==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 22-SEP-06 2IFZ . COMPND 2 MOLECULE: ALPHA-CONOTOXIN IMI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.M.KINI,T.S.KANG . 12 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1332.0 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 . 3 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 8.3 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 0 118 0, 0.0 2,-0.7 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0-117.4 10.7 15.8 -4.5 2 2 A a + 0 0 95 9,-0.1 2,-0.3 2,-0.0 7,-0.0 -0.724 360.0 173.1-109.7 82.9 13.4 17.3 -2.1 3 3 A b - 0 0 42 -2,-0.7 2,-1.8 2,-0.1 9,-0.9 -0.680 38.4-124.4 -84.4 140.9 14.7 14.5 0.4 4 4 A S S S+ 0 0 121 -2,-0.3 2,-0.3 7,-0.1 -1,-0.1 -0.366 81.4 86.2 -79.8 63.3 17.7 15.3 2.8 5 5 A D S > S- 0 0 92 -2,-1.8 4,-0.8 4,-0.3 7,-0.6 -0.988 80.9-111.7-159.3 156.1 19.8 12.2 1.4 6 6 A K T 4 S+ 0 0 123 -2,-0.3 -1,-0.1 5,-0.2 6,-0.0 0.933 103.6 29.5 -61.7 -59.3 22.3 11.4 -1.4 7 7 A R T 4 S+ 0 0 224 1,-0.1 3,-0.3 2,-0.1 -1,-0.1 0.845 112.4 58.6 -85.3 -33.7 20.5 8.9 -3.9 8 8 A b T 4 S+ 0 0 82 1,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.939 128.4 0.3 -56.5 -49.8 16.7 9.9 -3.6 9 9 A A S >< S- 0 0 11 -4,-0.8 3,-1.8 -6,-0.2 2,-0.6 -0.692 99.2 -90.5-148.1 89.9 17.2 13.6 -4.7 10 10 A W T 3 S- 0 0 202 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.0 -0.180 91.3 -53.6 50.3 -92.2 20.8 14.9 -5.6 11 11 A R T 3 0 0 178 -2,-0.6 -1,-0.2 -3,-0.1 -5,-0.2 -0.256 360.0 360.0-155.8 77.9 21.6 16.0 -2.0 12 12 A a < 0 0 44 -3,-1.8 -7,-0.1 -9,-0.9 -2,-0.1 -0.529 360.0 360.0 -89.7 360.0 18.5 18.3 -1.4