==== 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 1N0D . COMPND 2 MOLECULE: BHP_VWLH, DISULFIDE CYCLIZED BETA-HAIRPIN . 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) . 1156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 30.0 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 . 3 30.0 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 . 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+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 2 A a 0 0 110 0, 0.0 2,-0.3 0, 0.0 9,-0.3 0.000 360.0 360.0 360.0 160.8 7.3 1.9 -9.6 2 3 A V E -A 9 0A 94 7,-2.8 7,-3.2 2,-0.0 2,-0.4 -0.982 360.0-121.0-135.9 146.0 4.1 1.1 -11.6 3 4 A W E -A 8 0A 173 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.702 21.1-178.8 -82.0 136.7 0.4 1.5 -10.9 4 5 A E - 0 0 147 3,-2.4 2,-0.4 -2,-0.4 4,-0.1 -0.038 67.6 -66.9-123.3 24.5 -1.7 -1.8 -11.1 5 6 A G S S+ 0 0 58 2,-0.2 -2,-0.0 1,-0.0 0, 0.0 -0.967 115.8 1.1 131.3-112.2 -5.1 -0.1 -10.3 6 7 A N S S+ 0 0 157 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.0 0.332 126.8 56.4 -90.2 0.3 -5.8 1.5 -6.9 7 8 A K S S- 0 0 114 -5,-0.0 -3,-2.4 2,-0.0 2,-0.4 -0.958 74.8-128.8-141.7 149.7 -2.2 0.7 -5.6 8 9 A L E -A 3 0A 78 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.854 15.3-156.2-103.6 132.1 1.4 1.3 -6.6 9 10 A H E A 2 0A 90 -7,-3.2 -7,-2.8 -2,-0.4 -2,-0.0 -0.955 360.0 360.0-111.8 126.7 4.0 -1.5 -6.9 10 11 A a 0 0 135 -2,-0.5 -2,-0.0 -9,-0.3 -7,-0.0 -0.936 360.0 360.0-111.4 360.0 7.7 -0.6 -6.6