==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-MAR-11 2YEN . COMPND 2 MOLECULE: MU-CONOTOXIN CNIIIC; . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.FAVREAU,E.BENOIT,H.G.HOCKING,L.CARLIER,D.D'HOEDT,E.LEIPOLD . 22 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 72.7 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 . 3 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 31.8 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 X 0 0 151 0, 0.0 2,-0.8 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 31.2 -6.0 -1.5 6.3 2 2 A G >> + 0 0 43 1,-0.1 4,-2.3 8,-0.0 3,-1.7 -0.377 360.0 80.4 96.3 -52.4 -5.2 2.1 5.5 3 3 A a T 34 S+ 0 0 15 -2,-0.8 7,-0.9 1,-0.3 6,-0.2 0.872 105.7 29.4 -53.7 -41.7 -3.2 1.2 2.4 4 4 A b T 34 S+ 0 0 45 5,-0.2 -1,-0.3 1,-0.1 0, 0.0 0.196 119.2 58.4-108.5 16.2 -6.3 0.8 0.4 5 5 A N T <4 S+ 0 0 124 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.614 103.4 48.7-117.2 -23.2 -8.4 3.3 2.4 6 6 A G S >X S- 0 0 35 -4,-2.3 3,-0.8 1,-0.0 4,-0.6 -0.784 84.5-113.9-119.6 163.7 -6.2 6.4 2.0 7 7 A P T 34 S+ 0 0 134 0, 0.0 -4,-0.1 0, 0.0 -1,-0.0 0.692 114.4 44.1 -70.8 -19.1 -4.6 8.1 -1.0 8 8 A K T >> S+ 0 0 153 -6,-0.1 4,-0.6 1,-0.1 3,-0.5 0.495 90.7 86.9-104.7 -4.4 -1.1 7.4 0.1 9 9 A G G X4 S+ 0 0 9 -3,-0.8 3,-1.3 -7,-0.4 6,-0.4 0.960 96.1 35.7 -63.5 -52.8 -1.5 3.8 1.1 10 10 A c G 3< S+ 0 0 53 -7,-0.9 -1,-0.3 -4,-0.6 -2,-0.1 0.393 107.9 69.4 -84.4 5.5 -1.0 2.2 -2.2 11 11 A S G <4 S+ 0 0 101 -3,-0.5 2,-0.5 -8,-0.1 -1,-0.3 0.579 83.9 84.9 -91.7 -15.4 1.6 4.8 -2.9 12 12 A S S S+ 0 0 144 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.845 97.6 62.2 -61.6 -33.9 5.6 0.2 -1.8 14 14 A W H > S+ 0 0 159 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.918 107.6 43.5 -57.4 -44.5 5.0 -2.1 1.2 15 15 A a H > S+ 0 0 10 -3,-0.4 4,-1.6 -6,-0.4 7,-0.4 0.871 113.8 51.1 -70.2 -34.9 1.3 -1.9 0.6 16 16 A R H < S+ 0 0 167 -4,-1.9 -2,-0.2 -7,-0.2 -1,-0.2 0.888 116.4 42.2 -66.1 -39.4 1.9 -2.4 -3.1 17 17 A D H < S+ 0 0 96 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.946 130.4 21.7 -70.3 -52.1 4.1 -5.4 -2.3 18 18 A H H < S+ 0 0 129 -4,-3.3 2,-0.5 -5,-0.2 -3,-0.2 0.852 106.0 76.6 -93.4 -38.2 2.0 -7.1 0.4 19 19 A A >< - 0 0 25 -4,-1.6 3,-1.2 -5,-0.5 -1,-0.0 -0.666 60.1-155.9 -88.1 124.7 -1.6 -5.8 -0.0 20 20 A R T 3 S+ 0 0 257 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.701 92.5 64.1 -69.4 -21.9 -3.5 -7.4 -2.8 21 21 A b T 3 0 0 74 1,-0.2 -1,-0.3 -6,-0.1 -5,-0.1 0.655 360.0 360.0 -77.5 -13.8 -5.8 -4.4 -3.0 22 22 A c < 0 0 24 -3,-1.2 -1,-0.2 -7,-0.4 -18,-0.0 -0.733 360.0 360.0 -93.0 360.0 -2.9 -2.2 -4.0