==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 26-FEB-07 2EFZ . COMPND 2 MOLECULE: M CONOTOXIN MR3.4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.H.FANG,W.H.DU,Y.H.HAN,F.J.HUANG . 16 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 31.2 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 12.5 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 . 1 6.2 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 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 V 0 0 195 0, 0.0 13,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 170.2 5.6 2.6 6.8 2 2 A a - 0 0 47 12,-0.1 11,-0.0 11,-0.1 10,-0.0 -0.376 360.0-105.3 -75.6 164.7 3.3 0.2 4.8 3 3 A b - 0 0 34 9,-0.1 13,-3.0 -2,-0.1 4,-0.2 -0.869 42.6-131.7 -91.1 118.7 0.3 1.5 2.9 4 4 A P > - 0 0 72 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.118 29.3 -92.6 -65.1 166.7 -2.8 0.5 5.0 5 5 A F T 4 S+ 0 0 171 1,-0.3 2,-2.0 2,-0.2 -2,-0.0 0.916 131.4 54.0 -39.0 -55.3 -5.9 -1.2 3.6 6 6 A G T 4 S+ 0 0 82 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.397 120.8 31.1 -78.8 59.9 -7.4 2.3 3.1 7 7 A G T 4 S+ 0 0 33 -2,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.147 82.8 113.1-177.1 -49.7 -4.3 3.3 1.1 8 8 A c < + 0 0 33 -4,-2.6 -1,-0.3 -5,-0.2 2,-0.3 -0.235 30.2 156.1 -56.0 129.9 -2.7 0.4 -0.8 9 9 A H > - 0 0 136 3,-0.0 3,-2.3 0, 0.0 6,-0.1 -0.842 63.2 -83.6-135.4 175.3 -2.8 0.6 -4.6 10 10 A E T 3 S+ 0 0 204 1,-0.3 -2,-0.1 -2,-0.3 0, 0.0 0.770 124.3 68.2 -50.9 -32.8 -0.4 -1.1 -7.2 11 11 A L T 3 S+ 0 0 165 1,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.751 86.4 76.4 -55.4 -33.1 2.0 1.8 -6.7 12 12 A b < - 0 0 30 -3,-2.3 -1,-0.1 1,-0.2 -9,-0.1 -0.792 62.3-165.2-101.5 105.3 2.8 0.8 -3.1 13 13 A Y S S+ 0 0 236 -2,-0.8 -1,-0.2 1,-0.2 -11,-0.1 0.832 85.5 50.0 -51.3 -47.9 5.2 -2.2 -2.8 14 14 A a S S+ 0 0 82 -13,-0.2 -1,-0.2 2,-0.0 -12,-0.1 0.967 80.3 177.8 -65.2 -57.5 4.5 -3.0 0.9 15 15 A c 0 0 58 -6,-0.1 -10,-0.1 1,-0.1 -13,-0.1 0.967 360.0 360.0 54.7 94.7 0.7 -3.0 0.8 16 16 A D 0 0 92 -13,-3.0 -9,-0.1 -12,-0.0 -8,-0.1 -0.258 360.0 360.0 -50.1 360.0 -1.1 -3.9 4.0