==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 05-OCT-01 1K43 . COMPND 2 MOLECULE: MBH12; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.T.PASTOR,M.LOPEZ DE LA PAZ,E.LACROIX,L.SERRANO,E.PEREZ- . 14 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 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 28.6 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 7.1 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-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 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 7.1 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 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 1 A R 0 0 239 0, 0.0 2,-2.4 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 78.2 2.1 0.0 -1.2 2 2 A G - 0 0 47 10,-0.1 2,-0.3 2,-0.0 12,-0.2 -0.425 360.0 -11.1 66.8 -79.9 -0.5 0.9 -3.9 3 3 A K - 0 0 121 -2,-2.4 2,-0.4 11,-0.2 9,-0.2 -0.971 60.6-165.4-154.6 136.8 -2.6 -2.2 -3.5 4 4 A W E +A 11 0A 90 7,-3.9 7,-3.6 -2,-0.3 2,-0.4 -0.992 10.3 177.2-128.0 131.8 -2.0 -5.5 -1.6 5 5 A T E +A 10 0A 80 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.999 13.9 138.5-138.4 132.8 -4.1 -8.6 -2.1 6 6 A Y E > +A 9 0A 140 3,-1.3 3,-1.4 -2,-0.4 -2,-0.0 -0.888 64.3 20.1-172.0 139.7 -3.8 -12.0 -0.5 7 7 A N T 3 S- 0 0 149 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.474 126.9 -68.4 76.4 1.9 -5.9 -14.8 1.0 8 8 A G T 3 S+ 0 0 71 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.283 110.0 121.0 98.1 -7.4 -8.7 -13.2 -1.0 9 9 A I E < -A 6 0A 77 -3,-1.4 -3,-1.3 2,-0.0 2,-0.3 -0.817 53.9-150.3 -94.4 107.6 -8.7 -10.1 1.2 10 10 A T E -A 5 0A 75 -2,-0.8 2,-0.4 -5,-0.2 -5,-0.3 -0.575 10.7-167.9 -79.3 137.8 -7.9 -7.0 -1.0 11 11 A Y E -A 4 0A 76 -7,-3.6 -7,-3.9 -2,-0.3 2,-1.1 -0.912 11.4-175.3-132.6 105.4 -6.1 -4.2 0.7 12 12 A E + 0 0 142 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.571 17.5 162.7 -98.1 68.2 -5.9 -0.8 -1.1 13 13 A G 0 0 44 -2,-1.1 -1,-0.2 1,-0.1 -10,-0.1 0.956 360.0 360.0 -47.8 -67.1 -3.7 1.0 1.4 14 14 A R 0 0 247 -12,-0.2 -11,-0.2 -3,-0.2 -1,-0.1 0.470 360.0 360.0-138.0 360.0 -2.7 3.7 -1.0