0.0 46,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.7 5.1 13.9 12.1 2 2 A E E -A 46 0A 112 44,-0.3 2,-0.4 42,-0.0 42,-0.0 -0.927 360.0-145.0-126.4 152.5 6.8 11.4 9.8 3 3 A a E -A 45 0A 58 42,-2.4 42,-1.2 -2,-0.3 2,-0.4 -0.931 11.5-132.3-118.4 145.6 8.5 8.1 10.5 4 4 A K E +A 44 0A 144 -2,-0.4 2,-0.4 40,-0.2 40,-0.2 -0.805 25.3 171.8-101.1 131.1 11.6 6.5 8.8 5 5 A T E -A 43 0A 64 38,-2.6 38,-2.9 -2,-0.4 3,-0.1 -0.989 37.3-112.6-135.7 126.1 11.5 2.9 7.7 6 6 A E E -A 42 0A 90 -2,-0.4 36,-0.3 36,-0.3 2,-0.1 -0.326 42.5-101.8 -57.4 135.1 14.3 1.4 5.6 7 7 A S - 0 0 12 34,-3.0 34,-0.2 1,-0.1 -1,-0.1 -0.337 24.8-157.6 -55.7 135.7 13.2 0.5 2.1 8 8 A N S S+ 0 0 137 1,-0.1 -1,-0.1 15,-0.1 -2,-0.1 0.647 89.1 36.4 -89.1 -16.8 12.5 -3.2 1.6 9 9 A T S S+ 0 0 86 2,-0.1 -1,-0.1 14,-0.0 -2,-0.1 0.509 83.8 107.3-113.5 -12.7 12.9 -3.2 -2.2 10 10 A F - 0 0 34 31,-0.1 2,-0.4 10,-0.1 31,-0.1 -0.585 63.7-136.5 -71.7 129.6 15.7 -0.7 -2.9 11 11 A P - 0 0 110 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.693 52.4 -18.5 -91.7 133.2 18.8 -2.6 -4.0 12 12 A G S S- 0 0 70 -2,-0.4 29,-0.3 2,-0.1 2,-0.1 -0.170 101.7 -17.1 84.5-169.1 22.3 -1.7 -2.8 13 13 A I - 0 0 98 27,-0.1 2,-0.7 1,-0.1 27,-0.2 -0.463 64.3-120.2 -79.5 147.6 23.8 1.4 -1.2 14 14 A b + 0 0 2 25,-2.7 3,-0.1 1,-0.2 -1,-0.1 -0.800 51.3 142.4 -92.0 113.5 21.9 4.7 -1.4 15 15 A I + 0 0 101 -2,-0.7 2,-0.4 1,-0.4 -1,-0.2 0.698 65.6 35.3-116.7 -47.1 23.9 7.4 -3.1 16 16 A T S > S- 0 0 83 1,-0.1 4,-0.6 17,-0.1 -1,-0.4 -0.882 72.5-132.9-115.5 147.8 21.4 9.4 -5.2 17 17 A K H >> S+ 0 0 66 -2,-0.4 4,-3.0 1,-0.2 3,-0.8 0.868 86.6 73.3 -62.6 -45.9 17.8 10.1 -4.3 18 18 A P H 3> S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.849 101.1 39.9 -51.7 -48.2 15.8 9.3 -7.4 19 19 A P H 3> S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 -2,-0.1 0.807 118.1 50.4 -70.0 -27.0 15.9 5.4 -7.3 20 20 A c H S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-0.4 0.906 110.8 48.3 -61.9 -42.8 9.8 4.0 -1.4 25 25 A I H ><5S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.894 107.5 56.8 -64.8 -37.5 6.8 5.3 -3.3 26 26 A S H 3<5S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.3 51.6 -58.6 -29.1 6.4 1.8 -4.9 27 27 A E T 3<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.249 126.7-102.1 -94.4 9.6 6.2 0.6 -1.3 28 28 A K T < 5S+ 0 0 135 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.692 81.6 127.3 73.9 24.4 3.4 3.2 -0.4 29 29 A F < - 0 0 20 -5,-2.6 -1,-0.3 -6,-0.1 16,-0.2 -0.519 63.1-127.9 -90.7 173.7 5.6 5.6 1.4 30 30 A T S S- 0 0 72 14,-2.2 2,-0.3 1,-0.2 15,-0.2 0.628 79.4 -1.5-102.1 -14.8 5.6 9.3 0.4 31 31 A D E -B 44 0A 36 13,-1.4 13,-2.4 -7,-0.1 2,-0.3 -0.977 54.5-150.8-159.6 166.7 9.3 9.8 -0.0 32 32 A G E +B 43 0A 0 -2,-0.3 -11,-0.3 11,-0.3 2,-0.3 -0.986 15.5 176.1-141.6 145.5 12.7 8.2 0.2 33 33 A H E -B 42 0A 50 9,-2.4 9,-3.2 -2,-0.3 2,-0.4 -0.934 30.5-105.6-139.4 164.8 16.2 9.6 1.0 34 34 A b E -B 41 0A 34 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.730 26.4-133.0 -92.6 138.6 19.7 8.4 1.6 35 35 A S - 0 0 26 5,-2.4 -21,-0.1 -2,-0.4 -1,-0.0 -0.453 15.9-131.5 -80.8 161.8 21.3 8.2 5.0 36 36 A K S S+ 0 0 185 -2,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.826 90.0 27.6 -86.9 -32.9 24.9 9.5 5.3 37 37 A I S S+ 0 0 154 1,-0.1 -2,-0.0 3,-0.0 -1,-0.0 0.929 131.5 26.6-103.5 -59.9 26.8 6.8 7.1 38 38 A L S S- 0 0 130 2,-0.0 -24,-0.1 -25,-0.0 -2,-0.1 0.630 98.2-137.2 -77.6 -11.9 25.3 3.4 6.5 39 39 A R + 0 0 116 1,-0.2 -25,-2.7 -26,-0.1 2,-0.3 0.943 42.7 162.8 57.3 53.4 24.0 4.8 3.2 40 40 A R - 0 0 92 -27,-0.2 -5,-2.4 -25,-0.0 2,-0.8 -0.713 46.3-115.1 -98.2 150.8 20.6 3.2 3.5 41 41 A c E - B 0 34A 2 -2,-0.3 -34,-3.0 -29,-0.3 2,-0.6 -0.820 37.0-166.0 -84.1 110.7 17.5 4.1 1.5 42 42 A L E -AB 6 33A 18 -9,-3.2 -9,-2.4 -2,-0.8 -36,-0.3 -0.911 4.7-152.5-104.9 120.9 15.1 5.4 4.2 43 43 A d E -AB 5 32A 0 -38,-2.9 -38,-2.6 -2,-0.6 2,-0.4 -0.623 10.3-160.1 -86.2 149.9 11.5 5.7 3.3 44 44 A T E +AB 4 31A 14 -13,-2.4 -14,-2.2 -2,-0.2 -13,-1.4 -0.967 18.8 154.8-129.9 147.0 9.2 8.3 5.1 45 45 A K E -A 3 0A 91 -42,-1.2 -42,-2.4 -2,-0.4 -16,-0.1 -0.956 51.2 -75.6-156.5 162.1 5.5 8.6 5.5 46 46 A P E A 2 0A 84 0, 0.0 -44,-0.3 0, 0.0 -16,-0.0 -0.293 360.0 360.0 -59.1 143.7 3.2 10.3 8.1 47 47 A a 0 0 83 -46,-1.8 -3,-0.0 -3,-0.0 0, 0.0 -0.857 360.0 360.0-147.0 360.0 2.8 8.4 11.3 48 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 1 B R 0 0 231 0, 0.0 46,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.7 -5.4 1.4 -5.9 50 2 B E E -C 94 0B 123 44,-0.2 2,-0.5 42,-0.0 42,-0.0 -0.777 360.0-145.4 -93.7 139.4 -3.2 2.7 -8.7 51 3 B e E -C 93 0B 41 42,-3.2 42,-1.6 -2,-0.4 2,-0.4 -0.910 17.5-172.1-107.0 133.2 -3.1 6.5 -9.1 52 4 B K E +C 92 0B 132 -2,-0.5 2,-0.3 40,-0.2 40,-0.2 -0.995 11.8 160.7-135.2 126.7 -2.8 7.8 -12.7 53 5 B T E -C 91 0B 70 38,-2.1 38,-3.0 -2,-0.4 3,-0.1 -0.997 43.8-101.7-145.1 138.4 -2.1 11.4 -13.8 54 6 B E E -C 90 0B 87 -2,-0.3 36,-0.3 36,-0.3 2,-0.1 -0.387 48.3-102.8 -58.8 137.1 -0.9 12.9 -17.0 55 7 B S - 0 0 9 34,-3.0 34,-0.2 1,-0.1 -1,-0.1 -0.383 26.5-161.0 -58.2 134.0 2.8 13.9 -16.8 56 8 B N S S+ 0 0 143 1,-0.1 -1,-0.1 15,-0.1 -2,-0.1 0.705 87.8 37.0 -88.2 -23.2 3.2 17.7 -16.4 57 9 B T S S+ 0 0 83 14,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.474 81.2 116.3-109.4 -9.2 6.8 17.9 -17.5 58 10 B F - 0 0 33 31,-0.1 2,-0.3 1,-0.1 31,-0.1 -0.495 62.2-131.3 -66.3 126.6 7.0 15.3 -20.3 59 11 B P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.584 54.3 -25.7 -83.0 135.2 7.9 17.0 -23.6 60 12 B G S S- 0 0 76 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 -0.281 102.9 -14.4 78.0-152.8 6.0 16.4 -26.8 61 13 B I - 0 0 107 27,-0.1 2,-0.8 1,-0.0 27,-0.2 -0.638 65.0-115.2 -94.9 145.1 4.0 13.3 -27.9 62 14 B f + 0 0 0 25,-2.8 3,-0.1 -2,-0.3 -2,-0.1 -0.741 53.3 145.3 -88.4 108.8 4.3 10.0 -26.1 63 15 B I + 0 0 118 -2,-0.8 2,-0.3 1,-0.4 -1,-0.2 0.795 65.8 22.6-106.9 -59.9 5.8 7.5 -28.7 64 16 B T S > S- 0 0 79 1,-0.1 4,-0.6 17,-0.1 -1,-0.4 -0.848 73.7-127.0-111.8 156.0 7.9 5.2 -26.6 65 17 B K H >> S+ 0 0 102 -2,-0.3 4,-2.9 1,-0.2 3,-0.8 0.860 90.9 71.9 -69.0 -43.9 7.7 4.4 -22.9 66 18 B P H 3> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.857 99.8 44.3 -53.2 -45.1 11.2 5.1 -21.6 67 19 B P H 3> S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -2,-0.1 0.818 115.9 49.9 -68.4 -26.9 11.2 8.9 -21.8 68 20 B g H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.6 0.895 107.3 52.1 -65.8 -39.5 7.0 10.4 -14.4 73 25 B I H ><5S+ 0 0 36 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.919 106.7 54.1 -60.0 -40.2 9.7 9.2 -12.0 74 26 B S H 3<5S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.752 105.4 55.4 -66.5 -20.8 11.0 12.8 -11.8 75 27 B E T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.214 128.6 -96.1 -96.6 14.0 7.4 13.9 -10.9 76 28 B K T < 5S+ 0 0 105 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.748 88.6 117.1 77.0 30.5 7.3 11.4 -7.9 77 29 B F < - 0 0 28 -5,-2.2 -1,-0.3 -8,-0.1 16,-0.2 -0.535 63.4-132.3-107.4-178.6 5.5 8.5 -9.7 78 30 B T S S+ 0 0 4 14,-2.4 2,-0.3 1,-0.3 15,-0.2 0.625 77.0 0.8-111.3 -17.6 6.9 5.1 -10.2 79 31 B D E -D 92 0B 65 13,-1.6 13,-2.4 -7,-0.1 2,-0.3 -0.950 56.3-153.8-157.3 170.7 6.2 4.4 -13.9 80 32 B G E -D 91 0B 3 -2,-0.3 2,-0.3 11,-0.3 -11,-0.3 -0.983 8.2-175.3-150.2 159.2 4.7 6.0 -17.0 81 33 B H E -D 90 0B 51 9,-2.2 9,-3.0 -2,-0.3 2,-0.4 -0.979 28.1-107.4-148.9 162.0 3.1 4.8 -20.2 82 34 B f E -D 89 0B 27 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.739 29.2-133.8 -90.5 136.9 1.7 6.2 -23.5 83 35 B S > - 0 0 22 5,-2.2 4,-1.3 -2,-0.4 -21,-0.1 -0.686 23.1-116.4 -85.3 139.5 -2.0 6.3 -24.1 84 36 B K T 4 S+ 0 0 170 -2,-0.3 2,-2.4 2,-0.2 4,-0.2 -0.378 92.0 8.2 -63.7 153.2 -3.4 5.2 -27.4 85 37 B I T 4 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.377 133.7 46.2 74.9 -63.3 -5.1 7.8 -29.6 86 38 B L T 4 S- 0 0 110 -2,-2.4 -1,-0.3 2,-0.1 -24,-0.2 0.737 91.2-149.3 -79.6 -25.2 -4.2 10.8 -27.5 87 39 B R < + 0 0 87 -4,-1.3 -25,-2.8 1,-0.2 2,-0.3 0.893 37.4 157.5 55.9 43.6 -0.6 9.7 -27.1 88 40 B R - 0 0 114 -4,-0.2 -5,-2.2 -27,-0.2 2,-0.7 -0.661 48.4-116.8 -92.2 150.9 -0.2 11.3 -23.7 89 41 B g E - D 0 82B 2 -2,-0.3 -34,-3.0 -7,-0.2 2,-0.5 -0.853 34.9-166.1 -86.4 114.4 2.4 10.3 -21.1 90 42 B L E -CD 54 81B 28 -9,-3.0 -9,-2.2 -2,-0.7 2,-0.3 -0.924 6.6-147.2-108.0 124.7 0.4 9.0 -18.2 91 43 B h E -CD 53 80B 0 -38,-3.0 -38,-2.1 -2,-0.5 2,-0.3 -0.676 15.1-168.4 -90.7 146.1 2.2 8.6 -14.9 92 44 B T E +CD 52 79B 8 -13,-2.4 -14,-2.4 -2,-0.3 -13,-1.6 -0.945 15.1 155.2-133.9 151.2 1.3 5.8 -12.4 93 45 B K E -C 51 0B 64 -42,-1.6 -42,-3.2 -2,-0.3 2,-0.3 -0.964 52.8 -85.5-157.2 161.7 2.1 4.9 -8.8 94 46 B P E C 50 0B 33 0, 0.0 -44,-0.2 0, 0.0 -66,-0.1 -0.598 360.0 360.0 -64.8 132.7 0.5 2.9 -6.0 95 47 B e 0 0 86 -46,-3.3 -3,-0.0 -2,-0.3 -45,-0.0 -0.391 360.0 360.0 -64.5 360.0 -1.9 5.4 -4.3