==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 22-SEP-02 1MTQ . COMPND 2 MOLECULE: ALPHA-CONOTOXIN GID; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.NICKE,M.L.LOUGHNAN,E.L.MILLARD,P.F.ALEWOOD,D.J.ADAMS, . 19 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 42.1 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 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 26.3 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 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 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 I 0 0 227 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.8 -13.5 6.1 -3.8 2 2 A R + 0 0 187 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.900 360.0 169.0-167.6 136.9 -11.0 4.9 -1.2 3 3 A D - 0 0 104 -2,-0.3 2,-1.6 5,-0.0 3,-0.3 -0.957 31.9-137.2-153.6 130.4 -8.7 2.0 -0.7 4 4 A X > + 0 0 110 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 -0.402 45.9 148.3 -87.7 60.6 -5.9 1.5 1.8 5 5 A a T 4 + 0 0 50 -2,-1.6 -1,-0.2 1,-0.2 10,-0.1 0.755 68.3 64.6 -63.6 -23.4 -3.5 0.0 -0.7 6 6 A b T 4 S+ 0 0 58 -3,-0.3 -1,-0.2 1,-0.2 13,-0.1 0.962 112.9 28.7 -64.4 -53.8 -0.8 1.6 1.4 7 7 A S T 4 S+ 0 0 92 -3,-0.2 -2,-0.2 4,-0.1 -1,-0.2 0.720 96.3 114.6 -79.0 -23.8 -1.4 -0.5 4.5 8 8 A N X - 0 0 54 -4,-2.3 4,-2.8 1,-0.1 5,-0.2 -0.284 59.8-150.8 -52.8 119.6 -2.7 -3.4 2.3 9 9 A P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.918 96.6 46.1 -60.3 -45.9 -0.2 -6.3 2.8 10 10 A A H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 114.3 47.8 -63.4 -46.0 -0.9 -7.7 -0.7 11 11 A a H > S+ 0 0 14 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.913 110.8 52.0 -60.7 -43.7 -0.6 -4.2 -2.3 12 12 A R H < S+ 0 0 140 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.5 47.0 -60.6 -39.4 2.6 -3.6 -0.3 13 13 A V H < S+ 0 0 85 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.900 118.5 40.5 -70.0 -41.5 4.0 -6.9 -1.6 14 14 A N H < S+ 0 0 121 -4,-2.6 2,-0.5 1,-0.3 -2,-0.2 0.919 129.6 28.7 -72.1 -46.1 3.0 -6.1 -5.2 15 15 A N S >< S- 0 0 82 -4,-3.8 3,-1.0 -5,-0.2 4,-0.4 -0.799 81.4-163.6-120.5 87.8 4.0 -2.5 -5.1 16 16 A X T 3 S- 0 0 93 -2,-0.5 -3,-0.1 -3,-0.4 -4,-0.1 -0.564 73.8 -7.4 -76.6 131.1 6.8 -1.9 -2.6 17 17 A H T 3 S+ 0 0 186 -2,-0.3 -1,-0.2 -11,-0.1 -5,-0.1 0.734 94.0 125.3 56.9 27.9 7.4 1.7 -1.4 18 18 A V < 0 0 107 -3,-1.0 -2,-0.1 -6,-0.1 -1,-0.1 0.858 360.0 360.0 -79.6 -35.6 4.9 2.9 -4.0 19 19 A b 0 0 105 -4,-0.4 0, 0.0 -13,-0.1 0, 0.0 -0.541 360.0 360.0 -89.4 360.0 3.0 4.6 -1.2