==== 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 23-NOV-99 1DG2 . COMPND 2 MOLECULE: A-CONOTOXIN AUIB; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS AULICUS; . AUTHOR J.-H.CHO,K.H.MOK,B.M.OLIVERA,J.M.MCINTOSH,K.-H.PARK,K.-H.HAN . 15 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 33.3 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 . 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+3), SAME NUMBER PER 100 RESIDUES . 5 33.3 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 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 0 105 0, 0.0 4,-0.9 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 98.4 17.7 6.9 -15.4 2 2 A a T 4 + 0 0 40 2,-0.2 7,-0.3 1,-0.2 3,-0.3 0.929 360.0 48.6 -75.6 -49.3 17.4 10.2 -13.4 3 3 A b T 4 S+ 0 0 72 1,-0.2 -1,-0.2 5,-0.1 6,-0.0 0.741 115.7 45.2 -65.6 -24.8 13.9 9.6 -11.7 4 4 A S T 4 S+ 0 0 119 5,-0.0 -1,-0.2 1,-0.0 -2,-0.2 0.691 98.9 77.8 -88.4 -21.1 15.0 6.1 -10.4 5 5 A Y S X S- 0 0 149 -4,-0.9 4,-2.0 -3,-0.3 3,-0.2 -0.815 80.7-137.5 -89.5 119.6 18.6 7.2 -9.1 6 6 A P H > S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.801 95.8 43.9 -50.4 -47.8 18.3 9.0 -5.6 7 7 A P H > S+ 0 0 70 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.898 115.4 48.4 -67.5 -39.6 20.8 12.1 -6.1 8 8 A a H > S+ 0 0 34 -3,-0.2 4,-1.8 2,-0.2 7,-0.2 0.848 111.2 51.8 -65.6 -35.1 19.5 12.9 -9.7 9 9 A F H < S+ 0 0 111 -4,-2.0 -1,-0.2 -7,-0.3 -6,-0.1 0.938 110.9 48.1 -58.8 -50.8 15.9 12.8 -8.4 10 10 A A H < S+ 0 0 89 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.761 117.9 39.9 -61.3 -30.3 16.8 15.3 -5.5 11 11 A T H < S+ 0 0 110 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.838 100.9 72.6 -89.1 -39.1 18.6 17.8 -7.9 12 12 A N < - 0 0 78 -4,-1.8 3,-0.3 -5,-0.1 -1,-0.1 -0.709 68.0-146.0 -89.4 124.4 16.4 17.9 -11.1 13 13 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.798 96.5 56.6 -54.8 -35.9 12.9 19.8 -10.9 14 14 A D 0 0 161 1,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.913 360.0 360.0 -63.7 -46.3 11.1 17.4 -13.4 15 15 A b 0 0 39 -3,-0.3 -6,-0.1 -7,-0.2 -5,-0.1 0.985 360.0 360.0 -70.0 360.0 11.9 14.2 -11.3