==== 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 21-JAN-12 2LOC . 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) . 2280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 50.0 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 . 3 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 37.5 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 2 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 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.9 9.0 2.1 0.5 2 2 A X > + 0 0 19 19,-0.1 4,-0.5 20,-0.0 20,-0.3 0.476 360.0 106.8 106.6 3.3 5.3 2.2 1.6 3 3 A E H > + 0 0 81 1,-0.1 4,-3.1 2,-0.1 5,-0.4 0.860 58.1 75.8 -82.7 -37.7 4.0 4.4 -1.3 4 4 A R H > S+ 0 0 123 3,-0.2 4,-3.2 2,-0.2 5,-0.3 0.882 94.8 51.3 -42.8 -50.3 2.2 1.7 -3.4 5 5 A a H > S+ 0 0 2 7,-0.2 4,-1.9 2,-0.2 7,-0.5 0.984 120.2 29.1 -55.3 -75.3 -0.8 1.6 -1.0 6 6 A b H < S+ 0 0 87 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 123.2 54.6 -57.3 -31.1 -1.7 5.3 -0.7 7 7 A K H < S+ 0 0 127 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.964 118.0 31.9 -67.7 -51.0 -0.3 5.9 -4.3 8 8 A N H >< S- 0 0 46 -4,-3.2 3,-3.0 -5,-0.4 2,-0.3 0.588 87.4-172.9 -83.3 -9.0 -2.5 3.2 -5.9 9 9 A G G >X S+ 0 0 36 -4,-1.9 4,-1.9 1,-0.3 3,-0.9 -0.311 81.9 17.7 53.7-111.2 -5.4 3.7 -3.5 10 10 A K G 34 S+ 0 0 199 1,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.815 136.0 46.6 -59.1 -27.6 -7.7 0.9 -4.5 11 11 A R G <4 S+ 0 0 185 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.660 110.6 52.8 -87.9 -17.2 -4.7 -0.8 -6.2 12 12 A G T <4 S+ 0 0 9 -3,-0.9 5,-0.4 -7,-0.5 2,-0.2 0.739 82.3 99.6 -90.3 -24.5 -2.4 -0.2 -3.3 13 13 A c < + 0 0 66 -4,-1.9 2,-0.3 -8,-0.3 11,-0.1 -0.454 56.2 102.4 -64.9 126.4 -4.6 -1.8 -0.6 14 14 A G S > S- 0 0 34 -2,-0.2 4,-4.0 1,-0.1 5,-0.3 -0.966 87.4 -66.7 174.4 173.3 -3.3 -5.4 0.1 15 15 A R H > S+ 0 0 208 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.868 130.6 49.5 -49.4 -39.6 -1.2 -7.6 2.4 16 16 A W H >>>S+ 0 0 96 2,-0.2 4,-4.3 1,-0.2 3,-0.8 0.989 115.6 40.9 -66.6 -55.4 1.9 -5.6 1.5 17 17 A a H 3>5S+ 0 0 1 -5,-0.4 4,-3.2 1,-0.3 -2,-0.2 0.957 108.9 61.8 -56.0 -49.0 0.3 -2.2 2.1 18 18 A R H 3<5S+ 0 0 186 -4,-4.0 -1,-0.3 1,-0.2 -2,-0.2 0.861 121.1 24.6 -44.9 -39.1 -1.4 -3.6 5.2 19 19 A D H <<5S+ 0 0 123 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.837 136.6 30.0 -96.4 -43.3 2.1 -4.2 6.6 20 20 A H H <5S+ 0 0 99 -4,-4.3 2,-0.3 -5,-0.2 -3,-0.2 0.668 112.5 66.4 -92.9 -18.8 4.3 -1.7 4.8 21 21 A S << - 0 0 11 -4,-3.2 -18,-0.1 -5,-0.6 -19,-0.1 -0.783 65.7-146.8-106.5 151.0 1.7 1.1 4.2 22 22 A R S S+ 0 0 249 -20,-0.3 -1,-0.1 -2,-0.3 2,-0.1 0.946 85.9 64.3 -78.5 -48.8 -0.0 3.3 6.8 23 23 A b 0 0 43 1,-0.2 -17,-0.1 -10,-0.0 -2,-0.1 -0.441 360.0 360.0 -73.3 148.8 -3.3 3.6 4.8 24 24 A c 0 0 87 -11,-0.1 -1,-0.2 -2,-0.1 -6,-0.1 -0.148 360.0 360.0 66.9 360.0 -5.3 0.3 4.4