==== 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 1TCK . COMPND 2 MOLECULE: MU-CONOTOXIN GIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . 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) . 2103.0 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 . 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 . 2 9.1 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 . 3 13.6 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 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 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 0 216 0, 0.0 6,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 106.9 -0.6 1.9 -2.3 2 2 A D - 0 0 90 3,-0.2 5,-0.1 1,-0.1 13,-0.1 -0.214 360.0-119.5 -76.6 174.1 1.8 -0.5 -4.0 3 3 A a S S+ 0 0 25 5,-0.2 -1,-0.1 11,-0.1 6,-0.1 0.646 108.6 14.4 -89.0 -16.0 2.0 -1.1 -7.7 4 4 A b S S+ 0 0 33 4,-0.2 4,-0.3 3,-0.1 2,-0.3 0.564 107.1 85.8-130.1 -24.7 1.3 -4.8 -7.4 5 5 A T S S- 0 0 73 2,-0.2 -3,-0.2 1,-0.1 2,-0.1 -0.611 97.6 -57.5 -82.3 143.4 -0.1 -5.4 -3.9 6 6 A X S S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.3 -4,-0.1 -0.412 138.8 40.3 -61.2 128.1 -3.8 -4.9 -3.4 7 7 A X S S- 0 0 111 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.2 0.141 99.7-162.7 -76.2 109.2 -4.9 -2.2 -4.1 8 8 A K - 0 0 123 -4,-0.3 2,-0.3 -7,-0.1 -5,-0.2 -0.112 2.2-155.7 -53.5 158.5 -2.4 -2.6 -7.0 9 9 A K + 0 0 76 -6,-0.1 2,-0.6 6,-0.1 3,-0.2 -0.735 24.9 160.1-144.9 94.2 -1.5 0.6 -8.8 10 10 A c + 0 0 59 -2,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.726 52.2 80.2-115.7 81.6 -0.3 0.5 -12.4 11 11 A K S S+ 0 0 161 -2,-0.6 2,-0.2 1,-0.2 -1,-0.1 0.436 73.0 71.1-148.9 -35.9 -0.8 3.9 -13.9 12 12 A D S >> S- 0 0 96 -3,-0.2 3,-1.8 1,-0.1 4,-1.1 -0.495 86.2-111.6 -89.2 161.7 2.0 6.2 -12.8 13 13 A A H 3> S+ 0 0 55 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.872 116.4 66.1 -59.1 -36.1 5.6 5.9 -14.1 14 14 A Q H 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 -11,-0.1 0.360 116.0 28.3 -69.0 11.8 6.7 4.8 -10.7 15 15 A a H <4 S+ 0 0 10 -3,-1.8 3,-0.5 -13,-0.1 -1,-0.2 0.392 101.5 77.9-147.0 -7.4 4.6 1.7 -11.3 16 16 A K H < S+ 0 0 118 -4,-1.1 2,-1.9 -3,-0.5 6,-0.6 0.919 85.5 62.2 -75.6 -43.1 4.6 1.1 -15.0 17 17 A X S < S+ 0 0 111 -4,-0.9 2,-0.5 4,-0.1 -1,-0.2 -0.114 85.0 109.9 -75.7 43.9 8.1 -0.5 -15.2 18 18 A Q S >> S- 0 0 75 -2,-1.9 3,-2.3 -3,-0.5 4,-2.1 -0.976 76.1-132.5-125.6 121.7 6.8 -3.2 -13.0 19 19 A R T 34 S+ 0 0 221 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.803 111.7 60.4 -38.4 -33.6 6.3 -6.8 -14.2 20 20 A b T 34 S+ 0 0 38 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.1 0.047 123.0 18.8 -86.9 30.0 3.0 -6.5 -12.4 21 21 A c T <4 0 0 33 -3,-2.3 -2,-0.2 -5,-0.2 -5,-0.1 0.275 360.0 360.0-158.1 -56.1 2.0 -3.6 -14.7 22 22 A A < 0 0 106 -4,-2.1 -1,-0.1 -6,-0.6 -5,-0.1 0.012 360.0 360.0 -49.1 360.0 4.1 -3.3 -17.9