==== 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 1E4S . COMPND 2 MOLECULE: BETA-DEFENSIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.BAUER,K.SCHWEIMER,E.KLUVER,K.ADERMANN,W.G.FORSSMANN, . 36 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 52.8 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 . 6 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.8 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 . 1 2.8 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 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.8 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 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 33 A D 0 0 209 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.5 3.7 -3.5 13.6 2 34 A H - 0 0 158 2,-0.0 2,-0.4 0, 0.0 26,-0.1 -0.833 360.0-128.8-130.3 170.3 0.4 -3.5 11.6 3 35 A Y - 0 0 88 -2,-0.3 2,-0.7 24,-0.0 25,-0.0 -0.972 10.5-158.7-125.2 128.4 -2.0 -6.1 10.2 4 36 A N >> - 0 0 61 -2,-0.4 4,-0.6 1,-0.1 3,-0.5 -0.855 10.3-179.6-107.7 105.3 -3.2 -6.2 6.6 5 37 A a T 34>S+ 0 0 2 -2,-0.7 5,-0.8 1,-0.2 4,-0.3 0.466 76.1 74.2 -80.7 2.5 -6.5 -8.2 6.2 6 38 A V T >45S+ 0 0 85 2,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.854 89.1 54.7 -83.2 -34.9 -6.3 -7.5 2.5 7 39 A S T <45S+ 0 0 103 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 104.6 55.4 -68.0 -29.4 -3.5 -10.0 1.7 8 40 A S T 3<5S- 0 0 60 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.708 123.1-105.8 -76.2 -16.8 -5.6 -12.8 3.4 9 41 A G T < 5S+ 0 0 61 -3,-0.6 -3,-0.2 1,-0.4 -2,-0.1 0.215 86.9 111.6 111.4 -14.5 -8.5 -12.0 1.0 10 42 A G < - 0 0 8 -5,-0.8 -1,-0.4 -6,-0.1 2,-0.3 -0.166 59.3-130.0 -80.9-177.7 -10.7 -10.3 3.6 11 43 A Q E -A 35 0A 113 24,-3.3 24,-3.1 -3,-0.1 2,-0.6 -0.924 4.3-130.3-133.8 160.1 -11.5 -6.5 3.6 12 44 A b E -A 34 0A 35 -2,-0.3 22,-0.2 22,-0.3 2,-0.1 -0.891 26.9-173.5-114.9 107.4 -11.3 -3.7 6.2 13 45 A L E -A 33 0A 46 20,-1.9 20,-1.2 -2,-0.6 4,-0.1 -0.340 31.6-121.9 -89.6 176.4 -14.5 -1.6 6.4 14 46 A Y S S+ 0 0 177 18,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.741 93.4 54.7 -91.0 -24.0 -15.0 1.6 8.5 15 47 A S S S- 0 0 76 1,-0.2 18,-0.4 18,-0.1 -2,-0.2 -0.647 112.9 -61.3-105.6 165.7 -17.9 0.2 10.6 16 48 A A S S- 0 0 84 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.118 76.5 -85.5 -43.0 130.8 -18.1 -2.9 12.7 17 49 A c - 0 0 28 -4,-0.1 -1,-0.1 17,-0.1 2,-0.1 -0.139 51.0-119.6 -43.1 127.9 -17.5 -5.9 10.3 18 50 A P > - 0 0 40 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.408 14.8-119.0 -72.3 147.0 -21.0 -6.7 8.9 19 51 A I T 3 S+ 0 0 152 1,-0.3 -2,-0.1 -2,-0.1 4,-0.1 0.784 108.3 79.8 -58.7 -22.1 -22.3 -10.2 9.5 20 52 A F T 3 S+ 0 0 187 2,-0.0 -1,-0.3 15,-0.0 2,-0.2 0.714 101.1 40.2 -59.7 -14.8 -22.3 -10.7 5.7 21 53 A T S < S- 0 0 45 -3,-2.4 2,-0.2 13,-0.1 -11,-0.0 -0.786 91.5-103.9-127.4 172.9 -18.5 -11.3 6.2 22 54 A K - 0 0 143 14,-3.9 14,-1.0 -2,-0.2 2,-0.7 -0.526 35.0-107.1 -94.1 165.3 -16.4 -13.2 8.7 23 55 A I B -B 35 0A 107 12,-0.2 12,-0.2 -2,-0.2 3,-0.1 -0.806 27.5-176.8 -95.5 116.1 -14.2 -11.6 11.4 24 56 A Q - 0 0 39 -2,-0.7 2,-0.6 10,-0.6 11,-0.1 0.243 56.7 -95.4 -93.8 15.8 -10.5 -11.8 10.6 25 57 A G S S- 0 0 33 9,-0.3 2,-0.3 -20,-0.0 9,-0.2 -0.913 75.2 -25.3 112.8-114.6 -9.6 -10.2 14.0 26 58 A T - 0 0 81 -2,-0.6 7,-0.2 7,-0.1 2,-0.1 -0.808 53.6-135.3-131.4 174.0 -9.1 -6.4 14.0 27 59 A b - 0 0 10 5,-0.8 -23,-0.1 2,-0.5 -1,-0.0 -0.312 53.4 -62.4-114.1-159.5 -8.0 -3.7 11.5 28 60 A Y S S+ 0 0 129 -2,-0.1 2,-0.3 -26,-0.1 -24,-0.0 0.927 120.9 8.0 -55.5 -43.8 -5.7 -0.7 11.6 29 61 A R S > S- 0 0 166 1,-0.1 3,-1.1 0, 0.0 -2,-0.5 -0.865 80.3-106.7-133.4 168.9 -7.7 0.9 14.4 30 62 A G T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.790 115.6 67.9 -67.7 -23.2 -10.7 -0.1 16.6 31 63 A K T 3 S+ 0 0 142 -15,-0.0 2,-0.3 -16,-0.0 -1,-0.2 0.801 104.0 48.3 -67.2 -24.8 -12.9 2.2 14.5 32 64 A A S < S- 0 0 11 -3,-1.1 -5,-0.8 -16,-0.0 2,-0.3 -0.748 71.6-158.6-112.8 162.8 -12.4 -0.2 11.6 33 65 A K E -A 13 0A 56 -20,-1.2 -20,-1.9 -18,-0.4 2,-0.2 -0.998 17.0-122.3-141.8 144.2 -12.8 -4.0 11.4 34 66 A a E -A 12 0A 0 -2,-0.3 -10,-0.6 -22,-0.2 2,-0.3 -0.511 29.7-170.9 -83.0 153.5 -11.5 -6.7 9.0 35 67 A c E AB 11 23A 1 -24,-3.1 -24,-3.3 -12,-0.2 -12,-0.2 -0.978 360.0 360.0-142.5 156.2 -13.9 -9.0 7.1 36 68 A K 0 0 127 -14,-1.0 -14,-3.9 -2,-0.3 -26,-0.1 -0.860 360.0 360.0-160.8 360.0 -13.7 -12.1 4.9