==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEFENSIN 12-JUL-00 1E4R . COMPND 2 MOLECULE: BETA-DEFENSIN 8; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.BAUER,K.SCHWEIMER,E.KLUVER,K.ADERMANN,W.G.FORSSMANN, . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 51.4 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 . 6 17.1 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 . 1 2.9 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 . 3 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 14.3 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+4), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 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 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 . 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 1 A N > 0 0 176 0, 0.0 3,-1.0 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 122.0 12.4 -4.4 -15.8 2 2 A E T 3 + 0 0 166 1,-0.3 3,-0.0 2,-0.1 0, 0.0 0.911 360.0 47.5 -59.8 -41.7 11.8 -0.6 -15.6 3 3 A P T 3 S- 0 0 85 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.559 102.5-152.1 -77.2 -6.6 13.5 -0.4 -12.2 4 4 A V < - 0 0 70 -3,-1.0 -2,-0.1 4,-0.1 5,-0.0 0.150 37.1 -48.0 56.0 173.7 16.4 -2.5 -13.5 5 5 A S > - 0 0 44 1,-0.1 3,-1.6 -4,-0.1 4,-0.4 -0.069 68.4 -88.7 -67.7 177.2 18.4 -4.6 -11.1 6 6 A a G >>>S+ 0 0 12 20,-0.4 3,-1.5 1,-0.3 5,-0.8 0.754 119.7 79.8 -61.6 -19.9 19.7 -3.2 -7.8 7 7 A I G >45S+ 0 0 89 1,-0.3 3,-1.2 20,-0.2 -1,-0.3 0.858 77.9 69.6 -57.5 -32.4 22.8 -2.1 -9.7 8 8 A R G <45S+ 0 0 158 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.859 91.2 60.5 -56.1 -31.8 20.9 0.9 -11.0 9 9 A N G <45S- 0 0 110 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.850 120.6-109.3 -66.0 -30.4 20.9 2.3 -7.5 10 10 A G T <<5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.464 76.1 128.3 114.0 5.9 24.8 2.3 -7.6 11 11 A G < - 0 0 8 -5,-0.8 2,-0.2 1,-0.1 -1,-0.2 -0.202 56.5-111.2 -82.6-178.5 25.4 -0.5 -5.1 12 12 A I E -A 34 0A 101 22,-1.5 22,-2.5 -2,-0.0 2,-0.3 -0.708 20.7-134.1-112.1 166.6 27.6 -3.5 -5.9 13 13 A b E +A 33 0A 31 -2,-0.2 2,-0.3 20,-0.2 20,-0.2 -0.881 22.5 173.4-120.2 153.8 26.8 -7.2 -6.4 14 14 A Q E -A 32 0A 96 18,-1.5 18,-2.9 -2,-0.3 14,-0.2 -0.995 43.6-113.8-153.7 154.9 28.4 -10.4 -5.0 15 15 A Y S S+ 0 0 139 -2,-0.3 2,-0.3 16,-0.3 -1,-0.1 0.894 103.0 3.1 -59.9 -36.4 27.8 -14.2 -5.0 16 16 A R - 0 0 147 16,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.996 68.4-148.0-148.4 152.4 27.1 -14.0 -1.2 17 17 A c - 0 0 36 -2,-0.3 2,-0.2 -3,-0.1 6,-0.1 -0.907 11.5-138.6-123.0 152.2 27.0 -11.3 1.5 18 18 A I > - 0 0 107 -2,-0.3 3,-1.7 1,-0.1 -2,-0.0 -0.627 35.4 -99.1-103.8 165.9 27.8 -11.4 5.2 19 19 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.913 122.3 64.4 -49.8 -42.8 25.9 -9.8 8.1 20 20 A L T 3 S+ 0 0 130 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.870 98.7 65.1 -51.0 -35.1 28.4 -6.9 8.0 21 21 A R S < S- 0 0 69 -3,-1.7 2,-0.4 13,-0.0 -4,-0.1 -0.621 81.5-138.0 -89.9 150.2 27.0 -6.1 4.5 22 22 A H - 0 0 137 13,-0.8 13,-1.0 -2,-0.2 2,-0.5 -0.859 11.1-157.8-108.3 141.2 23.4 -5.0 4.0 23 23 A K + 0 0 96 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.951 19.5 172.0-121.8 121.9 21.2 -6.2 1.2 24 24 A I S S- 0 0 132 -2,-0.5 2,-0.3 9,-0.4 -1,-0.1 0.508 74.6 -22.2-101.4 -6.3 18.2 -4.3 -0.1 25 25 A G B S-B 33 0A 26 8,-0.6 8,-1.6 -19,-0.0 2,-0.7 -0.975 78.3 -76.9-178.2-174.2 17.6 -6.6 -3.1 26 26 A T - 0 0 79 -2,-0.3 -20,-0.4 6,-0.2 6,-0.2 -0.890 25.2-161.7-111.3 111.0 19.3 -9.1 -5.4 27 27 A b S S- 0 0 19 -2,-0.7 2,-0.2 -22,-0.2 -20,-0.2 0.947 75.0 -29.5 -53.7 -48.2 21.5 -7.6 -8.1 28 28 A G - 0 0 28 3,-0.9 5,-0.1 -14,-0.2 -14,-0.1 -0.753 69.7 -91.0-149.8-163.3 21.4 -10.8 -10.1 29 29 A S S S+ 0 0 124 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.896 124.0 42.8 -89.8 -42.9 21.0 -14.6 -9.6 30 30 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.364 127.0 33.5 -82.3 7.2 24.6 -15.5 -9.2 31 31 A F S S- 0 0 94 -16,-0.1 -3,-0.9 -18,-0.0 2,-0.3 -0.962 71.3-137.8-151.9 169.2 25.1 -12.4 -7.1 32 32 A K E -A 14 0A 46 -18,-2.9 -18,-1.5 -2,-0.3 2,-0.6 -0.926 29.0-104.9-131.2 157.3 23.3 -10.2 -4.5 33 33 A a E +AB 13 25A 5 -8,-1.6 -8,-0.6 -2,-0.3 -9,-0.4 -0.701 54.7 150.1 -84.8 119.0 23.0 -6.4 -4.0 34 34 A c E A 12 0A 3 -22,-2.5 -22,-1.5 -2,-0.6 -11,-0.2 -0.982 360.0 360.0-145.4 157.2 25.1 -5.3 -1.0 35 35 A K 0 0 188 -13,-1.0 -13,-0.8 -2,-0.3 -24,-0.1 -0.957 360.0 360.0-132.8 360.0 27.1 -2.2 0.1