==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 23-JUN-04 1TTL . 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, . 27 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 44.4 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 . 2 7.4 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+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 . 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 0 100 0, 0.0 14,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 161.1 9.6 5.9 7.9 2 2 A K B -a 15 0A 103 12,-2.3 14,-2.5 11,-0.1 15,-0.4 -0.202 360.0-179.0 -96.1-171.3 9.9 3.8 4.8 3 3 A S + 0 0 21 12,-0.3 15,-0.5 1,-0.2 2,-0.4 0.336 58.4 56.3-160.7 -35.4 10.4 -0.0 4.6 4 4 A X S S- 0 0 113 23,-0.1 23,-0.2 1,-0.1 -1,-0.2 -0.956 114.5 -22.4-130.1 126.2 10.6 -1.2 0.9 5 5 A G S S+ 0 0 42 21,-1.8 2,-0.5 -2,-0.4 -1,-0.1 0.676 88.5 143.5 56.9 21.9 12.9 -0.2 -2.0 6 6 A S - 0 0 24 1,-0.1 20,-0.8 0, 0.0 -1,-0.2 -0.801 60.1 -95.3 -95.6 130.8 13.6 3.1 -0.3 7 7 A S B +B 25 0B 76 -2,-0.5 2,-0.3 18,-0.3 18,-0.3 -0.050 50.3 168.6 -44.2 133.5 17.2 4.5 -0.7 8 8 A b - 0 0 4 16,-2.2 3,-0.0 12,-0.1 -1,-0.0 -0.981 27.0-165.9-150.6 139.1 19.6 3.8 2.2 9 9 A S S S- 0 0 75 -2,-0.3 -1,-0.1 0, 0.0 16,-0.0 0.898 75.8 -57.1 -96.7 -56.0 23.4 4.2 2.5 10 10 A X S S- 0 0 110 14,-0.0 9,-0.2 0, 0.0 3,-0.1 0.101 122.8 -3.1-137.0 -68.2 23.9 2.1 5.6 11 11 A T S S+ 0 0 90 1,-0.1 -3,-0.0 2,-0.1 7,-0.0 -0.408 76.7 145.6-120.8 48.9 21.9 3.1 8.7 12 12 A S - 0 0 39 1,-0.1 -1,-0.1 2,-0.0 -5,-0.0 0.568 56.0-136.2 -63.7 -9.1 20.3 6.2 7.0 13 13 A Y + 0 0 193 2,-0.1 -11,-0.1 1,-0.1 -1,-0.1 0.634 65.2 133.1 59.0 15.8 17.2 5.3 9.2 14 14 A N S S+ 0 0 64 -13,-0.1 -12,-2.3 -7,-0.1 2,-0.3 0.753 70.1 37.6 -65.2 -24.1 15.1 6.1 6.0 15 15 A c B -a 2 0A 20 -14,-0.2 -12,-0.3 -12,-0.1 -2,-0.1 -0.971 64.4-148.0-132.6 146.1 13.3 2.8 6.7 16 16 A a S S+ 0 0 88 -14,-2.5 -13,-0.2 -2,-0.3 -1,-0.1 0.510 95.8 60.2 -85.1 -6.1 12.1 1.0 9.9 17 17 A R S S- 0 0 142 -15,-0.4 2,-0.3 1,-0.2 -13,-0.1 0.745 106.9 -75.2 -84.9-109.3 12.7 -2.3 8.0 18 18 A S - 0 0 67 -15,-0.5 9,-1.5 -10,-0.0 2,-0.8 -0.958 38.4 -97.9-153.4 163.6 16.3 -3.0 6.9 19 19 A b E -C 26 0B 34 -2,-0.3 2,-0.8 7,-0.2 7,-0.3 -0.795 26.4-146.4 -97.2 106.4 18.7 -1.8 4.1 20 20 A N E >>> -C 25 0B 29 5,-1.2 5,-1.7 -2,-0.8 4,-1.4 -0.586 11.9-162.0 -71.3 106.9 18.8 -4.2 1.1 21 21 A X T 345S+ 0 0 101 -2,-0.8 -1,-0.2 1,-0.2 5,-0.1 0.540 80.0 65.0 -77.1 -9.1 22.5 -3.7 0.1 22 22 A Y T 345S+ 0 0 198 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.878 118.3 24.8 -79.0 -40.7 22.1 -5.1 -3.5 23 23 A T T <45S- 0 0 77 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.549 103.2-127.3 -97.0 -13.3 19.8 -2.3 -4.6 24 24 A K T <5S+ 0 0 116 -4,-1.4 -16,-2.2 1,-0.3 2,-0.2 0.804 83.6 95.9 65.4 31.4 21.3 0.1 -1.9 25 25 A R E