==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 07-JUN-06 2H8S . COMPND 2 MOLECULE: ALPHA-CONOTOXIN VC1A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.J.CLARK,H.FISCHER,S.T.NEVIN,D.J.ADAMS,D.J.CRAIK . 16 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 43.8 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 . 1 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 37.5 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 0 102 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 145.3 -4.3 7.0 -3.0 2 2 A a T >4 + 0 0 39 1,-0.2 3,-1.4 2,-0.2 7,-0.4 0.938 360.0 52.6 -64.0 -50.0 -2.1 4.0 -2.5 3 3 A b T 34 S+ 0 0 67 1,-0.3 -1,-0.2 5,-0.2 6,-0.1 0.739 100.0 65.6 -59.0 -24.0 -2.3 3.9 1.3 4 4 A S T 34 S+ 0 0 105 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.842 92.5 70.4 -67.0 -34.1 -6.1 4.0 0.9 5 5 A D S S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.832 99.6 49.2 -59.8 -34.1 -4.9 -2.2 1.8 7 7 A R H > S+ 0 0 186 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.947 113.3 44.5 -70.7 -49.2 -3.1 -4.2 -1.0 8 8 A a H > S+ 0 0 33 -6,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 115.4 50.6 -62.1 -36.5 -1.2 -1.1 -2.2 9 9 A N H < S+ 0 0 63 -4,-2.7 7,-0.2 -7,-0.4 -2,-0.2 0.933 112.3 44.7 -65.9 -48.4 -0.5 -0.3 1.5 10 10 A Y H < S+ 0 0 213 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 117.0 47.8 -67.9 -24.5 0.8 -3.8 2.3 11 11 A D H < S+ 0 0 106 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.807 118.3 38.9 -85.3 -35.7 2.8 -3.8 -1.0 12 12 A H X + 0 0 52 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 -0.640 62.5 153.2-119.0 73.5 4.4 -0.4 -0.4 13 13 A P T 4 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.674 76.4 54.2 -73.4 -18.1 5.2 -0.2 3.4 14 14 A E T 4 S+ 0 0 140 2,-0.2 -2,-0.1 -3,-0.2 -5,-0.0 0.882 114.2 38.4 -82.1 -41.5 8.0 2.3 2.7 15 15 A I T 4 0 0 125 1,-0.2 -1,-0.1 -6,-0.1 -12,-0.1 0.910 360.0 360.0 -74.1 -44.9 5.8 4.8 0.7 16 16 A b < 0 0 51 -4,-2.4 -1,-0.2 -7,-0.2 -2,-0.2 0.123 360.0 360.0 -97.8 360.0 2.8 4.3 3.0