==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 12-SEP-12 2LY5 . COMPND 2 MOLECULE: DEFENSIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA; . AUTHOR C.C.CORNILESCU,G.CORNILESCU,M.TONELLI,J.L.MARKLEY,F.M.ASSADI . 52 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 65.4 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 . 9 17.3 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 . 1 1.9 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 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 1 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 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 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 2 A D 0 0 158 0, 0.0 3,-0.3 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0 59.1 69.7 -78.1 65.8 2 3 A K + 0 0 185 1,-0.3 2,-2.1 47,-0.1 48,-0.1 0.780 360.0 84.6 -62.7 -25.8 72.1 -76.3 63.5 3 4 A a S S+ 0 0 20 46,-0.1 47,-1.5 2,-0.0 2,-0.4 -0.048 74.8 99.6 -67.6 36.2 69.8 -77.3 60.6 4 5 A K E -A 49 0A 87 -2,-2.1 2,-0.4 -3,-0.3 45,-0.2 -0.989 47.1-176.9-130.8 137.6 67.7 -74.2 61.4 5 6 A K E -A 48 0A 86 43,-1.3 43,-2.2 -2,-0.4 2,-0.2 -0.953 20.3-139.6-135.1 116.4 67.6 -70.8 59.7 6 7 A V E -A 47 0A 71 -2,-0.4 2,-0.5 41,-0.3 41,-0.2 -0.507 18.4-127.3 -76.6 137.1 65.4 -68.0 61.0 7 8 A Y - 0 0 6 39,-1.5 2,-0.4 -2,-0.2 3,-0.3 -0.733 23.1-158.2 -86.0 125.8 63.6 -65.9 58.4 8 9 A E + 0 0 105 -2,-0.5 37,-0.0 1,-0.2 0, 0.0 -0.879 68.5 10.1-107.4 135.3 64.2 -62.1 58.9 9 10 A N S S+ 0 0 151 -2,-0.4 -1,-0.2 1,-0.2 36,-0.0 0.984 86.8 146.1 66.0 59.6 61.8 -59.5 57.5 10 11 A Y - 0 0 76 -3,-0.3 -1,-0.2 34,-0.1 5,-0.1 -0.994 57.4 -96.3-131.3 133.6 59.0 -61.8 56.4 11 12 A P > - 0 0 73 0, 0.0 4,-0.6 0, 0.0 0, 0.0 -0.167 28.0-161.1 -46.4 124.0 55.2 -61.1 56.5 12 13 A V T >4 S+ 0 0 64 2,-0.2 3,-1.0 1,-0.2 4,-0.5 0.896 87.1 63.0 -76.6 -42.2 53.7 -62.5 59.7 13 14 A S G >4 S+ 0 0 76 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.862 102.5 52.1 -50.6 -38.3 50.1 -62.5 58.3 14 15 A K G >4 S+ 0 0 114 1,-0.3 3,-1.4 2,-0.1 7,-0.4 0.822 97.9 64.9 -68.4 -31.0 51.3 -65.0 55.7 15 16 A b G << S+ 0 0 8 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.575 75.3 91.9 -68.2 -7.0 52.8 -67.2 58.5 16 17 A Q G < S+ 0 0 129 -3,-1.2 2,-0.5 -4,-0.5 -1,-0.3 0.573 83.7 59.1 -64.3 -6.2 49.2 -67.6 59.6 17 18 A L S X> S- 0 0 85 -3,-1.4 3,-2.1 1,-0.1 4,-1.9 -0.872 72.9-155.1-128.9 99.7 49.2 -70.7 57.4 18 19 A A H 3> S+ 0 0 54 -2,-0.5 4,-1.0 1,-0.3 5,-0.2 0.644 99.7 61.6 -45.6 -11.2 51.9 -73.3 58.3 19 20 A N H 3> S+ 0 0 105 2,-0.2 4,-1.6 3,-0.1 -1,-0.3 0.864 105.4 40.9 -84.6 -40.3 51.4 -74.1 54.6 20 21 A Q H <> S+ 0 0 83 -3,-2.1 4,-3.8 -6,-0.3 5,-0.3 0.916 114.5 52.4 -73.2 -44.6 52.5 -70.7 53.3 21 22 A c H X S+ 0 0 1 -4,-1.9 4,-2.8 -7,-0.4 5,-0.2 0.968 114.7 39.7 -55.8 -58.9 55.4 -70.4 55.8 22 23 A N H X S+ 0 0 19 -4,-1.0 4,-1.9 -5,-0.2 9,-0.2 0.909 119.1 48.6 -59.2 -43.7 57.0 -73.7 55.0 23 24 A Y H X S+ 0 0 142 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.966 113.0 45.7 -60.5 -54.8 56.3 -73.3 51.3 24 25 A D H X S+ 0 0 37 -4,-3.8 4,-2.0 1,-0.2 5,-0.3 0.893 108.4 58.8 -56.3 -41.8 57.7 -69.8 51.1 25 26 A d H X>S+ 0 0 0 -4,-2.8 4,-3.9 9,-0.3 5,-1.0 0.931 112.1 38.9 -53.8 -49.8 60.7 -70.9 53.2 26 27 A K H X5S+ 0 0 92 -4,-1.9 4,-1.4 7,-0.5 -2,-0.2 0.951 113.1 54.1 -66.6 -50.6 61.6 -73.5 50.5 27 28 A L H <5S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.789 122.4 32.5 -54.8 -27.6 60.7 -71.4 47.5 28 29 A D H <5S+ 0 0 71 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.889 144.6 7.9 -94.9 -52.4 63.1 -68.8 49.0 29 30 A K H <5S- 0 0 89 -4,-3.9 -3,-0.3 -5,-0.3 -2,-0.2 0.593 92.6-128.8-107.3 -17.2 65.8 -70.8 50.7 30 31 A H << + 0 0 126 -4,-1.4 -4,-0.3 -5,-1.0 -3,-0.1 0.968 50.6 156.2 66.7 54.4 64.7 -74.3 49.5 31 32 A A - 0 0 3 -9,-0.2 19,-0.2 2,-0.2 17,-0.1 -0.086 55.5 -97.8 -93.0-163.0 64.7 -76.0 52.9 32 33 A R S S- 0 0 112 17,-2.1 18,-0.1 19,-0.1 -6,-0.1 0.924 96.0 -31.3 -84.5 -52.8 62.8 -79.0 54.1 33 34 A S - 0 0 47 16,-0.6 -7,-0.5 14,-0.2 -8,-0.2 0.486 58.9-161.5-129.1 -78.3 59.8 -77.3 55.7 34 35 A G - 0 0 0 13,-0.5 -9,-0.3 -9,-0.1 14,-0.3 0.938 21.2-173.6 86.3 56.0 60.4 -73.9 57.3 35 36 A E E -B 47 0A 58 12,-0.5 12,-2.8 11,-0.2 2,-0.1 -0.168 30.8 -85.2 -75.1 173.7 57.4 -73.6 59.7 36 37 A b E -B 46 0A 27 10,-0.2 2,-0.3 -21,-0.2 10,-0.3 -0.473 42.8-169.2 -81.3 152.0 56.6 -70.5 61.7 37 38 A F E -B 45 0A 88 8,-1.8 8,-2.8 -2,-0.1 2,-0.8 -0.999 22.8-125.5-143.1 144.1 58.1 -69.8 65.1 38 39 A Y E +B 44 0A 173 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.789 34.8 179.7 -92.6 109.9 57.4 -67.2 67.8 39 40 A D > - 0 0 29 4,-1.0 3,-0.7 -2,-0.8 -1,-0.0 0.110 50.2 -74.2 -87.2-155.1 60.5 -65.3 68.7 40 41 A E T 3 S+ 0 0 164 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.878 131.7 57.2 -73.1 -38.7 61.0 -62.5 71.2 41 42 A K T 3 S- 0 0 145 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.428 109.8-125.7 -72.2 3.8 59.2 -60.0 69.1 42 43 A R < + 0 0 203 -3,-0.7 2,-0.4 1,-0.2 -2,-0.1 0.701 65.7 141.9 58.9 17.4 56.3 -62.4 69.2 43 44 A N - 0 0 40 1,-0.1 -4,-1.0 -6,-0.0 2,-0.3 -0.784 61.7-110.1 -95.2 131.6 56.4 -62.2 65.4 44 45 A L E - B 0 38A 28 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.414 43.1-174.9 -60.5 117.4 55.8 -65.3 63.4 45 46 A Q E - B 0 37A 13 -8,-2.8 -8,-1.8 -2,-0.3 2,-0.6 -0.954 24.0-128.1-121.0 137.0 59.1 -66.3 61.8 46 47 A c E - B 0 36A 7 -2,-0.4 -39,-1.5 -10,-0.3 2,-0.9 -0.718 17.9-158.1 -84.5 120.8 59.8 -69.1 59.3 47 48 A I E -AB 6 35A 26 -12,-2.8 -12,-0.5 -2,-0.6 -13,-0.5 -0.785 9.6-148.3-102.7 92.6 62.6 -71.3 60.5 48 49 A d E -A 5 0A 0 -43,-2.2 -43,-1.3 -2,-0.9 2,-0.5 -0.437 15.0-158.4 -61.5 112.3 64.0 -73.1 57.4 49 50 A D E -A 4 0A 34 -2,-0.5 -17,-2.1 -45,-0.2 2,-0.7 -0.847 12.7-164.0 -99.5 124.7 65.2 -76.4 58.6 50 51 A Y + 0 0 74 -47,-1.5 2,-0.3 -2,-0.5 -46,-0.1 -0.501 65.5 50.7-103.2 62.6 67.8 -78.3 56.5 51 52 A a 0 0 53 -2,-0.7 -2,-0.1 -48,-0.2 -19,-0.1 -0.945 360.0 360.0-170.6-173.0 67.4 -81.7 58.1 52 53 A E 0 0 222 -2,-0.3 -2,-0.1 -20,-0.0 -49,-0.0 -0.665 360.0 360.0 -98.4 360.0 65.0 -84.5 59.1