==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BETA-DEFENSIN 12 08-MAR-95 1BNB . COMPND 2 MOLECULE: BOVINE NEUTROPHIL BETA-DEFENSIN 12; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.R.ZIMMERMANN,P.LEGAULT,M.E.SELSTED,A.PARDI . 38 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 50.0 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 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.6 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 . 4 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 5.3 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 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 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 A 0 0 107 0, 0.0 28,-0.5 0, 0.0 27,-0.4 0.000 360.0 360.0 360.0 159.8 -5.6 11.4 3.8 2 2 A P + 0 0 97 0, 0.0 2,-2.4 0, 0.0 27,-0.0 -0.387 360.0 3.6 -78.7 157.6 -3.3 11.9 0.8 3 3 A L S S+ 0 0 116 -2,-0.1 25,-0.1 2,-0.1 26,-0.1 -0.393 84.1 168.2 66.8 -79.3 -0.1 9.9 0.4 4 4 A S + 0 0 42 -2,-2.4 23,-0.1 23,-0.2 8,-0.1 -0.150 37.8 101.5 63.8-167.6 -0.6 7.8 3.5 5 5 A a >> + 0 0 10 21,-0.6 5,-1.4 4,-0.1 4,-1.3 0.573 58.3 107.4 69.3 5.0 1.6 4.7 4.1 6 6 A G T 45S+ 0 0 65 2,-0.2 -1,-0.1 3,-0.2 -3,-0.0 0.968 83.5 34.0 -78.8 -55.6 3.6 6.9 6.6 7 7 A R T 45S+ 0 0 222 1,-0.2 -1,-0.1 2,-0.1 18,-0.0 0.922 123.5 47.9 -65.3 -40.4 2.4 5.2 9.8 8 8 A N T 45S- 0 0 66 18,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.914 100.9-142.8 -67.0 -39.8 2.2 1.8 8.0 9 9 A G T <5 + 0 0 40 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.977 55.6 109.5 76.6 59.4 5.7 2.4 6.5 10 10 A G S - 0 0 59 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.635 41.3 -81.5 -79.2 125.3 1.4 -7.2 -6.7 19 19 A V T 3 S+ 0 0 117 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.309 110.1 27.6 -68.8 159.0 2.3 -10.6 -5.3 20 20 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.974 106.8 88.7 -81.6 10.8 4.1 -11.8 -3.5 21 21 A M S < S- 0 0 59 -3,-1.4 2,-0.3 14,-0.1 16,-0.2 -0.367 70.2-143.1 -63.3 141.1 4.0 -8.3 -1.8 22 22 A R E -B 36 0A 115 14,-1.9 14,-2.8 -3,-0.1 2,-0.2 -0.802 18.0-107.1-107.1 149.9 1.1 -8.1 0.7 23 23 A Q E +B 35 0A 87 -2,-0.3 12,-0.3 12,-0.2 3,-0.1 -0.478 34.0 176.1 -73.0 142.8 -1.0 -5.0 1.3 24 24 A I E - 0 0 27 10,-2.3 2,-0.3 1,-0.3 11,-0.2 -0.119 62.3 -30.5-139.4 39.9 -0.3 -3.3 4.6 25 25 A G E S- 0 0 26 9,-0.5 9,-2.2 -17,-0.0 2,-0.3 -0.906 73.0 -84.0 140.6-169.2 -2.6 -0.2 4.6 26 26 A T E -B 33 0A 49 7,-0.3 -21,-0.6 -2,-0.3 2,-0.4 -0.866 25.9-148.7-131.4 167.2 -4.1 2.2 1.9 27 27 A b E >S-B 32 0A 0 5,-3.0 5,-1.5 2,-0.4 -23,-0.2 -0.998 76.2 -0.0-139.5 140.5 -2.9 5.3 0.1 28 28 A F T 5S- 0 0 100 -27,-0.4 2,-0.6 -2,-0.4 -1,-0.1 0.813 123.5 -70.0 55.6 26.9 -4.8 8.3 -1.3 29 29 A G T 5S- 0 0 29 -28,-0.5 -2,-0.4 1,-0.2 -1,-0.0 -0.813 102.1 -22.6 96.3-124.3 -8.0 6.7 0.1 30 30 A R T 5S+ 0 0 178 -2,-0.6 -1,-0.2 -4,-0.1 -2,-0.1 0.596 124.6 71.0-103.0 -11.6 -9.1 3.5 -1.7 31 31 A P T 5S+ 0 0 82 0, 0.0 -16,-0.7 0, 0.0 2,-0.3 0.931 104.3 36.0 -72.8 -44.3 -7.5 4.0 -5.2 32 32 A V E