==== 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 1TCH . COMPND 2 MOLECULE: MU-CONOTOXIN GIIIA; . AUTHOR J.-M.LANCELIN,D.KOHDA,F.INAGAKI . 22 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 36.4 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 . 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 0 257 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 154.2 0.3 0.9 -0.8 2 2 A D - 0 0 93 3,-0.5 5,-0.1 5,-0.5 13,-0.1 -0.790 360.0-107.0-137.7-178.9 2.2 -0.6 -3.7 3 3 A a S S+ 0 0 17 -2,-0.2 6,-1.6 5,-0.2 15,-0.1 0.669 119.4 22.2 -86.2 -17.6 2.1 -1.0 -7.5 4 4 A b S S+ 0 0 48 4,-0.3 2,-0.4 3,-0.1 4,-0.2 0.428 103.0 92.7-126.2 -5.8 1.2 -4.7 -7.3 5 5 A T S S- 0 0 75 2,-0.3 -3,-0.5 4,-0.1 2,-0.2 -0.754 94.4 -61.9 -93.0 140.3 -0.2 -5.1 -3.8 6 6 A X S S+ 0 0 121 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.427 139.0 40.6 -62.1 123.4 -4.1 -4.8 -3.5 7 7 A X S S- 0 0 125 -2,-0.2 -5,-0.5 1,-0.2 -2,-0.3 0.318 103.5-160.3 -72.2 123.3 -5.1 -2.1 -4.3 8 8 A K - 0 0 135 -4,-0.2 2,-0.4 -7,-0.1 -4,-0.3 -0.197 2.8-150.2 -67.4 166.1 -2.5 -2.6 -7.0 9 9 A K + 0 0 101 -6,-1.6 -4,-0.1 6,-0.1 11,-0.1 -0.910 36.0 144.9-144.8 114.8 -1.2 0.5 -8.9 10 10 A c + 0 0 47 -2,-0.4 -1,-0.1 11,-0.1 -7,-0.1 0.017 59.1 80.7-136.5 28.4 -0.1 0.5 -12.6 11 11 A K S S+ 0 0 183 3,-0.0 5,-0.1 -8,-0.0 -2,-0.0 0.768 77.7 73.5-103.0 -37.0 -1.2 3.9 -13.8 12 12 A D S S- 0 0 98 1,-0.1 4,-0.2 3,-0.1 -3,-0.0 0.001 87.1-113.4 -67.9-178.7 1.6 6.1 -12.4 13 13 A A S >> S+ 0 0 68 2,-0.2 3,-2.6 1,-0.2 4,-0.8 0.959 110.9 53.1 -83.4 -60.9 5.1 6.2 -13.9 14 14 A Q T 34 S+ 0 0 178 1,-0.3 -1,-0.2 2,-0.2 -11,-0.1 0.537 114.1 49.9 -54.6 -1.3 7.2 4.7 -11.1 15 15 A a T 34 S+ 0 0 14 -13,-0.1 -1,-0.3 -12,-0.0 3,-0.3 0.507 92.2 73.5-114.4 -10.0 4.8 1.8 -11.3 16 16 A K T <4 S+ 0 0 126 -3,-2.6 2,-2.9 -4,-0.2 6,-0.7 0.930 84.1 65.9 -71.1 -45.1 4.7 1.1 -15.0 17 17 A X S < S+ 0 0 114 -4,-0.8 2,-0.4 4,-0.1 -1,-0.2 -0.278 82.6 109.1 -74.2 58.3 8.2 -0.5 -15.2 18 18 A Q S >> S- 0 0 73 -2,-2.9 3,-2.2 -3,-0.3 4,-1.4 -0.969 76.8-130.8-140.1 121.5 6.9 -3.4 -13.1 19 19 A R T 34 S+ 0 0 246 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.742 111.0 66.0 -40.1 -23.4 6.3 -6.9 -14.3 20 20 A b T 34 S+ 0 0 44 1,-0.1 -1,-0.3 -5,-0.1 -11,-0.1 0.091 117.2 20.8 -89.4 25.6 3.0 -6.4 -12.5 21 21 A c T <4 0 0 41 -3,-2.2 -2,-0.2 1,-0.4 -4,-0.1 0.339 360.0 360.0-152.0 -57.0 2.0 -3.8 -15.0 22 22 A A < 0 0 113 -4,-1.4 -1,-0.4 -6,-0.7 -5,-0.0 -0.391 360.0 360.0 -70.7 360.0 3.9 -3.9 -18.3