==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-JUN-04 1TR6 . COMPND 2 MOLECULE: OMEGA-CONOTOXIN GVIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . AUTHOR J.MOULD,T.YASUDA,C.I.SCHROEDER,A.M.BEEDLE,C.J.DOERING,G.W.ZA . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 3.7 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 . 1 3.7 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 . 5 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.7 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 . 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 0 0 0 0 ANTIPARALLEL 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 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 93 0, 0.0 14,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-142.0 16.0 5.1 4.6 2 2 A K B -a 15 0A 103 12,-0.9 14,-0.7 1,-0.2 15,-0.2 -0.710 360.0 -59.8-134.5-177.1 17.3 4.5 1.0 3 3 A S > - 0 0 72 -2,-0.2 3,-1.2 1,-0.1 2,-0.6 -0.208 48.7-109.1 -63.8 159.6 15.7 4.5 -2.5 4 4 A X T 3 S+ 0 0 123 1,-0.2 -1,-0.1 11,-0.1 21,-0.1 -0.180 124.9 30.4 -78.5 40.4 12.8 2.2 -3.4 5 5 A G T 3 S+ 0 0 31 -2,-0.6 -1,-0.2 19,-0.1 2,-0.1 0.171 85.4 144.0-178.9 10.6 15.4 0.4 -5.6 6 6 A S < - 0 0 39 -3,-1.2 2,-1.5 19,-0.2 20,-1.4 -0.427 67.0 -98.9 -65.0 138.2 18.6 1.0 -3.6 7 7 A S + 0 0 80 18,-0.2 18,-0.3 -2,-0.1 -1,-0.1 -0.422 62.5 161.0 -65.3 91.1 20.8 -2.1 -3.7 8 8 A b - 0 0 10 -2,-1.5 2,-0.1 12,-0.2 5,-0.1 0.126 18.9-166.0 -89.6-152.7 20.0 -3.7 -0.4 9 9 A S - 0 0 47 3,-0.5 -1,-0.1 16,-0.0 15,-0.1 -0.420 49.3 -55.0-162.2-120.0 20.6 -7.4 0.6 10 10 A K S S+ 0 0 126 -2,-0.1 9,-0.1 14,-0.1 11,-0.1 0.734 133.6 31.8-110.3 -42.2 19.4 -9.6 3.5 11 11 A T S S+ 0 0 111 1,-0.1 2,-1.3 2,-0.0 -3,-0.0 0.665 94.1 99.5 -89.8 -21.1 20.4 -7.5 6.5 12 12 A S + 0 0 32 1,-0.2 -3,-0.5 2,-0.1 3,-0.1 -0.549 36.4 159.2 -72.6 95.0 19.9 -4.2 4.8 13 13 A Y + 0 0 179 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.0 0.045 35.7 116.6-103.4 21.8 16.5 -3.1 6.0 14 14 A N + 0 0 80 -13,-0.1 -12,-0.9 4,-0.0 2,-0.5 0.137 43.6 113.6 -77.9 21.1 17.2 0.5 5.2 15 15 A c B -a 2 0A 15 -14,-0.2 4,-0.1 1,-0.1 -12,-0.1 -0.840 60.0-152.5 -96.1 125.8 14.4 0.6 2.6 16 16 A a S S+ 0 0 107 -14,-0.7 -1,-0.1 -2,-0.5 -12,-0.1 0.848 103.6 29.3 -63.1 -29.5 11.3 2.8 3.4 17 17 A R S S- 0 0 162 1,-0.2 2,-0.3 -15,-0.2 -2,-0.1 0.877 124.3 -80.3 -89.4 -85.5 9.4 0.3 1.3 18 18 A S - 0 0 34 9,-0.4 9,-2.0 -4,-0.1 2,-0.6 -0.960 36.3 -91.1-174.7 167.6 11.2 -3.1 1.7 19 19 A b E -B 26 0B 19 -2,-0.3 2,-0.7 7,-0.3 7,-0.3 -0.859 27.1-154.8-102.4 117.4 14.2 -5.1 0.4 20 20 A N E >> -B 25 0B 19 5,-2.3 5,-1.4 -2,-0.6 4,-0.8 -0.798 4.4-167.9 -89.6 111.2 13.7 -7.4 -2.6 21 21 A X T 45S+ 0 0 56 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.386 84.7 66.4 -78.5 2.8 16.3 -10.2 -2.5 22 22 A Y T 45S+ 0 0 192 3,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.787 118.7 21.9 -89.4 -34.6 15.5 -11.1 -6.1 23 23 A T T 45S- 0 0 73 -3,-0.5 -2,-0.2 2,-0.3 3,-0.1 0.376 99.7-130.1-108.9 -4.1 16.9 -7.8 -7.4 24 24 A K T <5S+ 0 0 98 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.782 81.8 101.9 53.8 26.2 19.1 -7.3 -4.3 25 25 A R E