==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-JUL-00 1FEO . COMPND 2 MOLECULE: OMEGA-CONOTOXIN MVIIA-GLY; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.P.GOLDENBERG,R.E.KOEHN,D.E.GILBERT,G.WAGNER . 26 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 19.2 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 . 2 7.7 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 . 1 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.7 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+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 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 94 0, 0.0 14,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 177.4 1.6 -0.1 -8.3 2 2 A K B -a 15 0A 114 12,-2.0 14,-2.9 4,-0.1 15,-0.5 -0.822 360.0 -94.8-120.8 160.4 2.8 2.5 -5.9 3 3 A G > - 0 0 49 -2,-0.3 3,-1.0 12,-0.2 22,-0.3 -0.571 56.0 -88.2 -76.6 131.8 6.1 3.1 -4.2 4 4 A K T 3 S+ 0 0 140 -2,-0.3 22,-0.3 1,-0.3 -1,-0.1 -0.112 121.7 36.5 -40.1 115.9 6.4 1.7 -0.7 5 5 A G T 3 S+ 0 0 45 20,-0.7 2,-0.5 1,-0.3 -1,-0.3 0.492 85.0 131.9 110.8 11.4 5.1 4.4 1.5 6 6 A A < - 0 0 25 -3,-1.0 19,-2.0 1,-0.1 -1,-0.3 -0.852 70.0-100.0 -99.9 127.1 2.4 5.6 -0.8 7 7 A K B -B 24 0B 182 -2,-0.5 17,-0.2 17,-0.2 2,-0.1 -0.167 52.5-179.0 -44.8 123.2 -1.1 6.1 0.6 8 8 A b - 0 0 21 15,-2.4 2,-0.2 1,-0.1 -1,-0.1 -0.307 20.6-104.5-112.0-163.5 -3.1 3.0 -0.3 9 9 A S - 0 0 74 -2,-0.1 3,-0.2 15,-0.0 -1,-0.1 -0.490 53.3 -65.6-116.4-173.2 -6.6 1.8 0.2 10 10 A R S S- 0 0 240 1,-0.2 2,-0.1 -2,-0.2 13,-0.1 0.884 109.4 -44.8 -38.3 -56.4 -8.4 -0.7 2.5 11 11 A L S S+ 0 0 110 8,-0.0 -1,-0.2 12,-0.0 8,-0.0 -0.431 81.4 132.3 174.8 103.3 -6.6 -3.5 0.7 12 12 A M - 0 0 137 -3,-0.2 -2,-0.1 -2,-0.1 7,-0.0 0.129 64.4-118.7-144.6 16.9 -6.1 -3.9 -3.0 13 13 A Y + 0 0 165 1,-0.1 6,-0.1 -4,-0.1 -2,-0.0 0.898 55.5 152.0 36.7 83.8 -2.4 -4.7 -3.3 14 14 A D + 0 0 56 -5,-0.1 -12,-2.0 -13,-0.0 2,-0.3 -0.004 31.4 115.6-126.8 24.6 -1.3 -1.8 -5.3 15 15 A c B -a 2 0A 17 3,-0.7 -12,-0.2 -14,-0.3 5,-0.1 -0.687 60.1-146.2 -97.0 150.9 2.3 -1.6 -4.1 16 16 A a S S+ 0 0 82 -14,-2.9 -13,-0.1 -2,-0.3 -1,-0.1 0.668 101.7 39.1 -86.2 -20.2 5.3 -2.2 -6.2 17 17 A T S S- 0 0 73 -15,-0.5 2,-0.1 2,-0.1 -14,-0.1 0.922 128.3 -62.5 -90.6 -67.8 7.1 -3.8 -3.3 18 18 A G S S- 0 0 32 1,-0.4 -3,-0.7 3,-0.0 2,-0.1 -0.093 78.5 -37.8-146.1-112.4 4.5 -5.8 -1.4 19 19 A S S S- 0 0 49 7,-1.4 7,-3.8 1,-0.2 -1,-0.4 -0.274 75.0 -57.6-113.7-160.0 1.2 -4.8 0.4 20 20 A b E -C 25 0B 30 5,-0.3 5,-0.3 -2,-0.1 2,-0.2 -0.498 39.0-161.6 -84.1 155.6 0.1 -1.9 2.5 21 21 A R E > S-C 24 0B 171 3,-1.6 3,-0.6 -2,-0.2 -1,-0.0 -0.713 75.7 -31.3-142.4 86.4 1.9 -0.9 5.7 22 22 A S T 3 S- 0 0 133 -2,-0.2 3,-0.1 1,-0.2 -15,-0.0 0.779 127.5 -45.0 74.1 28.1 -0.2 1.3 8.0 23 23 A G T 3 S+ 0 0 32 1,-0.2 -15,-2.4 -14,-0.1 2,-0.5 0.319 128.2 97.9 95.9 -5.3 -1.9 2.8 5.0 24 24 A K E < S-BC 7 21B 120 -3,-0.6 -3,-1.6 -17,-0.2 -17,-0.2 -0.974 84.6-105.1-120.7 126.7 1.4 3.2 3.2 25 25 A c E C 0 20B 4 -19,-2.0 -20,-0.7 -2,-0.5 -5,-0.3 -0.007 360.0 360.0 -43.4 148.7 2.6 0.7 0.6 26 26 A G 0 0 33 -7,-3.8 -7,-1.4 -22,-0.3 -11,-0.1 -0.850 360.0 360.0 175.7 360.0 5.3 -1.6 1.9