==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 12-DEC-92 1TCG . COMPND 2 MOLECULE: MU-CONOTOXIN GIIIA; . AUTHOR D.KOHDA,J.-M.LANCELIN,F.INAGAKI,K.WAKAMATSU . 22 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 40.9 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 . 1 4.5 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 . 1 4.5 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 9.1 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 R 0 0 238 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 124.3 -0.3 0.4 -1.4 2 2 A D - 0 0 90 3,-0.8 7,-0.3 5,-0.7 8,-0.1 -0.941 360.0 -86.6-147.4 169.8 2.0 -0.6 -4.3 3 3 A a S S+ 0 0 11 -2,-0.3 6,-1.2 1,-0.2 7,-0.3 0.780 126.4 2.8 -49.4 -29.2 2.2 -0.8 -8.0 4 4 A b S S+ 0 0 37 4,-0.3 4,-0.3 5,-0.2 2,-0.3 0.431 101.7 107.9-138.7 -4.1 0.5 -4.2 -7.8 5 5 A T S S- 0 0 73 2,-0.2 -3,-0.8 1,-0.1 2,-0.2 -0.612 89.0 -58.2 -79.0 140.2 -0.3 -5.0 -4.2 6 6 A X S S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.393 142.0 40.3 -59.7 122.2 -4.1 -4.8 -3.5 7 7 A X S S- 0 0 112 -2,-0.2 -5,-0.7 1,-0.2 -2,-0.2 0.344 106.8-144.8 -73.2 125.6 -5.2 -2.1 -4.1 8 8 A K - 0 0 153 -4,-0.3 -4,-0.3 -7,-0.1 -5,-0.2 -0.053 15.4-167.8 -51.7 162.6 -2.9 -2.4 -7.2 9 9 A K + 0 0 105 -6,-1.2 3,-0.2 -7,-0.3 -5,-0.2 -0.130 38.4 132.5-151.4 49.1 -1.4 0.9 -8.3 10 10 A c + 0 0 32 -7,-0.3 5,-0.2 1,-0.2 -7,-0.1 0.368 47.6 102.6 -83.4 8.9 0.2 0.6 -11.7 11 11 A K S S+ 0 0 189 -8,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.077 70.8 80.5 -78.8 29.1 -1.5 3.8 -12.7 12 12 A D S > S- 0 0 75 -3,-0.2 3,-1.2 3,-0.1 -3,-0.0 -0.972 79.7-131.3-136.2 151.3 1.8 5.5 -12.3 13 13 A R G >> S+ 0 0 204 -2,-0.3 3,-0.9 1,-0.3 4,-0.7 0.841 111.3 54.1 -68.6 -32.3 5.0 6.0 -14.3 14 14 A Q G 34 S+ 0 0 171 1,-0.2 -1,-0.3 2,-0.1 -11,-0.1 0.101 116.6 39.2 -88.7 24.9 7.1 5.0 -11.3 15 15 A a G <4 S+ 0 0 23 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.087 101.6 72.1-157.0 22.2 5.1 1.8 -11.0 16 16 A K T <4 S+ 0 0 112 -3,-0.9 6,-1.5 5,-0.1 2,-0.8 0.746 77.5 68.8-111.4 -40.4 4.6 0.8 -14.6 17 17 A X S < S+ 0 0 120 -4,-0.7 2,-0.1 4,-0.1 -1,-0.1 0.098 84.9 111.8 -71.1 29.9 8.0 -0.5 -15.9 18 18 A Q S > S- 0 0 80 -2,-0.8 4,-0.6 -3,-0.1 -3,-0.1 -0.315 81.4-117.8 -95.1-178.7 7.4 -3.4 -13.5 19 19 A R T 4 S+ 0 0 252 3,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.621 114.3 53.1 -93.5 -16.9 6.8 -7.0 -14.2 20 20 A b T 4 S+ 0 0 65 2,-0.1 -1,-0.1 0, 0.0 -10,-0.1 0.625 120.7 30.2 -91.9 -15.2 3.4 -6.9 -12.6 21 21 A c T 4 0 0 35 -5,-0.2 -2,-0.1 -12,-0.1 -4,-0.1 0.806 360.0 360.0-106.0 -72.1 2.2 -3.9 -14.6 22 22 A A < 0 0 112 -6,-1.5 -3,-0.2 -4,-0.6 -5,-0.1 0.723 360.0 360.0 -56.3 360.0 3.8 -3.8 -18.1