==== 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 1E4Q . COMPND 2 MOLECULE: BETA-DEFENSIN 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.BAUER,K.SCHWEIMER,E.KLUVER,K.ADERMANN,W.G.FORSSMANN, . 37 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 45.9 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 . 7 18.9 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 2.7 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 2.7 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.7 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 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 28 A P 0 0 139 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 90.3 -6.1 -7.6 12.0 2 29 A V - 0 0 68 23,-1.5 23,-0.1 1,-0.1 22,-0.1 -0.935 360.0-151.5-115.0 129.2 -7.3 -7.9 8.4 3 30 A T - 0 0 104 -2,-0.5 -1,-0.1 1,-0.1 24,-0.1 0.747 22.2-150.3 -69.0 -19.3 -6.3 -10.8 6.1 4 31 A a >> + 0 0 16 1,-0.1 4,-0.8 21,-0.1 5,-0.7 0.784 56.3 129.8 56.2 22.4 -6.7 -8.5 3.1 5 32 A L T 45 + 0 0 125 2,-0.2 -1,-0.1 1,-0.2 21,-0.0 0.897 68.4 48.0 -75.4 -38.5 -7.6 -11.6 1.1 6 33 A K T 45S+ 0 0 206 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.923 111.5 49.4 -68.7 -41.6 -10.8 -10.2 -0.4 7 34 A S T 45S- 0 0 61 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.756 104.0-133.5 -69.8 -20.5 -9.1 -7.0 -1.4 8 35 A G T <5 + 0 0 56 -4,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.588 51.9 153.1 79.2 6.7 -6.3 -9.0 -3.1 9 36 A A < - 0 0 13 -5,-0.7 26,-0.3 26,-0.1 2,-0.2 -0.385 42.4-124.8 -68.9 147.7 -3.7 -6.8 -1.4 10 37 A I - 0 0 62 24,-0.5 24,-2.7 23,-0.1 2,-0.3 -0.646 19.3-120.4 -93.4 151.8 -0.3 -8.3 -0.7 11 38 A b E -A 33 0A 47 22,-0.3 22,-0.3 -2,-0.2 11,-0.0 -0.690 24.0-154.8 -91.3 142.6 1.3 -8.4 2.7 12 39 A H E -A 32 0A 52 20,-4.6 20,-4.7 -2,-0.3 14,-0.2 -0.933 16.4-118.2-120.0 142.2 4.7 -6.7 3.3 13 40 A P E S-A 31 0A 69 0, 0.0 2,-1.2 0, 0.0 18,-0.2 -0.310 85.7 -6.9 -71.5 155.9 7.2 -7.5 6.0 14 41 A V S S- 0 0 106 16,-1.4 2,-0.3 15,-0.1 -2,-0.1 -0.361 130.5 -15.4 59.3 -93.9 8.2 -4.9 8.6 15 42 A F S S- 0 0 120 -2,-1.2 17,-0.1 17,-0.1 19,-0.0 -0.946 74.3 -95.8-139.1 161.4 6.3 -1.9 7.1 16 43 A c - 0 0 15 -2,-0.3 6,-0.2 17,-0.1 17,-0.1 -0.648 39.7-144.8 -80.5 127.6 4.6 -1.0 3.8 17 44 A P - 0 0 39 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.185 34.4 -87.9 -72.4-162.4 6.9 1.1 1.5 18 45 A R S S+ 0 0 242 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.870 124.2 62.3 -81.2 -36.6 5.7 3.8 -0.9 19 46 A R S S+ 0 0 185 1,-0.1 2,-0.4 17,-0.1 -1,-0.2 0.825 111.0 44.5 -58.7 -27.6 4.9 1.5 -3.8 20 47 A Y S S- 0 0 43 16,-0.1 2,-0.6 14,-0.0 16,-0.2 -0.948 81.6-136.6-120.8 138.7 2.4 -0.2 -1.5 21 48 A K E -B 35 0B 148 14,-1.5 2,-0.9 -2,-0.4 14,-0.7 -0.800 20.1-130.5 -95.1 124.3 -0.1 1.6 0.8 22 49 A Q E -B 34 0B 101 -2,-0.6 12,-0.2 -6,-0.2 -11,-0.0 -0.581 25.1-179.8 -74.8 105.6 -0.5 0.1 4.3 23 50 A I - 0 0 100 -2,-0.9 -1,-0.2 10,-0.8 11,-0.1 0.826 65.5 -69.4 -75.2 -28.5 -4.2 -0.3 4.9 24 51 A G S S- 0 0 26 9,-0.7 2,-0.3 -3,-0.1 3,-0.1 -0.444 85.7 -31.7 176.8 -94.6 -3.6 -1.8 8.4 25 52 A T - 0 0 38 7,-0.2 -23,-1.5 1,-0.1 7,-0.2 -0.973 37.7-131.2-155.2 138.0 -1.9 -5.2 9.0 26 53 A b S S- 0 0 30 -2,-0.3 6,-0.2 5,-0.3 -1,-0.1 0.955 73.1 -79.4 -54.1 -50.4 -1.9 -8.6 7.2 27 54 A G S S+ 0 0 37 1,-0.7 -24,-0.1 4,-0.6 -1,-0.1 0.062 106.5 51.8 176.8 -45.3 -2.8 -10.4 10.4 28 55 A L S > S- 0 0 132 3,-0.1 -1,-0.7 1,-0.1 3,-0.6 -0.713 82.1-113.1-110.8 164.9 0.4 -10.9 12.5 29 56 A P T 3 S+ 0 0 118 0, 0.0 -15,-0.1 0, 0.0 -1,-0.1 0.508 108.9 74.0 -72.8 -3.0 2.9 -8.4 13.8 30 57 A G T 3 S+ 0 0 52 1,-0.1 -16,-1.4 -17,-0.1 2,-0.3 0.922 107.8 16.7 -77.5 -43.5 5.5 -10.1 11.5 31 58 A T E < S-A 13 0A 53 -3,-0.6 -4,-0.6 -18,-0.2 2,-0.3 -0.826 72.1-136.1-125.3 166.4 4.1 -8.7 8.2 32 59 A K E -A 12 0A 51 -20,-4.7 -20,-4.6 -2,-0.3 2,-0.4 -0.923 27.5-105.9-123.2 148.6 1.8 -5.8 7.3 33 60 A a E +A 11 0A 0 -2,-0.3 -10,-0.8 -22,-0.3 -9,-0.7 -0.550 43.7 179.9 -73.5 127.9 -1.1 -5.8 4.8 34 61 A c E -B 22 0B 0 -24,-2.7 -24,-0.5 -2,-0.4 2,-0.4 -0.926 13.9-156.7-128.0 154.2 -0.1 -3.9 1.6 35 62 A K E -B 21 0B 100 -14,-0.7 -14,-1.5 -2,-0.3 -26,-0.1 -0.988 19.8-121.1-133.0 138.7 -2.0 -3.1 -1.6 36 63 A K 0 0 118 -2,-0.4 -16,-0.1 -16,-0.2 -17,-0.1 -0.531 360.0 360.0 -77.8 143.5 -0.6 -2.3 -5.1 37 64 A P 0 0 157 0, 0.0 -1,-0.1 0, 0.0 -18,-0.0 0.506 360.0 360.0 -72.5 360.0 -1.6 1.1 -6.7