==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-OCT-03 1R9I . COMPND 2 MOLECULE: MU-CONOTOXIN PIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS; . AUTHOR K.J.NIELSEN,M.WATSON,D.J.ADAMS,A.K.HAMMARSTROM,P.W.GAGE, . 22 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 40.9 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 . 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 . 1 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.5 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 X 0 0 170 0, 0.0 2,-0.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-166.6 -6.4 3.2 2.7 2 2 A R > + 0 0 194 4,-0.1 5,-1.4 3,-0.1 8,-0.2 -0.251 360.0 138.6 -86.6 46.2 -3.1 3.6 4.6 3 3 A L T >5 - 0 0 81 -2,-0.9 4,-2.4 3,-0.2 7,-0.3 0.706 64.5 -5.2 -60.8-132.1 -1.5 1.1 2.2 4 4 A a T 45S+ 0 0 11 1,-0.3 7,-0.3 6,-0.3 6,-0.1 0.773 147.6 23.1 -32.8 -54.2 2.0 1.3 0.8 5 5 A b T 45S+ 0 0 60 5,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.657 119.0 62.3 -95.5 -18.1 2.8 4.8 2.2 6 6 A G T 45S+ 0 0 48 -3,-0.3 2,-0.3 1,-0.3 -3,-0.2 0.988 120.8 4.3 -69.2 -59.0 0.3 4.7 5.1 7 7 A F S >X4 S+ 0 0 128 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.854 95.1 45.8 -63.3 -34.5 3.3 -3.6 5.7 10 10 A S G X4 S+ 0 0 24 -3,-1.6 3,-2.4 -7,-0.3 6,-0.3 0.776 93.4 79.5 -79.9 -24.8 2.3 -2.7 2.2 11 11 A C G 3< S+ 0 0 28 -4,-0.5 -1,-0.2 -7,-0.3 -2,-0.2 0.617 77.5 73.3 -56.5 -12.7 5.9 -1.5 1.3 12 12 A R G < S+ 0 0 203 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.1 0.555 81.0 97.2 -78.7 -6.8 6.9 -5.1 0.8 13 13 A S S <> S- 0 0 58 -3,-2.4 4,-2.0 1,-0.1 -3,-0.0 -0.473 83.9-123.6 -82.1 153.9 4.9 -5.1 -2.4 14 14 A R T 4 S+ 0 0 171 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.909 114.5 44.0 -61.1 -45.1 6.6 -4.5 -5.8 15 15 A Q T 4 S+ 0 0 117 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.820 115.5 48.2 -71.2 -34.3 4.3 -1.5 -6.5 16 16 A a T >4 S+ 0 0 6 -6,-0.3 3,-1.8 1,-0.2 6,-0.2 0.777 90.3 81.8 -79.6 -28.1 4.7 -0.1 -3.0 17 17 A K T 3< S+ 0 0 96 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.837 88.2 52.7 -42.6 -48.7 8.5 -0.3 -2.8 18 18 A X T 3 S+ 0 0 99 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.182 84.1 117.3 -86.1 18.4 9.3 2.9 -4.8 19 19 A H S < S- 0 0 49 -3,-1.8 3,-0.4 1,-0.1 -3,-0.0 -0.373 77.9-112.7 -82.0 164.0 7.0 5.2 -2.6 20 20 A R S S+ 0 0 242 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.800 121.5 46.5 -64.7 -29.9 8.3 8.2 -0.6 21 21 A b 0 0 79 1,-0.2 -1,-0.2 -5,-0.1 -10,-0.1 0.645 360.0 360.0 -85.7 -17.1 7.3 6.3 2.7 22 22 A X 0 0 71 -3,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 0.246 360.0 360.0-110.6 360.0 9.0 3.1 1.3