==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-JAN-00 1DW5 . COMPND 2 MOLECULE: OMEGA-CONOTOXIN MVIIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.A.ATKINSON,B.KIEFFER,A.DEJAEGERE,F.SIROCKIN,J.-F.LEFEVRE . 25 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 8.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 4.0 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 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 12.0 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+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 . 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 0 121 0, 0.0 2,-0.2 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 162.8 9.7 2.9 -5.0 2 2 A K B -a 15 0A 111 12,-2.1 14,-4.3 1,-0.0 15,-0.4 -0.581 360.0-129.1 -96.5 162.8 6.1 4.1 -4.6 3 3 A G > - 0 0 42 1,-0.2 3,-1.3 12,-0.2 22,-0.3 -0.704 43.2 -71.3-107.1 161.7 4.9 6.9 -2.2 4 4 A K T 3 S+ 0 0 149 1,-0.3 -1,-0.2 -2,-0.2 16,-0.1 0.029 124.4 27.8 -43.6 159.8 2.1 6.7 0.3 5 5 A G T 3 S+ 0 0 52 20,-1.3 -1,-0.3 1,-0.2 3,-0.1 0.677 83.4 130.6 58.0 12.1 -1.4 6.7 -1.3 6 6 A A < - 0 0 38 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.1 0.279 69.3-123.1 -79.9 16.5 0.4 5.0 -4.3 7 7 A K + 0 0 155 18,-0.2 17,-0.3 14,-0.1 2,-0.3 0.380 48.7 149.4 56.3 155.0 -2.3 2.3 -4.2 8 8 A b - 0 0 36 15,-1.7 2,-0.1 14,-0.1 17,-0.1 -0.892 37.3 -99.2 178.4-147.3 -1.3 -1.3 -3.9 9 9 A S - 0 0 67 -2,-0.3 2,-0.7 15,-0.1 14,-0.2 -0.378 56.6 -53.5-137.3-142.5 -2.7 -4.6 -2.5 10 10 A R S S- 0 0 195 1,-0.3 11,-0.0 -2,-0.1 14,-0.0 -0.851 115.6 -5.4-112.3 100.6 -2.3 -6.7 0.7 11 11 A L S S+ 0 0 100 -2,-0.7 -1,-0.3 9,-0.0 8,-0.0 0.940 82.1 131.7 84.0 77.3 1.4 -7.5 1.3 12 12 A M - 0 0 105 -3,-0.2 -2,-0.1 3,-0.0 7,-0.0 0.629 48.9-146.6-125.1 -40.4 3.4 -6.2 -1.7 13 13 A Y + 0 0 160 1,-0.0 6,-0.1 5,-0.0 12,-0.0 0.962 58.6 120.5 70.7 52.5 6.3 -4.2 -0.1 14 14 A D + 0 0 48 -13,-0.1 -12,-2.1 -11,-0.0 5,-0.1 0.613 32.7 114.5-116.8 -23.8 6.6 -1.5 -2.8 15 15 A c B > -a 2 0A 17 -14,-0.2 3,-0.7 1,-0.2 -12,-0.2 -0.236 67.9-136.4 -50.8 126.9 6.0 1.6 -0.7 16 16 A a T 3 S+ 0 0 75 -14,-4.3 -1,-0.2 1,-0.3 -13,-0.1 0.816 97.9 8.6 -58.2 -27.4 9.2 3.6 -0.7 17 17 A T T 3 S+ 0 0 125 -15,-0.4 2,-0.3 2,-0.1 -1,-0.3 -0.458 128.9 11.4-154.3 75.5 8.6 4.1 3.1 18 18 A G S < S- 0 0 51 -3,-0.7 2,-0.2 -2,-0.0 -3,-0.1 -0.961 74.5 -91.2 149.5-167.2 5.8 2.1 4.6 19 19 A S - 0 0 80 -2,-0.3 2,-0.7 -6,-0.1 -2,-0.1 -0.534 59.4 -53.4-127.4-164.5 3.4 -0.8 3.7 20 20 A b - 0 0 18 5,-0.2 2,-0.6 -2,-0.2 5,-0.3 -0.646 53.5-174.2 -79.4 116.3 -0.1 -1.2 2.2 21 21 A R B > S-B 24 0B 147 3,-3.1 3,-1.4 -2,-0.7 -14,-0.1 -0.924 71.1 -14.2-114.8 115.8 -2.5 1.0 4.1 22 22 A S T 3 S- 0 0 98 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.867 130.5 -52.2 66.0 33.9 -6.2 0.6 3.1 23 23 A G T 3 S+ 0 0 39 1,-0.3 -15,-1.7 -14,-0.2 -1,-0.3 0.335 130.9 81.4 84.8 -11.4 -5.3 -1.3 -0.1 24 24 A K B < B 21 0B 104 -3,-1.4 -3,-3.1 -17,-0.3 -1,-0.3 -0.548 360.0 360.0-115.4-175.5 -2.9 1.6 -1.0 25 25 A c 0 0 5 -5,-0.3 -20,-1.3 -22,-0.3 -5,-0.2 -0.221 360.0 360.0 -73.8 360.0 0.7 2.4 0.0