==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 13-FEB-98 2CCO . COMPND 2 MOLECULE: OMEGA-CONOTOXIN GVIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . AUTHOR P.K.PALLAGHY,R.S.NORTON . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 18.5 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 . 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 . 1 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 11.1 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 . 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 . 2 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 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 . 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 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 0 115 0, 0.0 2,-0.3 0, 0.0 14,-0.3 0.000 360.0 360.0 360.0-175.7 20.2 4.6 9.5 2 2 A K B -a 15 0A 102 12,-1.7 14,-3.0 4,-0.1 15,-0.3 -0.743 360.0-122.3-116.4 164.0 21.6 5.4 6.0 3 3 A S > - 0 0 68 -2,-0.3 3,-2.1 12,-0.2 23,-0.5 -0.578 48.0 -80.9 -90.6 152.9 21.0 7.6 3.0 4 4 A X B 3 S+b 26 0B 90 1,-0.2 23,-0.2 -2,-0.2 -1,-0.2 -0.251 122.1 38.1 -42.4 140.0 20.3 6.5 -0.5 5 5 A G T 3 S+ 0 0 43 21,-1.7 -1,-0.2 1,-0.5 22,-0.1 -0.001 85.9 116.8 97.2 -30.8 23.6 5.6 -2.1 6 6 A S S < S- 0 0 28 -3,-2.1 20,-2.7 1,-0.1 -1,-0.5 -0.388 80.8-103.6 -62.5 153.7 24.8 4.1 1.1 7 7 A S B +C 25 0B 97 18,-0.3 18,-0.3 -3,-0.1 2,-0.2 -0.720 50.4 179.8 -90.7 132.1 25.4 0.5 0.2 8 8 A b - 0 0 17 16,-1.8 2,-0.3 -2,-0.4 11,-0.0 -0.600 33.4-122.8-122.4-178.1 22.8 -2.0 1.4 9 9 A S > - 0 0 60 -2,-0.2 3,-2.8 1,-0.0 4,-0.3 -0.829 53.4 -96.1-118.0 152.1 21.6 -5.6 1.6 10 10 A X T 3 S+ 0 0 116 1,-0.4 9,-0.5 -2,-0.3 11,-0.1 0.841 127.8 14.8 -45.6 -37.6 18.0 -6.2 0.2 11 11 A T T 3 S+ 0 0 96 1,-0.1 -1,-0.4 7,-0.1 -3,-0.0 -0.381 77.2 148.9-129.9 51.8 17.0 -5.8 3.7 12 12 A S < - 0 0 47 -3,-2.8 -2,-0.1 1,-0.1 -1,-0.1 0.852 47.1-144.9 -56.8 -30.6 20.0 -4.3 5.6 13 13 A Y S S+ 0 0 219 -4,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.752 80.6 97.3 69.3 25.7 17.4 -2.7 7.9 14 14 A N + 0 0 65 -5,-0.2 -12,-1.7 -13,-0.1 2,-0.5 0.311 54.2 90.6-123.5 3.3 20.0 0.1 7.8 15 15 A c B S-a 2 0A 21 -14,-0.3 -12,-0.2 1,-0.1 4,-0.1 -0.889 71.2-138.3-106.4 132.5 18.6 2.4 5.2 16 16 A a S S+ 0 0 68 -14,-3.0 -13,-0.1 -2,-0.5 -1,-0.1 0.609 103.9 16.0 -62.5 -10.5 16.3 5.2 6.3 17 17 A R S S- 0 0 175 1,-0.4 2,-0.3 -15,-0.3 -1,-0.2 0.660 119.7 -78.7-127.2 -44.9 14.1 4.3 3.2 18 18 A S - 0 0 65 2,-0.0 9,-2.0 -4,-0.0 -1,-0.4 -0.888 50.6 -75.9 157.6-174.1 14.9 0.9 1.8 19 19 A b E -D 26 0B 5 -9,-0.5 2,-0.6 7,-0.4 7,-0.3 -0.607 27.8-126.9-107.6 167.1 17.7 -0.6 -0.5 20 20 A N E >>> -D 25 0B 28 5,-2.2 4,-3.7 -2,-0.2 3,-2.5 -0.757 16.5-160.5-118.5 82.4 18.2 -0.4 -4.3 21 21 A X T 345S+ 0 0 99 -2,-0.6 -1,-0.1 1,-0.3 -11,-0.1 0.419 86.9 54.7 -40.8 -4.0 18.6 -4.0 -5.5 22 22 A Y T 345S+ 0 0 207 -2,-0.2 -1,-0.3 3,-0.2 -3,-0.0 0.249 127.3 14.9-120.3 14.6 20.3 -2.8 -8.7 23 23 A T T <45S- 0 0 47 -3,-2.5 -2,-0.2 2,-0.2 3,-0.1 0.302 96.3-127.9-144.4 -44.6 23.1 -0.8 -7.2 24 24 A K T <5 + 0 0 121 -4,-3.7 -16,-1.8 1,-0.4 2,-0.3 0.820 67.9 130.4 84.3 43.7 22.8 -2.1 -3.7 25 25 A R E