==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-JAN-06 2FRB . COMPND 2 MOLECULE: ALPHA-CONOTOXIN GIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.S.PASHKOV,I.MASLENNIKOV,I.V.KASHEVEROV,M.N.ZHMAK, . 13 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 23.1 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 . 2 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 E 0 0 229 0, 0.0 12,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 78.1 -2.0 6.5 1.3 2 2 A a + 0 0 39 10,-0.3 2,-0.1 9,-0.1 5,-0.0 -0.237 360.0 170.3 161.8 102.7 0.6 4.1 0.1 3 3 A b + 0 0 74 8,-0.1 8,-0.1 10,-0.1 10,-0.1 -0.552 52.8 73.1-129.4 64.9 3.4 4.8 -2.3 4 4 A X S > S- 0 0 243 -2,-0.1 3,-1.6 8,-0.0 4,-0.2 -0.936 75.5-120.5-165.4 159.0 5.8 1.7 -2.3 5 5 A P T 3 S+ 0 0 118 0, 0.0 3,-0.2 0, 0.0 6,-0.1 0.440 110.1 69.5 -75.0 0.5 6.1 -1.9 -3.5 6 6 A A T 3 S+ 0 0 49 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 0.308 81.2 73.9 -98.4 5.3 6.4 -2.8 0.2 7 7 A a S < S- 0 0 30 -3,-1.6 2,-0.6 1,-0.3 3,-0.2 0.658 100.8-131.3 -89.0 -20.1 2.8 -1.9 0.8 8 8 A G - 0 0 56 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.2 -0.936 62.3 -25.2 112.2-118.3 1.7 -5.1 -1.0 9 9 A R S S+ 0 0 216 -2,-0.6 -1,-0.2 1,-0.1 -3,-0.0 0.245 125.9 74.2-116.3 7.2 -1.0 -4.8 -3.7 10 10 A H + 0 0 140 -3,-0.2 2,-2.2 -6,-0.1 -1,-0.1 0.028 56.7 142.5-107.3 23.3 -2.5 -1.6 -2.3 11 11 A Y + 0 0 132 -3,-0.2 2,-0.4 -8,-0.1 -8,-0.1 -0.449 24.4 152.9 -68.3 81.1 0.3 0.5 -3.5 12 12 A S 0 0 86 -2,-2.2 -10,-0.3 1,-0.1 -2,-0.1 -0.952 360.0 360.0-118.4 134.1 -1.8 3.5 -4.5 13 13 A b 0 0 129 -2,-0.4 -10,-0.1 -12,-0.1 -1,-0.1 0.080 360.0 360.0-124.9 360.0 -0.6 7.1 -4.6