==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 04-DEC-01 1KJ5 . COMPND 2 MOLECULE: BETA-DEFENSIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.SCHIBLI,H.N.HUNTER,V.ASEYEV,T.D.STARNER,J.M.WIENCEK, . 36 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 41.7 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 . 9 25.0 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 . 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.8 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 . 0 0.0 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 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 D 0 0 190 0, 0.0 2,-0.5 0, 0.0 25,-0.3 0.000 360.0 360.0 360.0 134.9 9.3 -5.7 2.1 2 2 A H - 0 0 93 23,-0.1 25,-0.2 1,-0.1 26,-0.1 -0.410 360.0-136.9 -60.1 108.1 6.4 -5.2 -0.3 3 3 A Y - 0 0 125 23,-1.3 2,-1.9 -2,-0.5 3,-0.3 -0.193 35.4 -82.2 -63.5 158.7 3.3 -6.4 1.7 4 4 A N S S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.441 86.0 124.7 -66.6 86.1 0.7 -8.5 0.0 5 5 A a >>> + 0 0 0 -2,-1.9 4,-2.3 5,-0.1 3,-1.3 0.782 69.3 36.8-106.9 -74.3 -1.2 -5.7 -1.6 6 6 A V T 345S+ 0 0 97 -3,-0.3 -2,-0.1 3,-0.3 5,-0.0 0.754 101.9 82.8 -53.6 -25.2 -1.6 -6.0 -5.3 7 7 A S T 345S+ 0 0 83 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.907 112.3 13.5 -45.4 -53.4 -1.9 -9.8 -4.6 8 8 A S T <45S- 0 0 122 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.754 140.6 -61.2 -95.7 -31.2 -5.6 -9.3 -3.8 9 9 A G T <5S+ 0 0 60 -4,-2.3 -3,-0.3 26,-0.1 2,-0.2 0.416 87.4 128.8 147.3 54.6 -6.0 -5.8 -5.3 10 10 A G < - 0 0 12 -5,-0.6 2,-0.3 24,-0.0 26,-0.2 -0.725 32.6-156.8-123.9 174.3 -3.9 -3.2 -3.6 11 11 A Q E -A 35 0A 145 24,-1.7 24,-2.0 -2,-0.2 2,-0.5 -0.986 20.6-114.8-150.0 156.4 -1.4 -0.5 -4.5 12 12 A b E +A 34 0A 28 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.813 32.2 178.8 -98.0 131.1 1.4 1.5 -3.0 13 13 A L E -A 33 0A 57 20,-1.8 20,-2.4 -2,-0.5 14,-0.1 -0.997 33.7-139.7-134.9 134.8 1.1 5.3 -2.5 14 14 A Y S S+ 0 0 168 -2,-0.4 2,-0.2 18,-0.3 -1,-0.1 0.793 93.1 51.0 -59.1 -28.7 3.5 7.8 -1.0 15 15 A S S S- 0 0 89 1,-0.2 18,-0.3 18,-0.1 -2,-0.1 -0.603 107.5 -68.1-107.3 169.5 0.5 9.4 0.7 16 16 A A S S- 0 0 84 -2,-0.2 -1,-0.2 1,-0.2 19,-0.1 -0.068 75.4 -67.1 -52.6 154.3 -2.3 8.1 2.8 17 17 A c - 0 0 27 1,-0.1 -1,-0.2 17,-0.1 6,-0.1 -0.109 46.2-155.4 -45.3 134.0 -4.9 5.8 1.2 18 18 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.972 70.3 40.7 -77.1 -78.9 -7.1 7.6 -1.3 19 19 A I S S- 0 0 106 1,-0.2 2,-1.3 3,-0.0 0, 0.0 0.223 116.9 -69.2 -56.6-172.1 -10.4 5.7 -1.6 20 20 A F S S+ 0 0 193 2,-0.0 -1,-0.2 0, 0.0 2,-0.0 -0.108 98.2 120.7 -77.9 41.4 -12.2 4.3 1.4 21 21 A T - 0 0 47 -2,-1.3 2,-0.3 14,-0.0 14,-0.0 -0.073 58.2-124.3 -90.0-165.8 -9.4 1.7 1.7 22 22 A K - 0 0 132 -6,-0.0 14,-1.3 -2,-0.0 2,-0.4 -0.966 12.9-126.8-150.1 128.5 -7.0 1.0 4.7 23 23 A I E +B 35 0A 87 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.623 27.3 173.4 -78.1 124.4 -3.2 0.9 4.8 24 24 A Q E - 0 0 103 10,-1.8 -1,-0.2 -2,-0.4 2,-0.1 0.896 60.3 -27.9 -93.8 -57.7 -1.9 -2.3 6.3 25 25 A G E S-B 34 0A 17 9,-0.7 9,-1.3 -22,-0.0 2,-0.3 -0.420 77.3 -66.6-136.1-148.6 1.9 -2.0 5.9 26 26 A T E -B 33 0A 70 7,-0.3 -23,-1.3 -25,-0.3 7,-0.3 -0.898 26.4-158.8-119.0 147.2 4.5 -0.5 3.7 27 27 A b S S+ 0 0 4 5,-2.5 -1,-0.2 -2,-0.3 6,-0.1 0.869 70.5 15.4 -83.9 -95.4 5.4 -1.2 0.0 28 28 A Y S S- 0 0 127 -26,-0.1 -25,-0.1 1,-0.1 6,-0.1 0.368 120.6 -49.8 -61.5-156.6 8.9 -0.1 -1.0 29 29 A R S S- 0 0 257 1,-0.1 -1,-0.1 -27,-0.0 -3,-0.0 0.832 107.6 -65.0 -50.1 -35.4 11.7 0.7 1.4 30 30 A G S S+ 0 0 51 3,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.389 112.2 103.7 155.6 17.4 9.3 3.0 3.2 31 31 A K S S+ 0 0 168 1,-0.2 2,-0.4 -16,-0.0 -2,-0.0 0.709 86.4 38.5 -89.7 -24.2 8.4 5.8 0.8 32 32 A A S S- 0 0 2 -20,-0.0 -5,-2.5 2,-0.0 2,-0.4 -0.969 75.3-136.7-130.3 144.9 5.0 4.3 -0.0 33 33 A K E -AB 13 26A 18 -20,-2.4 -20,-1.8 -2,-0.4 2,-0.5 -0.812 21.9-121.5-102.2 139.7 2.4 2.5 2.1 34 34 A a E -AB 12 25A 0 -9,-1.3 -10,-1.8 -2,-0.4 -9,-0.7 -0.663 36.1-179.6 -81.7 125.5 0.5 -0.6 0.9 35 35 A c E AB 11 23A 5 -24,-2.0 -24,-1.7 -2,-0.5 -12,-0.2 -0.928 360.0 360.0-127.5 151.5 -3.2 -0.2 0.8 36 36 A K 0 0 53 -14,-1.3 -13,-0.1 -2,-0.3 -1,-0.1 0.314 360.0 360.0-166.0 360.0 -6.1 -2.4 -0.1