==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-JAN-12 2LO9 . COMPND 2 MOLECULE: MU-CONOTOXIN BUIIIB; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.KUANG . 24 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 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 . 1 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.2 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 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 V 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.5 9.4 0.6 1.1 2 2 A G >> + 0 0 7 19,-0.1 3,-3.3 20,-0.0 4,-0.7 0.141 360.0 116.9 136.1 -20.1 5.7 0.9 0.6 3 3 A E H 3> + 0 0 142 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.847 69.9 70.2 -45.8 -36.2 5.3 3.9 -1.7 4 4 A R H 34 S+ 0 0 113 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.766 96.6 54.5 -56.7 -22.4 3.9 1.5 -4.4 5 5 A a H X> S+ 0 0 0 -3,-3.3 4,-3.0 2,-0.2 3,-2.5 0.984 110.0 38.6 -78.2 -65.6 0.8 1.2 -2.1 6 6 A b H 3< S+ 0 0 80 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.1 0.900 113.9 59.4 -52.0 -37.4 -0.3 4.9 -1.7 7 7 A K T 3< S+ 0 0 158 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.739 121.4 25.6 -63.0 -20.4 0.7 5.4 -5.3 8 8 A N T X4 S- 0 0 46 -3,-2.5 3,-2.5 -4,-0.3 -2,-0.2 0.535 85.5-169.6-119.2 -13.8 -1.9 2.7 -6.2 9 9 A G G >X S+ 0 0 31 -4,-3.0 3,-1.9 1,-0.3 4,-1.2 -0.374 84.5 11.0 58.3-121.0 -4.4 2.9 -3.3 10 10 A K G 34 S+ 0 0 190 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.829 130.4 60.3 -56.7 -28.6 -6.6 -0.2 -3.7 11 11 A R G <4 S+ 0 0 185 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.738 106.1 47.0 -71.6 -20.6 -4.1 -1.4 -6.4 12 12 A G T <4>S+ 0 0 1 -3,-1.9 5,-0.5 -7,-0.4 -1,-0.2 0.659 83.1 115.0 -93.8 -18.7 -1.4 -1.4 -3.7 13 13 A c T <5 + 0 0 67 -4,-1.2 2,-0.2 -3,-0.2 3,-0.1 -0.282 43.2 104.0 -55.0 131.3 -3.5 -3.3 -1.1 14 14 A G T >5S- 0 0 37 1,-0.1 4,-4.0 10,-0.1 5,-0.3 -0.876 88.5 -75.0 166.4 163.2 -1.9 -6.7 -0.4 15 15 A R H >5S+ 0 0 204 -2,-0.2 4,-2.8 2,-0.2 5,-0.4 0.900 129.6 56.5 -47.5 -41.3 0.3 -8.4 2.3 16 16 A W H >5S+ 0 0 95 2,-0.2 4,-4.0 1,-0.2 5,-0.5 0.987 114.2 36.4 -55.0 -59.9 3.3 -6.4 1.0 17 17 A a H >< - 0 0 11 -4,-3.4 2,-2.3 -5,-0.5 3,-0.7 -0.887 54.3-159.9-138.7 116.2 2.8 0.2 3.7 22 22 A R T 3 S+ 0 0 248 -2,-0.4 -4,-0.1 1,-0.2 -5,-0.0 -0.381 78.3 89.7 -83.2 61.6 0.5 1.9 6.3 23 23 A b T 3 0 0 55 -2,-2.3 -1,-0.2 -6,-0.2 -10,-0.1 0.300 360.0 360.0-138.6 5.5 -1.7 3.0 3.4 24 24 A c < 0 0 80 -3,-0.7 -1,-0.2 -7,-0.2 -10,-0.1 -0.926 360.0 360.0-131.0 360.0 -4.3 0.1 3.0