==== 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 NEUROTOXIN 15-SEP-97 1M2C . COMPND 2 MOLECULE: ALPHA-CONOTOXIN MII; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS MAGUS; . AUTHOR K.J.SHON,S.C.KOERBER,J.E.RIVIER,B.M.OLIVERA,J.M.MCINTOSH . 16 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 62.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 25.0 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+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 G 0 0 70 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.7 16.4 15.8 -12.6 2 2 A a > + 0 0 48 3,-0.2 3,-1.8 10,-0.0 7,-0.9 -0.607 360.0 3.8 -76.7 -65.8 17.3 18.7 -11.8 3 3 A b T 3 S+ 0 0 58 12,-0.4 6,-0.1 5,-0.3 13,-0.1 0.737 131.2 60.9 -44.0 -33.3 13.9 20.5 -11.0 4 4 A S T 3 S+ 0 0 102 4,-0.0 -1,-0.2 5,-0.0 3,-0.0 0.637 95.0 66.3 -78.8 -15.9 12.0 17.1 -11.5 5 5 A N S <> S- 0 0 85 -3,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.931 85.0-139.2 -88.6 131.7 14.0 15.4 -8.6 6 6 A P H > S+ 0 0 96 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.818 101.2 45.9 -60.6 -26.3 13.0 17.1 -5.2 7 7 A V H >> S+ 0 0 99 2,-0.2 4,-2.3 3,-0.1 3,-0.7 0.960 114.5 43.2 -78.8 -56.9 16.7 17.0 -4.0 8 8 A a H 3> S+ 0 0 39 1,-0.3 4,-0.8 2,-0.2 -5,-0.3 0.865 111.8 57.6 -61.2 -31.5 18.4 18.3 -7.2 9 9 A H H 3< S+ 0 0 55 -4,-2.1 7,-0.4 -7,-0.9 -1,-0.3 0.847 110.7 42.3 -51.2 -46.7 15.7 21.0 -7.5 10 10 A L H X< S+ 0 0 116 -3,-0.7 3,-0.9 -4,-0.6 -2,-0.2 0.883 102.1 64.0 -89.6 -37.0 16.5 22.3 -4.0 11 11 A E H 3< S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 125.2 20.6 -38.1 -39.0 20.4 22.2 -4.3 12 12 A H T >< S+ 0 0 105 -4,-0.8 3,-1.1 -5,-0.2 4,-0.4 -0.615 76.6 165.6-136.3 77.0 19.8 24.9 -7.0 13 13 A S G X S+ 0 0 66 -3,-0.9 3,-0.7 1,-0.3 -2,-0.1 0.834 76.8 63.0 -70.9 -29.0 16.3 26.3 -6.2 14 14 A N G 3 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.797 100.8 55.5 -42.5 -40.9 16.9 29.2 -8.6 15 15 A L G < 0 0 118 -3,-1.1 -12,-0.4 -6,-0.2 -2,-0.2 0.522 360.0 360.0 -86.8 -7.2 17.1 26.4 -11.3 16 16 A b < 0 0 66 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.718 360.0 360.0 -95.7 360.0 13.6 25.0 -10.5