==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 06-DEC-11 4AB0 . COMPND 2 MOLECULE: FLOWER-SPECIFIC DEFENSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA ALATA; . AUTHOR G.D.MILLS,F.T.LAY,M.D.HULETT,M.KVANSAKUL . 91 3 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 56.0 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 . 23 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.2 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 . 5 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A E 0 0 141 0, 0.0 2,-0.3 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0 163.2 -24.4 8.5 8.1 2 3 A a E -A 44 0A 0 42,-2.4 42,-1.5 48,-0.0 2,-0.3 -0.608 360.0-178.9 -73.5 144.3 -20.8 8.7 9.1 3 4 A K E +AB 43 51A 89 48,-1.5 48,-2.7 -2,-0.3 2,-0.3 -0.938 13.4 140.2-151.3 120.8 -20.3 8.4 12.8 4 5 A T E -A 42 0A 14 38,-1.9 38,-3.4 -2,-0.3 2,-0.2 -0.973 53.3 -76.3-156.1 167.1 -17.0 8.6 14.6 5 6 A E E -A 41 0A 70 -2,-0.3 36,-0.3 36,-0.2 2,-0.1 -0.477 52.8-106.6 -70.9 136.2 -15.4 9.9 17.8 6 7 A S - 0 0 8 34,-3.0 34,-0.2 -2,-0.2 -1,-0.1 -0.391 24.6-156.4 -56.5 133.8 -14.6 13.6 17.8 7 8 A N S S+ 0 0 140 1,-0.1 -1,-0.1 15,-0.1 -2,-0.0 0.716 87.9 35.3 -86.5 -22.3 -10.9 14.1 17.4 8 9 A T S S+ 0 0 88 14,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.588 82.9 112.4-110.4 -15.7 -10.7 17.6 19.0 9 10 A F - 0 0 34 31,-0.1 2,-0.5 1,-0.1 31,-0.1 -0.450 64.3-133.5 -63.5 124.1 -13.3 17.4 21.7 10 11 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.690 51.4 -31.5 -86.7 125.8 -11.5 17.6 25.1 11 12 A G S S- 0 0 68 -2,-0.5 29,-0.3 2,-0.1 2,-0.2 -0.284 101.3 -2.5 84.0-153.7 -12.4 15.2 27.9 12 13 A I - 0 0 99 27,-0.1 2,-1.1 1,-0.1 27,-0.2 -0.548 63.8-121.3 -85.0 142.3 -15.7 13.6 28.9 13 14 A b + 0 0 0 25,-3.3 3,-0.1 -2,-0.2 -1,-0.1 -0.702 46.2 155.1 -85.4 99.0 -18.9 14.2 27.1 14 15 A I + 0 0 121 -2,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.900 67.7 12.7 -90.0 -51.9 -21.2 15.6 29.8 15 16 A T S > S- 0 0 80 1,-0.1 4,-0.6 17,-0.0 -1,-0.3 -0.906 73.6-123.9-126.1 159.8 -23.7 17.6 27.7 16 17 A K H >> S+ 0 0 90 -2,-0.3 4,-3.1 1,-0.2 3,-0.8 0.856 91.5 71.5 -73.2 -41.5 -24.2 17.6 24.0 17 18 A P H 3> S+ 0 0 74 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.874 100.1 45.7 -53.7 -43.7 -23.8 21.3 22.9 18 19 A P H 3> S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 -2,-0.1 0.843 115.6 49.0 -67.7 -27.9 -20.0 21.5 23.3 19 20 A c H S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -1,-0.2 0.874 109.0 50.8 -61.1 -39.0 -18.0 18.1 15.7 24 25 A I H ><5S+ 0 0 82 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.857 106.9 54.5 -68.5 -33.8 -19.2 21.0 13.5 25 26 A S H 3<5S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 105.1 54.1 -66.1 -28.3 -15.7 22.5 13.7 26 27 A E T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.291 128.7-103.4 -89.6 8.1 -14.5 19.1 12.4 27 28 A K T < 5S+ 0 0 157 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.684 82.3 124.9 77.4 24.7 -16.9 19.5 9.5 28 29 A F < - 0 0 22 -5,-2.7 -1,-0.3 -6,-0.1 16,-0.2 -0.427 62.1-128.8 -91.3 179.3 -19.6 17.1 10.7 29 30 A T S S+ 0 0 87 14,-2.4 2,-0.3 1,-0.3 15,-0.2 0.613 78.0 4.1-108.3 -16.7 -23.2 18.3 11.1 30 31 A D E -C 43 0A 46 13,-1.7 13,-2.5 -7,-0.1 2,-0.3 -0.972 55.8-157.5-158.1 166.7 -24.0 17.1 14.7 31 32 A G E -C 42 0A 0 -2,-0.3 2,-0.3 11,-0.2 -11,-0.3 -0.981 8.8-179.3-147.7 158.1 -22.6 15.5 17.7 32 33 A H E -C 41 0A 53 9,-2.2 9,-3.2 -2,-0.3 2,-0.3 -0.984 32.0-102.3-153.5 157.6 -23.8 13.6 20.8 33 34 A b E -C 40 0A 24 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.674 37.1-119.1 -83.0 136.0 -22.5 11.9 23.9 34 35 A S - 0 0 22 5,-2.6 4,-0.3 -2,-0.3 -21,-0.1 -0.487 27.7-116.1 -70.3 145.2 -22.2 8.1 23.9 35 36 A K S S+ 0 0 193 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.851 96.4 6.5 -50.6 -46.1 -24.4 6.5 26.6 36 37 A I S S+ 0 0 139 3,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.840 132.4 40.7-116.7 -49.4 -21.7 4.9 28.8 37 38 A L S S- 0 0 92 2,-0.1 -24,-0.2 -25,-0.0 -2,-0.1 0.729 94.0-143.2 -74.4 -22.8 -18.1 5.8 27.9 38 39 A R + 0 0 101 -4,-0.3 -25,-3.3 1,-0.2 2,-0.3 0.927 38.6 161.4 57.7 48.0 -19.6 9.3 27.3 39 40 A R - 0 0 95 -27,-0.2 -5,-2.6 -25,-0.0 2,-0.7 -0.653 46.8-107.4 -88.7 153.6 -17.4 10.0 24.4 40 41 A c E - C 0 33A 2 -29,-0.3 -34,-3.0 -2,-0.3 2,-0.4 -0.776 37.8-164.1 -85.1 116.9 -18.3 12.8 21.9 41 42 A L E -AC 5 32A 28 -9,-3.2 -9,-2.2 -2,-0.7 2,-0.3 -0.893 3.9-150.8-107.9 132.6 -19.5 11.2 18.7 42 43 A d E -AC 4 31A 0 -38,-3.4 -38,-1.9 -2,-0.4 2,-0.3 -0.784 12.6-170.4-102.2 145.2 -19.8 13.2 15.5 43 44 A T E +AC 3 30A 7 -13,-2.5 -14,-2.4 -2,-0.3 -13,-1.7 -0.970 13.2 151.0-134.1 148.8 -22.3 12.5 12.7 44 45 A K E -A 2 0A 43 -42,-1.5 -42,-2.4 -2,-0.3 2,-0.1 -0.972 51.1 -81.2-160.3 157.2 -22.8 13.7 9.1 45 46 A P 0 0 80 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.612 360.0 360.0 -63.7 145.5 -24.2 12.7 5.8 46 47 A a 0 0 27 -2,-0.1 38,-0.3 40,-0.0 37,-0.3 -0.947 360.0 360.0-150.8 360.0 -21.6 10.5 3.8 47 !* 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 48 1 B R 0 0 105 0, 0.0 45,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 132.4 -18.6 0.5 18.3 49 2 B E E - D 0 92A 126 43,-0.2 2,-0.4 41,-0.0 -46,-0.0 -0.895 360.0-151.0 -96.0 128.8 -17.9 0.7 14.6 50 3 B e E - D 0 91A 3 41,-3.1 41,-1.7 -2,-0.5 2,-0.4 -0.803 13.8-174.4 -96.2 140.0 -16.5 4.1 13.5 51 4 B K E +BD 3 90A 58 -48,-2.7 -48,-1.5 -2,-0.4 2,-0.3 -0.982 15.1 147.6-140.1 123.0 -17.1 5.2 10.0 52 5 B T E - D 0 89A 26 37,-2.0 37,-3.3 -2,-0.4 3,-0.1 -0.988 49.5 -82.6-154.8 155.9 -15.7 8.3 8.4 53 6 B E E - D 0 88A 67 -2,-0.3 35,-0.3 35,-0.2 2,-0.1 -0.334 49.9-105.6 -65.3 139.7 -14.6 9.5 5.0 54 7 B S - 0 0 7 33,-2.9 33,-0.2 1,-0.1 -1,-0.1 -0.409 22.6-155.9 -58.8 136.0 -11.1 8.6 3.8 55 8 B N S S+ 0 0 146 1,-0.1 -1,-0.1 14,-0.1 -2,-0.1 0.739 89.9 38.7 -86.2 -24.0 -8.8 11.6 4.0 56 9 B T S S+ 0 0 85 13,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.565 83.0 111.6-104.6 -13.7 -6.3 10.3 1.3 57 10 B F - 0 0 35 30,-0.1 2,-0.4 1,-0.1 30,-0.1 -0.485 64.0-133.5 -66.7 125.1 -8.6 8.7 -1.3 58 11 B P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.657 51.5 -34.4 -84.2 130.4 -8.5 10.7 -4.5 59 12 B G S S- 0 0 70 -2,-0.4 28,-0.3 2,-0.1 2,-0.2 -0.207 102.9 -0.6 72.8-148.2 -11.7 11.7 -6.3 60 13 B I - 0 0 131 26,-0.1 2,-0.7 1,-0.0 26,-0.2 -0.560 59.9-132.8 -91.3 145.3 -14.9 9.7 -6.7 61 14 B f 0 0 3 24,-2.9 -2,-0.1 -2,-0.2 -1,-0.0 -0.839 360.0 360.0-100.1 109.5 -15.5 6.3 -5.2 62 15 B I 0 0 181 -2,-0.7 -1,-0.2 18,-0.1 18,-0.1 0.520 360.0 360.0-129.0 360.0 -17.1 3.7 -7.6 63 ! 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 64 18 B P > 0 0 130 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.9 -10.5 -1.9 -3.8 65 19 B P H > + 0 0 89 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.767 360.0 50.4 -69.2 -20.6 -8.7 1.4 -4.1 66 20 B g H > S+ 0 0 3 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.930 109.4 48.6 -76.6 -50.3 -10.9 2.7 -1.3 67 21 B R H > S+ 0 0 129 11,-0.3 4,-2.3 1,-0.2 5,-0.2 0.895 112.3 51.2 -51.6 -42.7 -10.2 -0.3 1.0 68 22 B K H X S+ 0 0 155 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.927 110.3 47.4 -65.5 -44.9 -6.5 0.2 0.3 69 23 B A H X S+ 0 0 12 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.925 112.7 49.7 -60.8 -44.9 -6.6 3.9 1.2 70 24 B h H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 -2,-0.2 0.889 109.8 48.9 -65.8 -40.8 -8.5 3.2 4.4 71 25 B I H ><5S+ 0 0 87 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.888 108.6 55.2 -64.8 -37.7 -6.2 0.5 5.6 72 26 B S H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 104.7 53.8 -60.1 -33.1 -3.3 2.9 4.8 73 27 B E T 3<5S- 0 0 37 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.244 128.3-101.9 -87.4 11.4 -5.1 5.3 7.2 74 28 B K T < 5S+ 0 0 172 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.651 83.8 125.8 77.6 18.8 -5.2 2.6 9.9 75 29 B F < - 0 0 30 -5,-2.8 -1,-0.3 -6,-0.1 16,-0.2 -0.450 63.3-127.6 -90.7 176.3 -8.8 1.6 9.4 76 30 B T S S- 0 0 90 14,-2.2 2,-0.3 1,-0.2 15,-0.2 0.672 78.4 -0.8-104.5 -17.9 -9.7 -2.0 8.7 77 31 B D E -E 90 0A 50 13,-1.6 13,-2.3 -7,-0.1 2,-0.3 -0.972 56.3-151.9-158.1 169.8 -11.9 -1.7 5.6 78 32 B G E +E 89 0A 6 -2,-0.3 -11,-0.3 11,-0.2 2,-0.3 -0.991 12.0 175.3-146.6 151.5 -13.3 0.8 3.1 79 33 B H E -E 88 0A 69 9,-2.2 9,-3.2 -2,-0.3 2,-0.3 -0.977 32.3-104.5-149.3 161.6 -16.4 1.0 0.8 80 34 B f E -E 87 0A 53 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.693 33.0-123.6 -89.5 138.6 -18.0 3.5 -1.5 81 35 B S - 0 0 16 5,-2.3 4,-0.3 -2,-0.3 -20,-0.1 -0.513 15.4-133.5 -79.5 152.8 -21.2 5.3 -0.5 82 36 B K S S+ 0 0 101 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.849 94.4 26.5 -77.4 -37.0 -24.2 4.9 -2.8 83 37 B I S S+ 0 0 150 -37,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.906 131.1 30.5 -96.2 -51.0 -25.4 8.5 -3.1 84 38 B L S S- 0 0 77 -38,-0.3 -23,-0.2 2,-0.1 -2,-0.1 0.607 93.1-138.1 -89.2 -12.1 -22.4 10.8 -2.6 85 39 B R + 0 0 26 -4,-0.3 -24,-2.9 1,-0.2 2,-0.3 0.917 48.2 148.4 56.8 49.5 -19.9 8.2 -4.0 86 40 B R - 0 0 93 -26,-0.2 -5,-2.3 -24,-0.1 2,-0.7 -0.795 55.3-107.0-110.3 155.2 -17.2 8.8 -1.4 87 41 B g E - E 0 80A 2 -2,-0.3 -33,-2.9 -28,-0.3 2,-0.5 -0.749 38.7-165.9 -80.2 117.5 -14.7 6.4 0.1 88 42 B L E -DE 53 79A 4 -9,-3.2 -9,-2.2 -2,-0.7 2,-0.3 -0.926 4.9-150.9-110.7 128.9 -15.8 5.6 3.6 89 43 B h E -DE 52 78A 0 -37,-3.3 -37,-2.0 -2,-0.5 2,-0.3 -0.723 10.2-165.3 -98.5 147.1 -13.5 3.9 6.1 90 44 B T E +DE 51 77A 10 -13,-2.3 -14,-2.2 -2,-0.3 -13,-1.6 -0.966 16.2 151.3-132.1 146.6 -14.6 1.6 8.9 91 45 B K E -D 50 0A 71 -41,-1.7 -41,-3.1 -2,-0.3 2,-0.2 -0.963 48.3 -90.6-162.0 157.1 -12.8 0.2 12.0 92 46 B P E D 49 0A 96 0, 0.0 -43,-0.2 0, 0.0 -2,-0.0 -0.517 360.0 360.0 -66.3 141.7 -13.6 -0.9 15.5 93 47 B e 0 0 65 -45,-2.8 -2,-0.0 -2,-0.2 -89,-0.0 -0.966 360.0 360.0-147.7 360.0 -13.4 1.9 18.0