==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRESYNAPTIC NEUROTOXIN 28-APR-93 1OMC . COMPND 2 MOLECULE: OMEGA-CONOTOXIN GVIA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS; . AUTHOR J.H.DAVIS,E.K.BRADLEY,G.P.MILJANICH,L.NADASDI, . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 59.3 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 . 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 . 3 11.1 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 . 2 7.4 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 . 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 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 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,-0.4 0, 0.0 14,-0.3 0.000 360.0 360.0 360.0-175.3 9.1 -1.4 -0.4 2 2 A K B -a 15 0A 74 12,-1.0 14,-2.4 4,-0.1 15,-0.4 -0.886 360.0-111.7 -97.4 135.7 6.1 -2.8 1.5 3 3 A S > - 0 0 78 -2,-0.4 3,-2.1 12,-0.2 23,-0.3 -0.455 44.1 -86.5 -54.7 136.6 4.9 -6.3 0.8 4 4 A X T 3 S+ 0 0 58 1,-0.2 23,-0.2 -2,-0.2 -1,-0.1 -0.056 117.3 29.2 -44.7 142.5 1.4 -6.8 -0.9 5 5 A G T 3 S+ 0 0 51 21,-3.1 -1,-0.2 1,-0.2 22,-0.1 -0.042 94.8 134.6 85.2 -24.4 -1.4 -6.9 1.7 6 6 A S < - 0 0 41 -3,-2.1 20,-1.5 19,-0.2 2,-0.4 -0.254 67.0-101.8 -71.8 142.1 0.6 -4.6 4.1 7 7 A S B +B 25 0B 101 18,-0.2 18,-0.3 -3,-0.1 2,-0.2 -0.368 60.5 155.4 -60.6 104.6 -0.7 -1.6 6.1 8 8 A b - 0 0 8 16,-3.0 2,-0.4 -2,-0.4 -1,-0.0 -0.802 48.0 -96.0-133.2 162.0 0.6 1.4 4.2 9 9 A S >> - 0 0 57 -2,-0.2 4,-0.9 1,-0.1 5,-0.6 -0.784 29.0-141.1 -87.9 126.5 -0.2 5.1 3.6 10 10 A X T >45S+ 0 0 32 -2,-0.4 3,-1.9 11,-0.2 9,-0.3 0.979 96.2 46.0 -48.7 -58.6 -2.3 5.7 0.4 11 11 A T T 345S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.1 10,-0.0 0.688 111.2 49.6 -64.6 -36.5 -0.5 8.9 -0.8 12 12 A S T 345S- 0 0 69 1,-0.0 -1,-0.3 2,-0.0 -2,-0.2 0.628 88.5-153.7 -70.6 -22.6 3.1 7.7 -0.3 13 13 A Y T <<5 + 0 0 116 -3,-1.9 2,-1.4 -4,-0.9 -3,-0.1 0.733 24.4 172.7 44.6 45.7 2.3 4.5 -2.3 14 14 A N < + 0 0 55 -5,-0.6 -12,-1.0 4,-0.1 2,-0.2 0.055 38.0 98.3 -81.5 42.4 5.1 2.7 -0.4 15 15 A c B S-a 2 0A 15 -2,-1.4 3,-0.3 -14,-0.3 -12,-0.2 -0.651 80.2-123.2-117.7 160.4 4.4 -0.8 -1.6 16 16 A a S S+ 0 0 93 -14,-2.4 2,-0.5 1,-0.3 -13,-0.1 0.899 117.6 33.7 -65.9 -46.1 5.8 -3.0 -4.4 17 17 A R S S- 0 0 156 -15,-0.4 10,-0.5 10,-0.3 -1,-0.3 -0.975 121.3 -90.4-108.8 120.5 2.2 -3.1 -5.7 18 18 A S - 0 0 55 -2,-0.5 9,-2.2 -3,-0.3 2,-0.1 0.342 39.8 -98.7 -36.7 149.6 0.6 0.3 -4.9 19 19 A b E -C 26 0B 0 -9,-0.3 2,-0.7 7,-0.2 7,-0.3 -0.297 34.7-121.4 -75.4 121.0 -1.4 1.0 -1.7 20 20 A N E >>> -C 25 0B 25 5,-3.1 4,-1.8 1,-0.1 3,-0.8 -0.643 19.7-146.2 -63.3 116.2 -5.1 0.7 -2.1 21 21 A X T 345S+ 0 0 49 -2,-0.7 3,-0.3 1,-0.3 -11,-0.2 0.852 92.9 48.2 -59.5 -37.1 -6.3 4.2 -1.2 22 22 A Y T 345S+ 0 0 200 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.714 121.2 31.5 -71.4 -37.3 -9.7 2.9 0.4 23 23 A T T <45S- 0 0 40 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.478 93.5-127.4-104.1 -13.4 -8.2 0.1 2.6 24 24 A K T <5S+ 0 0 111 -4,-1.8 -16,-3.0 -3,-0.3 2,-0.4 0.675 74.4 116.2 66.5 30.4 -4.7 1.4 3.6 25 25 A R E