==== 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 1N09 . COMPND 2 MOLECULE: BHPW, DISULFIDE CYCLIZED BETA-HAIRPIN PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.J.RUSSELL,T.BLANDL,N.J.SKELTON,A.G.COCHRAN . 10 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 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 . 4 40.0 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 10.0 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 10.0 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+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 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 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 2 A a 0 0 127 0, 0.0 9,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 131.6 7.5 2.1 -9.5 2 3 A T E -A 9 0A 100 7,-3.0 7,-3.1 5,-0.0 2,-0.3 -0.811 360.0 -91.8-139.2 174.5 4.2 1.8 -11.4 3 4 A W E -A 8 0A 189 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.769 22.4-165.3-101.4 142.6 0.4 1.6 -10.7 4 5 A E E > S-A 7 0A 122 3,-3.2 2,-2.1 -2,-0.3 3,-2.0 -0.934 71.5 -54.1-128.6 98.3 -1.7 -1.7 -10.2 5 6 A G T 3 S- 0 0 76 -2,-0.5 -2,-0.1 1,-0.3 3,-0.0 -0.475 125.6 -25.9 64.9 -78.9 -5.5 -1.0 -10.5 6 7 A N T 3 S+ 0 0 144 -2,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.035 122.9 88.9-149.5 17.2 -5.3 1.8 -7.8 7 8 A K E < S-A 4 0A 129 -3,-2.0 -3,-3.2 2,-0.0 2,-0.4 -0.934 74.3-119.7-112.4 150.0 -2.2 0.7 -5.7 8 9 A L E -A 3 0A 91 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.774 32.7-175.5 -81.5 131.1 1.5 1.7 -6.2 9 10 A T E A 2 0A 69 -7,-3.1 -7,-3.0 -2,-0.4 -2,-0.0 -0.992 360.0 360.0-129.8 138.1 3.8 -1.4 -6.8 10 11 A a 0 0 121 -2,-0.4 -2,-0.0 -9,-0.3 -7,-0.0 -0.855 360.0 360.0-119.1 360.0 7.6 -1.3 -7.2