==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 18-OCT-05 2BC8 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.J.ARMISHAW . 12 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 58.3 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 . 3 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 25.0 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 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 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 0 102 0, 0.0 2,-0.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -37.8 -9.2 2.0 -0.0 2 2 A X + 0 0 74 1,-0.2 3,-0.3 6,-0.2 9,-0.2 -0.416 360.0 125.2 -96.5 52.3 -6.4 0.9 -2.3 3 3 A X + 0 0 62 -2,-0.8 -1,-0.2 1,-0.2 6,-0.2 0.289 40.6 95.4 -95.2 9.0 -5.0 -1.3 0.5 4 4 A S S S+ 0 0 121 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.029 77.9 62.7 -89.6 28.3 -5.0 -4.4 -1.8 5 5 A D S >> S- 0 0 44 -3,-0.3 3,-2.4 1,-0.1 4,-2.4 -0.986 82.0-123.9-152.4 140.4 -1.3 -4.0 -2.8 6 6 A P H 3> S+ 0 0 95 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.789 117.9 43.0 -53.5 -29.5 2.0 -4.0 -0.9 7 7 A R H 34 S+ 0 0 146 1,-0.1 -3,-0.1 2,-0.1 -4,-0.0 0.162 119.8 42.7-102.4 16.2 2.8 -0.6 -2.3 8 8 A X H X> S+ 0 0 4 -3,-2.4 3,-1.5 -5,-0.1 4,-0.6 0.415 93.7 77.7-133.7 -14.6 -0.7 0.7 -1.7 9 9 A A H >< S+ 0 0 41 -4,-2.4 3,-1.1 1,-0.3 -2,-0.1 0.949 100.1 45.4 -63.2 -45.4 -1.2 -0.8 1.8 10 10 A W T 3< S+ 0 0 185 -4,-0.5 -1,-0.3 1,-0.2 -7,-0.1 -0.061 113.2 54.2 -88.0 35.9 0.9 2.0 3.1 11 11 A R T <4 0 0 164 -3,-1.5 -1,-0.2 -9,-0.2 -2,-0.2 0.321 360.0 360.0-140.8 -10.5 -1.1 4.3 0.8 12 12 A X << 0 0 88 -3,-1.1 -3,-0.1 -4,-0.6 -9,-0.0 0.051 360.0 360.0 -87.1 360.0 -4.6 3.4 2.0