==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 22-JUN-11 2LER . COMPND 2 MOLECULE: CONOTOXIN PC16A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.DYUBANKOVA,E.LESCRINIER,A.VAN DER HAEGEN,S.PEIGNEUR,J.TYTG . 11 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1310.0 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 . 0 0.0 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 . 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 . 2 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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+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 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 . 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 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 S 0 0 167 0, 0.0 10,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 168.2 13.6 24.7 13.9 2 2 A a - 0 0 59 8,-0.2 2,-0.9 1,-0.1 3,-0.1 -0.196 360.0 -63.0 -77.7 177.8 14.6 21.4 12.2 3 3 A S > + 0 0 48 1,-0.2 4,-1.5 2,-0.1 7,-0.2 -0.523 53.9 168.9 -71.8 102.7 14.1 18.0 13.7 4 4 A b T 4 S+ 0 0 49 -2,-0.9 -1,-0.2 2,-0.2 6,-0.1 0.795 75.6 63.4 -86.5 -29.8 16.3 17.9 16.8 5 5 A K T 4 S+ 0 0 207 2,-0.2 3,-0.2 -3,-0.1 -1,-0.2 0.897 119.9 26.1 -59.3 -41.6 14.7 14.7 18.0 6 6 A R T 4 S+ 0 0 194 1,-0.2 2,-1.3 2,-0.0 -2,-0.2 0.916 136.2 25.4 -75.3 -85.6 16.2 13.1 14.8 7 7 A N >< + 0 0 103 -4,-1.5 3,-2.1 1,-0.2 4,-0.3 -0.645 64.1 176.9 -90.3 88.2 19.2 15.2 13.9 8 8 A F G > S+ 0 0 147 -2,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.743 78.7 64.4 -65.6 -18.8 20.3 16.8 17.1 9 9 A L G 3 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.2 -5,-0.1 0.439 86.6 76.4 -79.4 1.0 23.3 18.4 15.3 10 10 A a G < 0 0 63 -3,-2.1 -1,-0.2 -7,-0.2 -2,-0.2 0.756 360.0 360.0 -81.6 -23.5 20.8 20.4 13.3 11 11 A b < 0 0 116 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.962 360.0 360.0 -97.5 360.0 20.0 22.9 16.0