==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-JUL-03 1Q2J . COMPND 2 MOLECULE: MU-CONOTOXIN SMIIIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.W.KEIZER,P.J.WEST,E.F.LEE,B.M.OLIVERA,G.BULAJ,D.YOSHIKAMI, . 22 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 5 22.7 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 . 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 . 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 PARALLEL 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 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 X 0 0 173 0, 0.0 18,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 166.9 27.2 33.0 23.4 2 2 A R + 0 0 172 7,-0.0 2,-2.4 16,-0.0 3,-0.4 0.213 360.0 30.2-142.5 -88.6 27.3 30.0 25.9 3 3 A a S S+ 0 0 20 1,-0.2 8,-0.1 6,-0.1 3,-0.1 -0.311 99.6 88.3 -79.4 61.5 28.6 26.5 25.0 4 4 A b + 0 0 41 -2,-2.4 -1,-0.2 6,-0.1 6,-0.0 0.095 61.0 78.8-145.0 27.4 31.2 27.9 22.6 5 5 A N S S+ 0 0 160 -3,-0.4 -2,-0.1 4,-0.0 -1,-0.0 -0.096 90.9 48.0-127.5 35.4 34.3 28.7 24.6 6 6 A G S S- 0 0 64 -3,-0.1 -3,-0.0 2,-0.0 -2,-0.0 0.133 106.7 -72.3-135.7-106.0 35.8 25.2 25.0 7 7 A R S S+ 0 0 257 -2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.582 111.6 19.7-134.7 -45.8 36.3 22.6 22.2 8 8 A R S S- 0 0 199 1,-0.0 3,-0.1 2,-0.0 -5,-0.0 0.875 70.1-149.8 -96.2 -75.3 33.0 21.0 21.1 9 9 A G + 0 0 7 1,-0.1 2,-1.7 13,-0.0 3,-0.3 -0.008 68.9 100.1 125.7 -28.9 30.0 23.2 22.0 10 10 A c + 0 0 55 1,-0.2 6,-0.1 12,-0.1 -1,-0.1 -0.607 37.4 149.1 -89.1 79.6 27.3 20.5 22.4 11 11 A S - 0 0 93 -2,-1.7 -1,-0.2 -8,-0.1 2,-0.2 0.802 69.6 -23.6 -84.8 -29.8 27.5 20.4 26.2 12 12 A S S S- 0 0 87 -3,-0.3 -9,-0.0 -9,-0.0 0, 0.0 -0.604 89.9 -64.0-151.3-144.0 23.8 19.4 26.7 13 13 A R S S+ 0 0 183 -2,-0.2 3,-0.2 1,-0.1 -3,-0.0 0.492 124.4 60.1 -96.9 -3.9 20.4 19.7 24.9 14 14 A W S S+ 0 0 98 1,-0.2 2,-2.2 2,-0.1 5,-0.4 0.727 82.6 76.7 -94.9 -26.4 20.5 23.5 25.0 15 15 A a S S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.1 6,-0.1 -0.244 83.4 72.8 -83.9 59.6 23.7 24.2 23.1 16 16 A R S S+ 0 0 134 -2,-2.2 -1,-0.2 -3,-0.2 6,-0.2 0.574 100.4 28.3-131.4 -55.2 22.0 23.5 19.7 17 17 A D S S+ 0 0 141 -3,-0.4 -2,-0.1 5,-0.1 3,-0.1 0.118 131.5 34.1-100.3 23.1 19.6 26.3 18.7 18 18 A H S S+ 0 0 81 1,-0.3 2,-0.7 -4,-0.3 -3,-0.1 0.497 107.5 57.1-137.6 -54.7 21.5 29.1 20.6 19 19 A S S S- 0 0 3 -5,-0.4 2,-3.5 -10,-0.1 -1,-0.3 -0.761 76.9-137.6 -88.4 117.4 25.2 28.5 20.6 20 20 A R S S+ 0 0 229 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.1 -0.217 82.5 92.5 -70.1 57.7 26.5 28.2 17.0 21 21 A b 0 0 40 -2,-3.5 -1,-0.2 -12,-0.1 -2,-0.1 -0.266 360.0 360.0-145.2 51.8 28.7 25.2 17.9 22 22 A c 0 0 110 -6,-0.2 -2,-0.1 -13,-0.1 -6,-0.1 0.268 360.0 360.0-166.9 360.0 26.6 22.1 17.3