==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 02-AUG-12 2LWL . COMPND 2 MOLECULE: BETA-DEFENSIN 106; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.S.DE PAULA,N.S.F.GOMES,L.G.LIMA,C.A.MIYAMOTO,R.Q.MONTEIRO, . 45 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 66.7 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 . 11 24.4 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 2.2 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 . 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 . 8 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 1 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 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 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 F > 0 0 202 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -46.1 8.2 -12.8 1.0 2 2 A F H >> + 0 0 188 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.981 360.0 27.2 -57.1 -65.3 5.3 -11.1 2.9 3 3 A D H 3> S+ 0 0 41 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.479 109.8 73.4 -83.0 0.7 4.3 -8.4 0.4 4 4 A E H 3> S+ 0 0 128 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.873 102.0 43.1 -69.1 -39.7 5.6 -10.7 -2.4 5 5 A K H S+ 0 0 4 -4,-1.0 5,-3.4 2,-0.2 -2,-0.2 0.879 100.4 56.7 -63.4 -37.4 0.8 -9.2 -1.5 7 7 A N H ><5S+ 0 0 111 -4,-1.7 3,-1.1 3,-0.3 -1,-0.2 0.898 106.5 49.3 -59.4 -40.4 2.0 -8.7 -5.0 8 8 A K H 3<5S+ 0 0 153 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.7 51.9 -64.2 -37.5 0.1 -11.9 -5.9 9 9 A L T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.346 123.9-112.6 -80.4 4.9 -2.9 -10.5 -4.1 10 10 A K T < 5 + 0 0 166 -3,-1.1 2,-0.5 1,-0.2 26,-0.4 0.774 61.8 157.6 71.0 30.5 -2.4 -7.5 -6.3 11 11 A G < - 0 0 4 -5,-3.4 2,-0.4 24,-0.1 -1,-0.2 -0.763 32.7-141.9 -87.6 127.5 -1.4 -5.1 -3.6 12 12 A T E -A 34 0A 75 22,-1.7 22,-3.1 -2,-0.5 2,-0.9 -0.743 10.6-127.5 -94.4 133.6 0.7 -2.2 -4.8 13 13 A C E +A 33 0A 56 -2,-0.4 20,-0.3 20,-0.3 2,-0.3 -0.687 46.5 153.9 -81.1 107.6 3.6 -0.8 -2.7 14 14 A K E -A 32 0A 62 18,-2.6 18,-2.6 -2,-0.9 13,-0.2 -0.801 50.9-119.1-127.2 170.5 3.0 2.9 -2.3 15 15 A N S S+ 0 0 102 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.978 99.0 21.6 -75.3 -58.7 4.0 5.5 0.3 16 16 A N S S- 0 0 123 -3,-0.1 -1,-0.3 18,-0.0 2,-0.1 -0.922 89.8-112.2-113.6 138.0 0.5 6.6 1.4 17 17 A C - 0 0 47 -2,-0.4 3,-0.1 -3,-0.1 6,-0.1 -0.432 36.1-157.0 -71.4 137.4 -2.6 4.4 1.0 18 18 A G > - 0 0 26 1,-0.2 3,-2.9 -2,-0.1 -1,-0.1 0.048 48.3 -9.4 -97.0-157.0 -5.2 5.7 -1.5 19 19 A K T 3 S- 0 0 133 1,-0.3 -1,-0.2 17,-0.1 3,-0.1 -0.125 133.8 -20.7 -42.7 113.0 -8.9 5.3 -2.0 20 20 A N T 3 S+ 0 0 99 1,-0.2 17,-1.5 -3,-0.1 2,-0.4 0.660 105.8 141.1 58.3 17.3 -10.1 2.5 0.2 21 21 A E E < -B 36 0A 17 -3,-2.9 2,-0.3 15,-0.2 15,-0.2 -0.723 32.7-166.2 -95.1 138.8 -6.5 1.3 0.4 22 22 A E E -B 35 0A 74 13,-1.3 13,-1.7 -2,-0.4 2,-0.6 -0.883 28.6-106.1-122.6 155.8 -5.1 -0.1 3.6 23 23 A L E +B 34 0A 83 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.708 44.7 159.9 -82.0 117.0 -1.5 -0.9 4.7 24 24 A I E + 0 0 69 9,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.630 61.7 13.6-114.0 -21.5 -1.1 -4.6 4.7 25 25 A A E -B 33 0A 13 8,-1.0 8,-2.5 -22,-0.1 2,-0.6 -0.992 67.2-121.7-158.4 149.1 2.7 -5.0 4.6 26 26 A L E -B 32 0A 129 -2,-0.3 6,-0.2 6,-0.2 -23,-0.2 -0.845 32.7-171.5 -99.1 118.1 5.8 -3.0 5.1 27 27 A C - 0 0 22 4,-2.1 3,-0.5 -2,-0.6 2,-0.1 -0.327 27.1 -92.0 -97.3 179.7 8.1 -2.9 2.1 28 28 A Q S > S+ 0 0 157 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 -0.354 104.0 42.0 -84.6 171.9 11.7 -1.6 1.6 29 29 A K T 3 S- 0 0 179 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.665 133.0 -71.8 64.3 15.1 12.5 2.0 0.4 30 30 A S T 3 S+ 0 0 87 -3,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.590 97.8 139.4 74.3 13.6 9.7 3.1 2.7 31 31 A L < - 0 0 48 -3,-2.0 -4,-2.1 -18,-0.1 2,-0.4 -0.547 38.2-154.2 -79.8 152.7 7.0 1.7 0.4 32 32 A K E -AB 14 26A 53 -18,-2.6 -18,-2.6 -6,-0.2 2,-0.8 -0.999 21.3-117.0-129.9 135.5 4.0 -0.1 2.0 33 33 A a E -AB 13 25A 0 -8,-2.5 -9,-2.8 -2,-0.4 -8,-1.0 -0.592 38.7-173.5 -74.8 108.6 1.9 -2.7 0.3 34 34 A C E -AB 12 23A 0 -22,-3.1 -22,-1.7 -2,-0.8 2,-0.4 -0.908 12.8-147.1-109.8 128.0 -1.5 -1.2 0.1 35 35 A R E - B 0 22A 66 -13,-1.7 2,-1.5 -2,-0.5 -13,-1.3 -0.808 15.7-130.2 -96.5 131.9 -4.5 -3.1 -1.2 36 36 A T E - B 0 21A 86 -2,-0.4 -15,-0.2 -26,-0.4 -16,-0.1 -0.647 35.9-153.9 -79.6 89.4 -7.2 -1.4 -3.1 37 37 A I - 0 0 10 -17,-1.5 7,-0.1 -2,-1.5 6,-0.1 -0.329 12.2-117.5 -71.7 144.0 -10.1 -2.8 -1.0 38 38 A Q - 0 0 136 5,-0.2 3,-0.2 1,-0.1 5,-0.1 -0.702 30.2-148.2 -82.4 128.5 -13.6 -3.1 -2.5 39 39 A P S S+ 0 0 80 0, 0.0 2,-1.6 0, 0.0 3,-0.1 -0.083 70.5 55.5 -81.1-172.7 -16.3 -1.0 -0.8 40 40 A S S S+ 0 0 142 1,-0.1 2,-0.1 -2,-0.0 -2,-0.0 -0.263 105.4 60.4 80.8 -47.2 -20.0 -1.7 -0.3 41 41 A G S S- 0 0 46 -2,-1.6 2,-2.4 -3,-0.2 -1,-0.1 -0.453 113.6 -70.3-101.5 177.1 -19.2 -4.9 1.4 42 42 A S > - 0 0 101 -2,-0.1 3,-0.9 1,-0.1 -4,-0.1 -0.463 69.1-109.4 -71.7 77.8 -17.3 -5.7 4.6 43 43 A I T 3 - 0 0 85 -2,-2.4 -5,-0.2 1,-0.2 -2,-0.1 0.011 67.7 -48.7 38.5-114.6 -13.9 -4.9 3.2 44 44 A I T 3 0 0 65 1,-0.1 -1,-0.2 -7,-0.1 -2,-0.1 0.200 360.0 360.0-132.8 10.8 -11.9 -8.1 2.7 45 45 A D < 0 0 191 -3,-0.9 -1,-0.1 0, 0.0 -2,-0.0 -0.750 360.0 360.0-136.8 360.0 -12.4 -9.7 6.1