==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 11-OCT-02 1N0A . COMPND 2 MOLECULE: BHPW_PDG, BETA-HAIRPIN PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.BLANDL,A.G.COCHRAN,N.J.SKELTON . 11 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 45.5 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 . 3 27.3 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 9.1 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 . 1 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 9.1 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+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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 121 0, 0.0 2,-0.3 0, 0.0 10,-0.2 0.000 360.0 360.0 360.0 149.7 7.8 2.1 -9.4 2 2 A T E -A 10 0A 82 8,-2.2 8,-2.2 6,-0.0 2,-0.4 -0.933 360.0-111.6-140.4 161.4 4.4 2.5 -11.1 3 3 A W E -A 9 0A 192 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.854 30.3-141.6 -96.3 132.1 0.7 3.0 -10.1 4 4 A E > - 0 0 72 4,-2.8 3,-1.5 -2,-0.4 0, 0.0 -0.612 19.3-121.1 -89.9 151.6 -1.7 0.2 -10.9 5 5 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.833 115.2 62.5 -62.6 -32.4 -5.3 0.8 -12.1 6 6 A D T 3 S- 0 0 116 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.687 124.0-107.6 -62.9 -20.8 -6.5 -1.1 -9.1 7 7 A G S < S+ 0 0 44 -3,-1.5 -1,-0.1 1,-0.4 2,-0.0 0.059 75.6 129.8 119.1 -22.0 -4.9 1.7 -7.0 8 8 A K - 0 0 156 -5,-0.1 -4,-2.8 1,-0.1 2,-0.8 -0.330 57.2-129.0 -69.7 146.9 -1.8 -0.0 -5.5 9 9 A L E -A 3 0A 92 -6,-0.2 2,-0.2 -8,-0.0 -6,-0.2 -0.874 33.8-169.0 -93.7 106.6 1.7 1.5 -5.8 10 10 A T E A 2 0A 60 -8,-2.2 -8,-2.2 -2,-0.8 0, 0.0 -0.679 360.0 360.0 -99.8 155.0 3.9 -1.4 -7.2 11 11 A a 0 0 127 -10,-0.2 -2,-0.0 -2,-0.2 -8,-0.0 -0.974 360.0 360.0-140.0 360.0 7.7 -1.5 -7.4