==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 30-SEP-05 2B68 . COMPND 2 MOLECULE: DEFENSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRASSOSTREA GIGAS; . AUTHOR Y.GUEGUEN,H.AMAURY,A.AUMELAS,J.GARNIER,J.FIEVET, . 43 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 48.8 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 . 4 9.3 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 . 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 . 1 2.3 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 . 2 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 4.7 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 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 57 0, 0.0 32,-0.2 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0-119.8 2.1 0.0 -1.2 2 2 A F - 0 0 125 30,-0.4 31,-0.1 31,-0.2 12,-0.1 0.057 360.0 -10.2-167.3 34.7 5.7 1.0 -1.3 3 3 A G S S+ 0 0 27 1,-0.7 5,-0.1 29,-0.4 30,-0.1 -0.118 97.5 139.0 161.6 -48.4 5.8 4.8 -1.5 4 4 A a + 0 0 18 3,-0.5 -1,-0.7 28,-0.2 2,-0.2 -0.185 35.0 68.9 -64.9 162.4 2.4 6.0 -2.3 5 5 A P S S+ 0 0 86 0, 0.0 27,-0.1 0, 0.0 26,-0.1 0.574 131.5 8.3 -75.0 161.2 0.5 8.0 -1.8 6 6 A G S S+ 0 0 70 -2,-0.2 -2,-0.1 25,-0.1 26,-0.0 0.928 114.1 85.9 71.7 48.0 2.5 10.7 -3.5 7 7 A N + 0 0 54 2,-0.0 -3,-0.5 3,-0.0 4,-0.3 -0.267 30.8 145.2-176.6 76.0 5.1 8.3 -4.9 8 8 A Q S > S+ 0 0 92 2,-0.2 4,-0.9 1,-0.1 15,-0.2 0.685 79.4 56.1 -90.6 -23.0 4.3 6.7 -8.2 9 9 A L H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.725 99.4 61.1 -79.3 -23.8 8.0 6.7 -9.3 10 10 A K H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.754 102.7 51.5 -72.6 -25.2 8.9 4.8 -6.2 11 11 A b H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.820 111.5 46.8 -78.8 -33.5 6.7 2.0 -7.4 12 12 A N H X S+ 0 0 54 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.895 115.7 44.3 -73.5 -42.5 8.4 2.0 -10.8 13 13 A N H X S+ 0 0 53 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.844 115.5 49.0 -69.6 -34.8 11.8 2.1 -9.2 14 14 A H H X S+ 0 0 49 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.828 112.3 47.8 -72.6 -33.4 10.7 -0.6 -6.7 15 15 A c H X>S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-1.3 0.768 113.4 48.7 -76.4 -27.2 9.3 -2.7 -9.6 16 16 A K H <5S+ 0 0 139 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.732 113.2 47.4 -82.1 -25.0 12.6 -2.1 -11.4 17 17 A S H <5S+ 0 0 105 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.789 117.4 42.1 -83.9 -31.7 14.5 -3.1 -8.3 18 18 A I H <5S- 0 0 75 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.948 131.7 -79.4 -78.3 -54.3 12.4 -6.2 -7.7 19 19 A S T <5S+ 0 0 94 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.306 89.3 93.7 147.6 67.9 12.2 -7.3 -11.3 20 20 A d < - 0 0 24 -5,-1.3 19,-0.3 19,-0.2 18,-0.1 -0.839 66.7-115.6-155.0-171.7 9.6 -5.5 -13.5 21 21 A R S S- 0 0 141 17,-3.8 2,-0.3 16,-0.7 17,-0.2 0.848 81.8 -28.5-101.5 -61.1 9.3 -2.6 -15.9 22 22 A A E -A 37 0A 40 15,-2.3 15,-1.3 16,-0.8 -1,-0.3 -0.947 56.4-172.2-162.6 140.6 7.0 -0.1 -14.2 23 23 A G E -A 36 0A 15 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.284 7.9-150.0-116.2-158.5 4.1 -0.2 -11.7 24 24 A Y E -A 35 0A 98 11,-1.6 11,-2.4 -13,-0.1 2,-0.5 -0.958 27.2 -93.3-173.4 159.1 1.6 2.1 -10.3 25 25 A a - 0 0 0 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.741 58.4 -94.3 -86.7 123.3 -0.5 2.9 -7.2 26 26 A D > > - 0 0 59 -2,-0.5 5,-2.3 1,-0.2 3,-2.3 -0.087 36.9-163.4 -38.1 100.4 -4.0 1.4 -7.4 27 27 A A T 3 5S+ 0 0 49 1,-0.3 3,-0.4 3,-0.2 -1,-0.2 0.560 90.7 59.9 -68.3 -7.1 -5.8 4.4 -8.9 28 28 A A T 3 5S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.351 102.2 52.1 -99.8 1.8 -8.9 2.5 -7.7 29 29 A T T < 5S- 0 0 52 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.013 127.0 -93.1-124.3 24.0 -7.7 2.6 -4.2 30 30 A L T 5S- 0 0 145 -3,-0.4 -3,-0.2 -5,-0.1 -4,-0.1 0.762 77.6 -69.5 68.9 25.5 -7.0 6.3 -4.0 31 31 A W S