==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-MAY-99 1CNN . COMPND 2 MOLECULE: OMEGA-CONOTOXIN MVIIC; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.J.NIELSEN,D.ADAMS,L.THOMAS,T.BOND,P.F.ALEWOOD,D.J.CRAIK, . 26 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 7.7 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 . 1 3.8 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-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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 11.5 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+4), SAME NUMBER PER 100 RESIDUES . 1 3.8 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 a 0 0 119 0, 0.0 2,-0.5 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 153.5 -7.1 6.0 0.8 2 2 A K B -a 15 0A 87 12,-2.1 14,-1.8 4,-0.1 15,-0.7 -0.847 360.0-127.0 -99.1 123.1 -4.0 5.8 3.0 3 3 A G > - 0 0 36 -2,-0.5 3,-2.0 12,-0.2 23,-0.4 0.041 51.6 -52.8 -59.1 172.7 -1.0 8.0 2.1 4 4 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.2 21,-0.1 16,-0.1 -0.200 127.2 8.3 -53.0 133.5 2.6 6.7 1.5 5 5 A G T 3 S+ 0 0 47 21,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.498 98.1 134.8 71.8 5.9 4.0 4.5 4.3 6 6 A A S < S- 0 0 25 -3,-2.0 2,-1.6 -4,-0.1 20,-1.1 -0.554 74.0 -85.0 -87.0 153.6 0.5 4.5 6.0 7 7 A P B S+B 25 0B 91 0, 0.0 18,-0.2 0, 0.0 2,-0.1 -0.339 75.5 143.4 -65.3 84.7 -1.0 1.2 7.4 8 8 A b - 0 0 6 -2,-1.6 2,-0.3 16,-1.4 -5,-0.0 -0.310 46.8-125.1-107.7-169.1 -2.6 -0.2 4.3 9 9 A R > > - 0 0 104 -2,-0.1 3,-1.7 1,-0.0 5,-1.2 -0.900 0.4-156.0-150.4 111.7 -3.2 -3.6 2.7 10 10 A K T 3 5S+ 0 0 65 11,-0.8 12,-0.1 -2,-0.3 10,-0.1 0.569 80.6 96.0 -63.1 -9.1 -2.1 -4.4 -0.9 11 11 A T T 3 5S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.0 11,-0.0 0.791 116.0 0.5 -51.4 -31.8 -4.8 -7.0 -0.7 12 12 A M T < 5S- 0 0 128 -3,-1.7 -1,-0.3 0, 0.0 -2,-0.2 0.134 109.5-105.6-143.0 12.2 -6.9 -4.4 -2.4 13 13 A Y T 5 - 0 0 146 -4,-0.4 -3,-0.2 1,-0.1 5,-0.1 0.988 42.3-172.9 50.5 73.8 -4.2 -1.6 -2.7 14 14 A D < + 0 0 26 -5,-1.2 -12,-2.1 -13,-0.1 2,-0.2 0.283 47.4 102.7 -78.7 8.0 -5.7 0.5 0.1 15 15 A c B S-a 2 0A 9 -14,-0.2 3,-0.5 1,-0.1 -12,-0.2 -0.618 73.2-136.5-100.7 158.2 -3.3 3.4 -0.6 16 16 A a S S+ 0 0 73 -14,-1.8 -13,-0.2 1,-0.2 -1,-0.1 0.800 109.6 65.8 -73.1 -31.4 -3.5 6.8 -2.3 17 17 A S S S- 0 0 44 -15,-0.7 -1,-0.2 1,-0.1 -14,-0.1 0.730 108.7-131.3 -61.9 -23.3 -0.2 5.8 -3.9 18 18 A G S S+ 0 0 48 -3,-0.5 2,-0.2 -5,-0.1 -1,-0.1 0.352 85.7 72.8 85.9 -4.7 -2.2 3.1 -5.6 19 19 A S - 0 0 71 -5,-0.0 -9,-0.1 -6,-0.0 -3,-0.1 -0.709 64.4-170.2-144.8 89.2 0.4 0.4 -4.6 20 20 A b - 0 0 13 -2,-0.2 6,-0.2 6,-0.2 2,-0.2 -0.265 24.8-108.6 -74.2 165.9 0.5 -0.7 -1.0 21 21 A G > - 0 0 22 4,-2.5 -11,-0.8 1,-0.1 3,-0.7 -0.562 10.9-126.3 -96.4 159.1 3.2 -3.0 0.5 22 22 A R T 3 S+ 0 0 226 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.596 112.3 65.8 -76.6 -13.0 3.1 -6.6 1.6 23 23 A R T 3 S- 0 0 230 2,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.713 123.4-106.8 -79.1 -24.4 4.6 -5.2 4.9 24 24 A G S < S+ 0 0 20 -3,-0.7 -16,-1.4 1,-0.4 2,-0.3 0.435 86.6 109.4 108.1 6.8 1.3 -3.4 5.4 25 25 A K B B 7 0B 109 -18,-0.2 -4,-2.5 1,-0.1 -1,-0.4 -0.835 360.0 360.0-113.5 153.7 2.6 0.1 4.6 26 26 A c 0 0 32 -20,-1.1 -21,-0.5 -23,-0.4 -6,-0.2 -0.177 360.0 360.0 -72.7 360.0 1.9 2.2 1.5