==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN INHIBITOR, TOXIN 02-SEP-07 2JUR . COMPND 2 MOLECULE: ALPHA-CONOTOXIN RGIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.FENG,M.ELLISON . 13 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 38.5 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 . 1 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 23.1 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 G 0 0 129 0, 0.0 11,-0.0 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 163.6 -0.1 5.2 -6.3 2 2 A a > + 0 0 36 6,-0.1 3,-1.6 7,-0.0 6,-0.7 0.111 360.0 83.3 178.0 -39.4 -0.8 1.7 -5.0 3 3 A b T 3 S+ 0 0 79 1,-0.3 5,-0.1 4,-0.1 8,-0.1 0.917 87.5 62.4 -51.3 -44.2 0.3 1.4 -1.4 4 4 A S T 3 S+ 0 0 121 3,-0.1 -1,-0.3 2,-0.0 5,-0.0 0.848 100.3 68.0 -52.9 -31.3 -3.0 3.0 -0.3 5 5 A E S X S- 0 0 112 -3,-1.6 3,-0.5 1,-0.1 -3,-0.0 -0.535 88.8-124.6 -90.0 159.8 -4.7 -0.0 -1.8 6 6 A P G > S+ 0 0 122 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.757 104.5 71.3 -72.8 -26.2 -4.5 -3.6 -0.5 7 7 A R G 3 S+ 0 0 206 1,-0.3 2,-0.7 -5,-0.1 4,-0.1 0.853 99.9 48.5 -61.1 -31.5 -3.3 -4.9 -3.8 8 8 A a G < + 0 0 14 -6,-0.7 -1,-0.3 -3,-0.5 -6,-0.1 -0.573 69.0 146.8-109.6 72.2 0.1 -3.2 -3.3 9 9 A R S < S- 0 0 187 -2,-0.7 -1,-0.1 -3,-0.5 -2,-0.1 0.974 87.3 -4.4 -68.3 -81.7 1.0 -4.2 0.3 10 10 A Y S S+ 0 0 179 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.526 128.0 74.3 -90.5 -4.7 4.9 -4.5 0.2 11 11 A R + 0 0 181 -4,-0.1 -1,-0.1 -9,-0.1 -3,-0.1 0.988 69.6 88.8 -71.8 -60.2 5.0 -3.8 -3.5 12 12 A b 0 0 24 1,-0.1 -10,-0.0 -4,-0.1 -4,-0.0 -0.076 360.0 360.0 -39.8 126.5 4.2 -0.0 -3.6 13 13 A R 0 0 288 -12,-0.0 -1,-0.1 0, 0.0 -11,-0.0 0.916 360.0 360.0 -90.2 360.0 7.6 1.8 -3.2