==== 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 1TCJ . COMPND 2 MOLECULE: MU-CONOTOXIN GIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . 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) . 2411.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 13.6 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 0 245 0, 0.0 2,-0.3 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 130.1 -1.0 1.6 -2.0 2 2 A D - 0 0 88 5,-1.2 7,-0.1 3,-0.6 5,-0.1 -0.994 360.0-111.5-147.6 153.4 1.3 -0.3 -4.2 3 3 A a S S- 0 0 16 -2,-0.3 6,-1.3 5,-0.2 7,-0.2 0.817 115.0 -0.9 -54.5 -31.7 1.9 -0.8 -7.9 4 4 A b S S+ 0 0 40 4,-0.3 4,-0.3 5,-0.2 2,-0.2 0.532 105.3 99.5-135.9 -15.3 0.7 -4.4 -7.6 5 5 A T S S- 0 0 77 2,-0.2 -3,-0.6 1,-0.1 2,-0.1 -0.570 93.9 -54.4 -77.1 142.0 -0.2 -5.2 -4.0 6 6 A X S S+ 0 0 140 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.350 141.1 39.7 -56.5 122.6 -4.0 -5.1 -3.3 7 7 A X S S- 0 0 117 1,-0.2 -5,-1.2 -5,-0.1 -2,-0.2 0.389 101.6-150.0 -76.7 129.4 -5.1 -2.4 -4.1 8 8 A K - 0 0 150 -4,-0.3 -4,-0.3 -7,-0.1 -5,-0.2 -0.127 12.9-169.4 -58.5 164.5 -2.8 -2.6 -7.1 9 9 A K + 0 0 82 -6,-1.3 3,-0.2 -7,-0.1 -5,-0.2 -0.250 28.4 148.0-158.4 67.0 -1.7 0.8 -8.5 10 10 A c + 0 0 42 1,-0.2 5,-0.1 -7,-0.2 -7,-0.1 -0.119 42.6 112.0 -94.8 40.5 0.0 0.8 -11.9 11 11 A K + 0 0 169 -2,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.080 67.0 71.4 -97.1 24.2 -1.3 4.3 -12.7 12 12 A D S > S- 0 0 90 -3,-0.2 3,-0.6 1,-0.1 -3,-0.0 -0.859 82.6-119.4-134.9 170.0 2.1 5.8 -12.5 13 13 A R G >> S+ 0 0 201 -2,-0.3 4,-0.7 1,-0.2 3,-0.7 0.822 113.4 49.7 -78.5 -33.5 5.4 6.0 -14.4 14 14 A Q G 34 S+ 0 0 172 1,-0.2 -1,-0.2 2,-0.1 -11,-0.1 0.184 116.6 43.0 -91.2 19.3 7.5 4.5 -11.5 15 15 A a G <4 S+ 0 0 25 -3,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.149 101.1 70.3-144.0 12.8 5.0 1.6 -11.1 16 16 A K T <4 S+ 0 0 117 -3,-0.7 6,-2.0 5,-0.1 5,-0.2 0.811 89.5 54.0-101.9 -43.0 4.4 0.8 -14.7 17 17 A X S < S+ 0 0 95 -4,-0.7 4,-0.2 4,-0.1 -3,-0.1 0.802 82.0 116.8 -62.6 -25.2 7.7 -0.8 -15.9 18 18 A Q S >> S- 0 0 87 1,-0.2 3,-1.3 2,-0.1 4,-0.7 -0.204 79.4-128.9 -46.4 114.9 7.2 -3.1 -13.0 19 19 A R T 34 S+ 0 0 256 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.738 108.3 72.3 -41.4 -21.2 6.9 -6.5 -14.5 20 20 A b T 34 S+ 0 0 48 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.001 111.7 20.4 -86.8 31.0 3.8 -6.5 -12.3 21 21 A c T <4 0 0 38 -3,-1.3 -2,-0.2 -4,-0.2 -4,-0.1 0.185 360.0 360.0-154.8 -74.9 2.0 -4.0 -14.6 22 22 A A < 0 0 116 -6,-2.0 -3,-0.1 -4,-0.7 -5,-0.1 0.937 360.0 360.0 -42.5 360.0 3.2 -3.4 -18.2