==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 07-JUN-10 2KYQ . COMPND 2 MOLECULE: DEFENSIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA; . AUTHOR S.M.DITTLI,F.M.ASSADI-PORTER,H.RAO,M.TONELLI . 53 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 64.2 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 . 11 20.8 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 . 4 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.8 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 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 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 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 0 180 0, 0.0 51,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 90.2 -17.0 5.4 4.0 2 3 A a E -A 51 0A 67 49,-0.1 2,-0.3 51,-0.0 49,-0.2 -0.795 360.0-137.5-130.6 172.9 -13.3 4.8 3.7 3 4 A K E -A 50 0A 115 47,-2.0 47,-2.0 -2,-0.2 2,-0.3 -0.944 14.2-173.7-133.7 154.8 -10.3 6.3 1.9 4 5 A R E +A 49 0A 181 -2,-0.3 2,-0.3 45,-0.3 45,-0.2 -0.981 3.2 179.4-146.6 156.0 -7.3 4.9 -0.0 5 6 A K E -A 48 0A 132 43,-1.9 43,-3.2 -2,-0.3 2,-0.4 -0.975 18.8-136.7-159.0 144.0 -4.1 6.2 -1.6 6 7 A V E -A 47 0A 42 -2,-0.3 2,-0.5 41,-0.3 41,-0.2 -0.848 7.3-161.5-107.0 140.3 -1.1 4.8 -3.5 7 8 A Y > + 0 0 109 39,-1.5 3,-2.2 -2,-0.4 39,-0.4 -0.780 11.4 177.0-122.6 86.9 2.5 5.8 -2.9 8 9 A E T 3 S+ 0 0 140 -2,-0.5 -1,-0.1 1,-0.3 4,-0.1 0.727 74.8 80.6 -59.2 -20.9 4.7 4.8 -5.9 9 10 A N T 3 S+ 0 0 126 -3,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.778 78.4 88.4 -57.0 -26.5 7.5 6.5 -4.0 10 11 A Y S < S- 0 0 61 -3,-2.2 2,-0.2 36,-0.1 36,-0.1 -0.328 96.0 -89.9 -73.3 156.2 7.8 3.3 -2.0 11 12 A P > - 0 0 52 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.477 23.6-148.8 -69.7 130.5 10.0 0.4 -3.1 12 13 A V G >> S+ 0 0 79 1,-0.2 3,-1.6 -2,-0.2 4,-0.5 0.809 94.0 71.3 -68.2 -30.1 8.2 -2.2 -5.3 13 14 A S G >4 S+ 0 0 78 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.805 92.9 57.6 -56.1 -29.7 10.4 -4.9 -3.9 14 15 A K G X4 S+ 0 0 90 -3,-0.9 3,-2.1 1,-0.2 -1,-0.3 0.748 85.6 79.6 -72.9 -24.0 8.4 -4.6 -0.7 15 16 A b G <4 S+ 0 0 23 -3,-1.6 21,-0.3 -4,-0.4 -1,-0.2 0.836 81.9 65.9 -51.7 -34.9 5.2 -5.3 -2.7 16 17 A Q G << S+ 0 0 173 -3,-0.8 2,-0.4 -4,-0.5 -1,-0.3 0.815 90.1 79.2 -58.0 -31.0 6.2 -9.0 -2.5 17 18 A L <> - 0 0 87 -3,-2.1 4,-0.7 -4,-0.3 19,-0.2 -0.652 58.8-171.0 -83.8 133.0 5.7 -8.7 1.3 18 19 A A H > S+ 0 0 60 -2,-0.4 4,-0.9 2,-0.2 -1,-0.1 0.746 90.2 44.0 -91.6 -28.6 2.1 -8.9 2.5 19 20 A N H 4 S+ 0 0 131 2,-0.1 4,-0.5 1,-0.1 -1,-0.1 0.595 110.0 58.0 -90.4 -13.7 2.9 -8.0 6.2 20 21 A Q H > S+ 0 0 69 -6,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 102.0 52.9 -82.5 -40.0 5.3 -5.2 5.1 21 22 A c H X S+ 0 0 2 -4,-0.7 4,-2.6 -7,-0.3 3,-0.4 0.987 114.2 39.1 -58.7 -64.0 2.8 -3.2 3.1 22 23 A N H X S+ 0 0 42 -4,-0.9 4,-2.9 12,-0.6 12,-0.2 0.791 114.1 59.6 -57.9 -27.8 0.1 -2.9 5.8 23 24 A Y H 4 S+ 0 0 142 -4,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.922 112.0 36.0 -67.4 -45.5 3.0 -2.4 8.2 24 25 A D H X>S+ 0 0 36 -4,-2.4 4,-1.6 -3,-0.4 5,-0.7 0.774 122.1 48.2 -78.1 -27.9 4.3 0.7 6.5 25 26 A d H X>S+ 0 0 0 -4,-2.6 6,-1.1 -5,-0.2 5,-1.0 0.960 113.0 43.3 -76.3 -55.4 0.8 1.8 5.6 26 27 A K H <5S+ 0 0 80 -4,-2.9 -1,-0.2 4,-0.3 -2,-0.2 0.624 113.0 60.6 -65.9 -11.6 -0.8 1.4 9.0 27 28 A L H 45S- 0 0 82 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.970 129.0 -0.2 -79.1 -61.9 2.3 3.0 10.4 28 29 A D H <5S+ 0 0 111 -4,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.879 141.5 43.2 -94.3 -52.0 2.3 6.4 8.7 29 30 A K T < - 0 0 59 4,-1.8 3,-1.1 1,-0.0 -1,-0.1 -0.185 32.4 -90.2 -93.5-171.1 -2.2 -0.5 -11.4 40 41 A E T 3 S+ 0 0 164 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.685 127.2 53.9 -75.1 -18.2 -3.6 0.6 -14.8 41 42 A K T 3 S- 0 0 139 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.002 122.2-104.3-104.0 26.8 -0.1 1.0 -16.1 42 43 A R S < S+ 0 0 213 -3,-1.1 2,-0.5 1,-0.2 -2,-0.1 0.751 79.6 141.5 57.5 23.4 0.9 -2.6 -15.2 43 44 A N - 0 0 82 -6,-0.1 -4,-1.8 2,-0.0 2,-0.7 -0.855 48.9-139.3-102.0 128.5 2.8 -0.9 -12.3 44 45 A L E + B 0 38A 86 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.765 34.0 163.0 -89.3 116.2 2.9 -2.6 -8.9 45 46 A Q E - B 0 37A 26 -8,-1.3 -8,-1.9 -2,-0.7 2,-0.8 -0.912 41.7-110.3-131.6 158.4 2.5 -0.1 -6.0 46 47 A c E - B 0 36A 12 -39,-0.4 -39,-1.5 -2,-0.3 2,-0.4 -0.793 34.4-165.3 -92.9 109.6 1.6 -0.3 -2.3 47 48 A I E -AB 6 35A 34 -12,-2.2 -12,-2.4 -2,-0.8 2,-0.5 -0.783 5.0-152.0 -97.6 136.7 -1.8 1.3 -1.7 48 49 A d E -A 5 0A 4 -43,-3.2 -43,-1.9 -2,-0.4 2,-0.5 -0.922 5.5-163.1-111.5 129.1 -2.9 2.2 1.8 49 50 A D E -A 4 0A 59 -2,-0.5 -17,-2.4 -45,-0.2 -16,-1.0 -0.944 1.9-164.5-114.9 120.7 -6.6 2.2 2.8 50 51 A Y E +A 3 0A 82 -47,-2.0 -47,-2.0 -2,-0.5 2,-0.4 -0.908 14.9 169.2-108.0 118.7 -7.7 4.1 5.9 51 52 A a E -A 2 0A 35 -2,-0.6 2,-0.4 -49,-0.2 -49,-0.1 -0.988 10.5-176.6-131.2 137.8 -11.2 3.3 7.3 52 53 A E 0 0 146 -51,-0.6 -2,-0.0 -2,-0.4 -20,-0.0 -0.971 360.0 360.0-137.9 120.9 -12.8 4.3 10.6 53 54 A Y 0 0 290 -2,-0.4 -1,-0.1 -51,-0.0 -51,-0.0 0.782 360.0 360.0 -65.0 360.0 -16.2 3.2 11.8