==== 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 2LY6 . 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) . 3983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 69.2 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 . 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 . 9 17.3 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 . 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 1 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 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 0 155 0, 0.0 3,-1.2 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0-175.7 90.1 -10.4 -52.2 2 3 A K T 3 + 0 0 187 1,-0.3 48,-0.0 47,-0.0 49,-0.0 0.846 360.0 59.9 -58.9 -34.2 90.1 -13.9 -53.6 3 4 A a T 3 S+ 0 0 33 46,-0.1 47,-1.3 2,-0.0 2,-0.7 0.778 89.6 85.2 -64.3 -27.4 91.6 -15.1 -50.3 4 5 A K E < +A 49 0A 77 -3,-1.2 2,-0.4 45,-0.2 45,-0.2 -0.691 60.7 176.2 -82.2 115.9 88.5 -13.8 -48.5 5 6 A K E -A 48 0A 115 43,-2.4 43,-2.0 -2,-0.7 2,-0.5 -0.964 17.0-151.1-123.7 138.8 85.7 -16.3 -48.5 6 7 A V E +A 47 0A 73 -2,-0.4 2,-0.4 41,-0.3 41,-0.2 -0.920 17.5 170.3-112.4 129.6 82.3 -16.0 -46.8 7 8 A Y - 0 0 21 39,-1.1 3,-0.3 -2,-0.5 39,-0.2 -0.923 9.5-173.2-140.2 113.8 80.3 -19.0 -45.6 8 9 A E + 0 0 78 -2,-0.4 2,-4.8 1,-0.2 -1,-0.2 0.980 35.7 133.7 -68.3 -85.1 77.2 -18.6 -43.4 9 10 A N S S+ 0 0 129 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.212 87.0 39.3 61.4 -57.8 76.0 -22.0 -42.2 10 11 A Y S S- 0 0 23 -2,-4.8 36,-0.3 -3,-0.3 5,-0.3 -0.917 94.4-138.4-121.3 105.2 75.7 -20.3 -38.8 11 12 A P >> - 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.294 52.3 -62.9 -48.0-176.3 74.4 -16.7 -39.1 12 13 A V H 3> S+ 0 0 30 1,-0.3 4,-0.8 2,-0.2 33,-0.1 0.630 112.3 103.9 -50.1 -9.9 75.8 -13.9 -37.0 13 14 A S H 34 S+ 0 0 83 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.869 93.2 26.8 -40.7 -48.6 74.5 -16.0 -34.1 14 15 A K H X4 S+ 0 0 91 -3,-1.7 3,-2.5 -4,-0.2 6,-0.3 0.837 104.0 78.9 -84.0 -36.0 78.1 -17.0 -33.4 15 16 A b H 3< + 0 0 14 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.585 67.1 96.8 -51.5 -5.2 79.7 -13.8 -34.9 16 17 A Q T 3< S+ 0 0 135 -4,-0.8 2,-0.5 -3,-0.4 -1,-0.3 0.759 86.4 46.0 -57.1 -23.4 78.6 -12.4 -31.5 17 18 A L S X> S- 0 0 108 -3,-2.5 3,-3.9 1,-0.1 4,-1.0 -0.962 75.8-147.7-126.3 116.0 82.2 -13.1 -30.5 18 19 A A H 3> S+ 0 0 58 -2,-0.5 4,-0.8 1,-0.3 -1,-0.1 0.671 103.9 61.1 -53.1 -13.9 85.1 -12.1 -32.8 19 20 A N H 3> S+ 0 0 111 2,-0.1 4,-1.1 1,-0.1 -1,-0.3 0.626 96.2 59.8 -87.6 -15.1 86.7 -15.2 -31.3 20 21 A Q H <> S+ 0 0 43 -3,-3.9 4,-2.8 -6,-0.3 5,-0.3 0.938 99.0 53.4 -78.3 -49.8 84.0 -17.5 -32.6 21 22 A c H X S+ 0 0 1 -4,-1.0 4,-5.3 1,-0.2 5,-0.4 0.953 108.2 49.8 -49.4 -60.4 84.4 -16.8 -36.3 22 23 A N H X S+ 0 0 31 -4,-0.8 4,-3.4 12,-0.5 9,-0.3 0.906 111.5 50.7 -45.6 -49.9 88.1 -17.6 -36.3 23 24 A Y H X S+ 0 0 140 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.969 119.7 34.0 -53.3 -60.1 87.3 -20.8 -34.6 24 25 A D H X S+ 0 0 22 -4,-2.8 4,-3.4 1,-0.2 5,-0.4 0.915 119.9 51.6 -62.7 -43.8 84.7 -21.9 -37.0 25 26 A d H X>S+ 0 0 0 -4,-5.3 6,-1.3 -5,-0.3 4,-1.2 0.848 115.9 42.0 -62.1 -34.0 86.5 -20.3 -39.9 26 27 A K H <5S+ 0 0 93 -4,-3.4 -2,-0.2 -5,-0.4 -1,-0.2 0.843 121.9 39.5 -80.9 -35.7 89.7 -22.1 -38.9 27 28 A L H <5S+ 0 0 121 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.738 125.4 38.6 -84.1 -24.4 87.8 -25.4 -38.2 28 29 A D H <5S- 0 0 61 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.939 142.7 -1.4 -90.2 -61.7 85.5 -25.0 -41.2 29 30 A K T <5S- 0 0 92 -4,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.407 97.3-114.1-112.7 -2.5 87.6 -23.6 -44.0 30 31 A H < + 0 0 133 -5,-0.8 -4,-0.4 -6,-0.3 -3,-0.1 0.988 53.4 170.6 66.8 61.1 90.9 -23.3 -42.1 31 32 A A - 0 0 12 -6,-1.3 19,-0.1 -9,-0.3 17,-0.1 -0.063 36.2-132.4 -88.0-166.6 91.2 -19.5 -42.0 32 33 A R S S+ 0 0 178 17,-0.8 18,-0.1 19,-0.1 -1,-0.1 0.713 95.2 0.4-116.4 -45.3 93.6 -17.2 -40.1 33 34 A S S S- 0 0 64 16,-0.4 -11,-0.4 14,-0.2 -10,-0.1 0.497 76.4-151.7-123.3 -14.6 91.5 -14.5 -38.5 34 35 A G - 0 0 0 15,-0.2 -12,-0.5 -12,-0.2 2,-0.3 0.899 25.4-168.0 35.7 68.3 88.0 -15.5 -39.7 35 36 A E E -B 47 0A 87 12,-1.1 12,-3.2 -14,-0.2 2,-0.2 -0.614 15.3-122.9 -88.6 145.2 86.8 -11.9 -39.6 36 37 A b E -B 46 0A 27 10,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.487 31.1-179.2 -83.8 155.7 83.1 -11.0 -39.9 37 38 A F E -B 45 0A 86 8,-0.9 8,-2.1 6,-0.2 2,-0.6 -0.933 30.9-100.1-147.2 169.9 81.7 -8.7 -42.5 38 39 A Y E +B 44 0A 168 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.849 40.5 179.2 -99.8 123.9 78.4 -7.2 -43.7 39 40 A D > - 0 0 50 4,-1.1 3,-2.0 -2,-0.6 -1,-0.0 -0.132 54.2 -65.7-103.0-158.9 76.7 -8.8 -46.7 40 41 A E T 3 S+ 0 0 188 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.765 137.2 52.4 -63.5 -24.4 73.5 -8.1 -48.6 41 42 A K T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.147 109.5-124.7 -96.8 18.6 71.7 -9.0 -45.4 42 43 A R < + 0 0 202 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.754 67.6 142.0 43.8 24.6 73.7 -6.6 -43.4 43 44 A N - 0 0 60 1,-0.0 -4,-1.1 -32,-0.0 2,-0.9 -0.684 61.8-110.0 -96.2 149.9 74.5 -9.7 -41.3 44 45 A L E - B 0 38A 43 -2,-0.3 2,-0.5 -6,-0.2 -29,-0.3 -0.685 39.9-175.3 -80.9 108.3 77.8 -10.5 -39.7 45 46 A Q E - B 0 37A 1 -8,-2.1 -8,-0.9 -2,-0.9 2,-0.5 -0.920 29.5-120.1-111.0 122.9 79.2 -13.5 -41.7 46 47 A c E - B 0 36A 0 -2,-0.5 -39,-1.1 -36,-0.3 2,-0.6 -0.431 32.3-160.1 -60.5 111.0 82.5 -15.1 -40.6 47 48 A I E -AB 6 35A 19 -12,-3.2 -12,-1.1 -2,-0.5 2,-0.6 -0.862 10.2-139.3-101.8 119.3 84.8 -14.7 -43.6 48 49 A d E -A 5 0A 0 -43,-2.0 -43,-2.4 -2,-0.6 2,-0.6 -0.653 19.6-165.3 -78.2 118.4 87.8 -17.0 -43.8 49 50 A D E -A 4 0A 18 -2,-0.6 -17,-0.8 -45,-0.2 2,-0.6 -0.914 15.2-177.7-111.5 114.3 90.8 -15.0 -45.0 50 51 A Y + 0 0 67 -47,-1.3 2,-0.3 -2,-0.6 -46,-0.1 -0.507 64.3 44.7-105.0 62.6 93.8 -17.0 -46.2 51 52 A a 0 0 63 -2,-0.6 -2,-0.1 -48,-0.1 -19,-0.1 -0.929 360.0 360.0-172.5-167.7 96.1 -14.0 -46.9 52 53 A E 0 0 231 -2,-0.3 -2,-0.1 0, 0.0 -49,-0.0 -0.650 360.0 360.0-105.2 360.0 97.4 -10.7 -45.7