==== 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 10-OCT-01 1J4M . 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) . 1597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 42.9 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 . 2 14.3 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 0 222 0, 0.0 3,-0.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 128.5 -6.0 -5.7 -2.3 2 2 A G + 0 0 8 1,-0.2 2,-0.3 9,-0.1 0, 0.0 0.588 360.0 76.3 105.2 45.9 -3.5 -5.8 -1.2 3 3 A K + 0 0 133 9,-0.2 2,-0.4 11,-0.1 9,-0.3 -0.973 36.4 173.4-162.5 135.3 -1.5 -3.3 -2.0 4 4 A W E -A 11 0A 139 7,-3.0 7,-3.0 -2,-0.3 2,-0.5 -0.997 8.1-171.9-130.9 136.6 -1.2 0.3 -0.9 5 5 A T E +A 10 0A 88 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.985 10.2 166.0-135.8 124.4 1.4 2.7 -1.8 6 6 A Y E > -A 9 0A 156 3,-2.2 3,-1.7 -2,-0.5 -2,-0.0 -0.965 69.8 -1.7-146.7 131.6 1.9 6.1 -0.3 7 7 A N T 3 S- 0 0 146 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.639 131.0 -59.3 65.4 15.8 4.7 8.5 -0.5 8 8 A G T 3 S+ 0 0 69 1,-0.3 2,-0.8 0, 0.0 -1,-0.3 0.390 110.1 127.7 92.0 1.7 6.4 5.8 -2.5 9 9 A I E < -A 6 0A 78 -3,-1.7 -3,-2.2 2,-0.0 2,-0.3 -0.809 50.7-148.2 -97.5 112.4 6.1 3.4 0.4 10 10 A T E -A 5 0A 85 -2,-0.8 2,-0.4 -5,-0.2 -5,-0.3 -0.576 16.0-175.7 -81.2 136.6 4.5 0.2 -0.8 11 11 A Y E -A 4 0A 103 -7,-3.0 -7,-3.0 -2,-0.3 2,-1.5 -0.903 14.3-165.6-138.9 106.9 2.4 -1.7 1.6 12 12 A E + 0 0 125 -2,-0.4 -9,-0.2 -9,-0.3 -2,-0.0 -0.613 14.2 176.8 -97.8 83.9 0.9 -5.0 0.9 13 13 A G 0 0 48 -2,-1.5 -1,-0.2 1,-0.2 -10,-0.1 0.968 360.0 360.0 -45.3 -79.7 -1.5 -5.3 3.6 14 14 A R 0 0 197 -3,-0.2 -1,-0.2 0, 0.0 -11,-0.1 0.620 360.0 360.0 -98.7 360.0 -3.0 -8.4 2.6