==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-NOV-06 2NS3 . COMPND 2 MOLECULE: ALPHA-CONOTOXIN BUIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.H.JIN,H.BRANDSTAETTER,S.T.NEVIN,C.C.TAN,R.J.CLARK, . 13 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 30.8 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 . 2 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 7.7 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+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 99 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-138.3 -6.8 1.0 -3.6 2 2 A a > + 0 0 87 11,-1.7 2,-1.9 1,-0.1 3,-0.6 0.868 360.0 21.9 -89.3 -87.1 -3.5 0.4 -5.3 3 3 A b T 3 S+ 0 0 39 7,-0.3 10,-0.2 1,-0.2 5,-0.2 -0.202 83.3 125.8 -79.1 49.5 -0.7 -0.5 -2.8 4 4 A S T 3 + 0 0 64 -2,-1.9 -1,-0.2 -3,-0.1 7,-0.1 0.696 61.6 69.1 -78.2 -20.1 -3.4 -1.7 -0.3 5 5 A T S < S- 0 0 110 -3,-0.6 3,-0.2 -4,-0.1 -1,-0.0 -0.877 92.6 -86.2-104.3 128.4 -1.6 -5.0 -0.2 6 6 A P S S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.194 95.0 44.6 -69.9 165.0 1.9 -5.2 1.5 7 7 A P S S+ 0 0 134 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.301 80.6 126.1-100.6 79.9 4.8 -5.0 1.3 8 8 A b - 0 0 46 -3,-0.2 3,-0.4 -5,-0.2 0, 0.0 -0.471 63.2-125.8 -88.7 163.2 4.5 -1.8 -0.7 9 9 A A S S+ 0 0 102 1,-0.3 2,-0.5 -2,-0.1 3,-0.1 0.800 106.8 40.2 -76.0 -31.8 6.1 1.5 0.2 10 10 A V + 0 0 86 1,-0.2 3,-0.3 3,-0.0 -7,-0.3 -0.700 61.6 167.1-121.9 78.9 2.9 3.4 0.1 11 11 A L S S+ 0 0 97 -2,-0.5 2,-1.5 -3,-0.4 -1,-0.2 0.818 74.5 69.0 -59.6 -30.5 0.2 1.2 1.8 12 12 A Y 0 0 223 -3,-0.1 -1,-0.3 -11,-0.1 -8,-0.1 -0.334 360.0 360.0 -86.6 54.8 -2.0 4.2 1.9 13 13 A a 0 0 68 -2,-1.5 -11,-1.7 -3,-0.3 -9,-0.1 -0.847 360.0 360.0 -99.7 360.0 -2.4 4.3 -1.8