==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-MAY-99 1CNL . COMPND 2 MOLECULE: PROTEIN (ALPHA-CONOTOXIN IMI); . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.GEHRMANN,N.L.DALY,D.J.CRAIK . 12 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 41.7 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 8.3 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 G 0 0 88 0, 0.0 4,-0.4 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 179.9 -2.5 -5.7 1.8 2 2 A a > + 0 0 65 1,-0.2 3,-1.7 2,-0.2 6,-0.7 0.986 360.0 37.7 -72.7 -60.5 -1.0 -2.5 3.3 3 3 A b T 3 S+ 0 0 14 1,-0.3 -1,-0.2 5,-0.2 8,-0.1 0.650 96.8 83.3 -65.7 -13.9 -0.5 -0.6 0.0 4 4 A S T 3 S+ 0 0 88 2,-0.1 -1,-0.3 8,-0.1 -2,-0.2 0.836 99.6 43.8 -55.6 -29.3 -3.8 -2.2 -1.1 5 5 A D S X> S- 0 0 52 -3,-1.7 3,-1.6 -4,-0.4 4,-1.0 -0.909 101.7-120.9-113.0 139.4 -5.0 0.9 0.9 6 6 A P T 34 S+ 0 0 118 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.516 96.8 94.7 -67.0 -1.3 -3.1 4.1 0.2 7 7 A R T 34 S+ 0 0 188 -5,-0.3 -4,-0.2 1,-0.1 -5,-0.1 0.839 106.5 18.3 -55.6 -32.9 -2.2 4.3 3.9 8 8 A a T <4 S+ 0 0 49 -3,-1.6 -5,-0.2 -6,-0.7 -1,-0.1 0.841 80.1 175.0 -99.1 -61.4 1.0 2.5 2.8 9 9 A A < + 0 0 62 -4,-1.0 2,-0.8 -7,-0.2 -6,-0.1 0.791 17.0 152.3 53.3 38.1 1.1 3.2 -1.0 10 10 A W S S- 0 0 154 1,-0.1 -1,-0.1 2,-0.0 -7,-0.1 -0.212 79.5 -89.3 -90.1 46.8 4.6 1.5 -1.5 11 11 A R 0 0 235 -2,-0.8 -1,-0.1 -8,-0.1 -2,-0.0 0.445 360.0 360.0 62.8 0.7 3.7 0.7 -5.1 12 12 A b 0 0 94 0, 0.0 -8,-0.1 0, 0.0 -9,-0.1 -0.299 360.0 360.0 54.6 360.0 2.2 -2.6 -3.8