==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 06-SEP-00 1FQQ . COMPND 2 MOLECULE: BETA-DEFENSIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.V.SAWAI,H.P.JIA,L.LIU,V.ASEYEV,J.M.WIENCEK,P.B.MCCRAY JR., . 41 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 51.2 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 . 9 22.0 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 2.4 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.4 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 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 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 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 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 G 0 0 96 0, 0.0 7,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-172.4 2.1 0.0 -1.2 2 2 A I + 0 0 88 1,-0.1 6,-0.1 5,-0.1 5,-0.0 0.292 360.0 57.5 -13.5 114.6 1.6 -2.0 -4.4 3 3 A G S S+ 0 0 38 1,-0.2 -1,-0.1 26,-0.1 4,-0.1 0.744 80.3 103.9 114.0 59.7 -1.9 -3.3 -4.1 4 4 A D S S- 0 0 40 25,-0.2 25,-1.5 1,-0.1 -1,-0.2 -0.846 78.9 -95.7-149.8-176.8 -4.3 -0.4 -3.6 5 5 A P S S+ 0 0 49 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.893 120.7 22.8 -75.0 -42.8 -6.9 1.8 -5.5 6 6 A V S >> S+ 0 0 101 2,-0.2 3,-3.8 1,-0.1 4,-1.0 0.945 123.3 49.1 -85.5 -72.9 -4.4 4.5 -6.4 7 7 A T H 3> S+ 0 0 27 1,-0.3 4,-1.2 2,-0.2 6,-0.2 0.755 97.5 78.0 -38.1 -29.2 -1.0 2.9 -6.3 8 8 A a H >4>S+ 0 0 0 1,-0.3 5,-2.4 2,-0.2 3,-0.8 0.897 97.1 42.3 -49.0 -44.9 -2.8 0.3 -8.4 9 9 A L H X45S+ 0 0 101 -3,-3.8 3,-2.2 -4,-0.3 -1,-0.3 0.801 102.6 68.1 -71.9 -30.0 -2.4 2.7 -11.3 10 10 A K H 3<5S+ 0 0 147 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.731 105.6 43.0 -60.5 -21.7 1.1 3.4 -10.2 11 11 A S T <<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.8 29,-0.3 0.295 117.3-116.3-104.8 5.1 1.8 -0.2 -11.2 12 12 A G T < 5 + 0 0 53 -3,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.673 56.0 170.9 67.1 17.4 -0.2 0.2 -14.4 13 13 A A < - 0 0 10 -5,-2.4 26,-0.3 -6,-0.2 -1,-0.2 -0.233 32.6-113.7 -59.2 148.6 -2.5 -2.4 -13.0 14 14 A I E -A 38 0A 62 24,-3.3 24,-1.4 -3,-0.1 2,-0.6 -0.365 20.4-122.5 -81.7 164.4 -5.8 -2.9 -14.9 15 15 A b E +A 37 0A 49 22,-0.2 22,-0.2 -2,-0.1 15,-0.1 -0.945 44.2 149.6-114.4 113.5 -9.2 -2.1 -13.5 16 16 A H E -A 36 0A 87 20,-1.6 20,-1.1 -2,-0.6 -2,-0.0 -0.956 34.2-137.2-148.3 124.2 -11.6 -5.0 -13.4 17 17 A P S S+ 0 0 78 0, 0.0 2,-2.8 0, 0.0 18,-0.1 -0.254 82.3 9.5 -75.0 165.6 -14.5 -5.6 -11.0 18 18 A V S S- 0 0 131 16,-0.2 2,-0.2 2,-0.0 -2,-0.0 -0.406 132.0 -24.1 67.1 -76.3 -15.3 -9.0 -9.5 19 19 A F - 0 0 129 -2,-2.8 17,-0.2 17,-0.1 19,-0.1 -0.664 64.3-107.7-144.4-161.6 -12.1 -10.5 -10.8 20 20 A c - 0 0 25 -2,-0.2 6,-0.0 4,-0.1 17,-0.0 -0.949 24.6-142.8-147.7 121.7 -9.4 -10.2 -13.4 21 21 A P + 0 0 42 0, 0.0 3,-0.4 0, 0.0 -5,-0.0 -0.129 60.6 48.6 -75.0 175.8 -8.9 -12.6 -16.4 22 22 A R S S- 0 0 209 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.040 108.9 -63.0 78.5 168.3 -5.6 -13.6 -17.9 23 23 A R S S+ 0 0 246 2,-0.0 -1,-0.2 18,-0.0 2,-0.1 0.287 104.2 116.3 -71.2 12.9 -2.6 -14.9 -16.0 24 24 A Y + 0 0 75 -3,-0.4 2,-0.3 16,-0.1 16,-0.2 -0.341 38.2 165.4 -80.4 164.1 -2.6 -11.5 -14.4 25 25 A K E +B 39 0A 134 14,-3.3 14,-0.9 -2,-0.1 13,-0.1 -0.942 20.7 135.8-173.2 155.5 -3.1 -10.9 -10.7 26 26 A Q E -B 38 0A 21 -2,-0.3 12,-0.2 12,-0.2 14,-0.0 0.092 46.6-133.7-168.5 -59.0 -2.8 -8.2 -8.1 27 27 A I E + 0 0 118 10,-1.9 11,-0.2 1,-0.1 2,-0.1 0.857 60.2 128.9 86.3 41.6 -5.8 -7.9 -5.8 28 28 A G E -B 37 0A 2 9,-2.0 9,-0.8 1,-0.1 2,-0.2 -0.082 48.2-119.7-105.9-154.2 -6.0 -4.1 -5.9 29 29 A T - 0 0 32 -25,-1.5 -25,-0.2 7,-0.3 7,-0.1 -0.695 4.8-137.7-138.6-170.2 -8.8 -1.7 -6.7 30 30 A b S S- 0 0 48 3,-0.7 -21,-0.1 -2,-0.2 -1,-0.1 0.667 72.1 -44.9-120.1 -56.3 -9.8 1.1 -9.1 31 31 A G S S- 0 0 36 2,-0.6 -1,-0.2 -25,-0.0 -25,-0.1 -0.269 102.0 -26.8-145.7-127.1 -11.3 3.9 -7.0 32 32 A L S S+ 0 0 175 -2,-0.1 2,-0.1 -3,-0.1 0, 0.0 0.771 115.1 85.7 -73.6 -27.2 -13.8 4.1 -4.1 33 33 A P S S- 0 0 66 0, 0.0 2,-1.2 0, 0.0 -3,-0.7 -0.379 96.2-110.3 -75.0 153.9 -15.4 0.9 -5.4 34 34 A G + 0 0 73 -5,-0.1 -16,-0.2 -4,-0.1 -2,-0.1 -0.059 61.0 165.8 -74.9 37.1 -14.0 -2.5 -4.3 35 35 A T - 0 0 20 -2,-1.2 2,-0.7 -18,-0.1 -5,-0.0 0.015 39.9-117.6 -49.9 161.9 -12.8 -2.9 -7.8 36 36 A K E -A 16 0A 70 -20,-1.1 -20,-1.6 -17,-0.2 2,-0.3 -0.905 26.6-160.5-112.5 103.7 -10.4 -5.7 -8.6 37 37 A a E -AB 15 28A 1 -9,-0.8 -9,-2.0 -2,-0.7 -10,-1.9 -0.656 6.2-160.9 -84.4 136.9 -7.1 -4.4 -9.9 38 38 A c E +AB 14 26A 0 -24,-1.4 -24,-3.3 -2,-0.3 2,-0.3 -0.951 14.9 167.1-121.4 139.8 -4.9 -6.8 -11.7 39 39 A K E - B 0 25A 48 -14,-0.9 -14,-3.3 -2,-0.4 -27,-0.1 -0.833 49.7 -61.1-140.4 176.4 -1.2 -6.5 -12.4 40 40 A K 0 0 150 -29,-0.3 -16,-0.1 -2,-0.3 -27,-0.0 -0.516 360.0 360.0 -66.9 112.8 1.8 -8.5 -13.6 41 41 A P 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 -0.597 360.0 360.0 -75.0 360.0 2.1 -11.4 -11.0