==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACETYLCHOLINE RECEPTOR ANTAGONIST 18-MAY-97 1AKG . COMPND 2 MOLECULE: ALPHA-CONOTOXIN PNIB; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS PENNACEUS; . AUTHOR S.-H.HU,J.L.MARTIN . 16 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 62.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 31.2 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 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 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 97 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-172.7 1.3 0.6 0.3 2 2 A a G > + 0 0 24 1,-0.3 3,-1.6 2,-0.2 7,-0.7 0.828 360.0 57.4 -49.6 -46.0 2.8 3.8 1.7 3 3 A b G 3 S+ 0 0 70 1,-0.3 -1,-0.3 5,-0.1 13,-0.0 0.637 106.5 48.4 -70.0 -11.5 -0.4 5.1 3.3 4 4 A S G < S+ 0 0 111 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.331 98.3 78.2-105.1 4.2 -0.9 2.0 5.5 5 5 A L S X> S- 0 0 100 -3,-1.6 4,-2.4 -4,-0.3 3,-1.1 -0.918 74.7-148.7-115.5 103.6 2.8 2.1 6.7 6 6 A P H 3> S+ 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.819 94.0 50.9 -39.4 -52.7 3.2 4.7 9.4 7 7 A P H 3> S+ 0 0 87 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.879 115.3 43.9 -58.5 -37.7 6.9 5.6 8.5 8 8 A a H <> S+ 0 0 35 -3,-1.1 4,-1.0 -6,-0.2 3,-0.3 0.930 111.8 51.1 -73.6 -44.4 6.0 6.1 4.9 9 9 A A H >< S+ 0 0 30 -4,-2.4 3,-0.5 -7,-0.7 7,-0.2 0.884 107.2 56.0 -59.2 -38.4 2.8 8.1 5.5 10 10 A L H 3< S+ 0 0 147 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.874 112.0 41.5 -61.5 -39.4 4.8 10.4 7.8 11 11 A S H 3< S+ 0 0 95 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.519 120.3 43.3 -87.1 -8.1 7.3 11.2 5.0 12 12 A N