==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 23-SEP-12 2LZ5 . COMPND 2 MOLECULE: CONOTOXIN_TXIB; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.LUO,D.ZHANGSUN,Y.WU,X.ZHU,Y.HU,M.MCINTYRE,S.CHRISTENSEN,M. . 16 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 50.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 18.8 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 98 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 104.0 -6.4 5.1 -3.3 2 2 A a G >4 + 0 0 61 1,-0.3 3,-1.4 2,-0.2 6,-0.3 0.961 360.0 45.6 -62.5 -52.5 -3.5 2.7 -3.8 3 3 A b G 34 S+ 0 0 65 1,-0.3 -1,-0.3 6,-0.1 6,-0.1 0.521 111.9 54.0 -74.5 -4.1 -2.0 3.2 -0.4 4 4 A S G <4 S+ 0 0 102 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.586 96.5 78.1 -98.4 -14.6 -5.4 2.9 1.2 5 5 A D S X< S- 0 0 79 -3,-1.4 3,-0.9 -4,-0.8 5,-0.2 -0.854 80.3-139.6-100.1 117.4 -5.9 -0.4 -0.6 6 6 A P G >> S+ 0 0 64 0, 0.0 4,-3.7 0, 0.0 3,-1.7 0.849 100.9 45.6 -46.8 -50.9 -4.1 -3.3 1.1 7 7 A P G 34 S+ 0 0 72 0, 0.0 4,-0.5 0, 0.0 -4,-0.1 0.815 117.0 47.5 -64.5 -24.6 -2.8 -5.2 -2.1 8 8 A a G <4 S+ 0 0 41 -3,-0.9 -3,-0.1 -6,-0.3 -4,-0.0 0.295 122.3 36.8 -95.7 7.9 -1.8 -1.8 -3.4 9 9 A R T X4 S+ 0 0 102 -3,-1.7 3,-1.9 -4,-0.1 7,-0.3 0.685 109.7 53.6-123.1 -51.0 -0.1 -1.0 -0.1 10 10 A N T 3< S+ 0 0 129 -4,-3.7 -2,-0.1 1,-0.3 -7,-0.0 0.738 108.6 53.0 -64.8 -23.1 1.5 -4.2 1.2 11 11 A K T 3 S+ 0 0 158 -4,-0.5 -1,-0.3 -5,-0.4 -3,-0.1 0.454 108.8 53.9 -89.3 0.5 3.3 -4.7 -2.0 12 12 A H <> + 0 0 79 -3,-1.9 4,-2.4 4,-0.2 3,-0.5 -0.467 61.9 154.9-133.7 60.8 4.7 -1.2 -1.6 13 13 A P T 4 + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.430 64.9 68.9 -77.9 1.1 6.3 -1.1 1.9 14 14 A D T 4 S+ 0 0 158 2,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.924 117.5 17.9 -82.0 -50.3 8.6 1.7 1.1 15 15 A L T 4 0 0 129 -3,-0.5 -1,-0.1 1,-0.3 -6,-0.0 0.775 360.0 360.0 -89.9 -30.1 6.0 4.4 0.8 16 16 A b < 0 0 50 -4,-2.4 -1,-0.3 -7,-0.3 -4,-0.2 -0.826 360.0 360.0-122.0 360.0 3.4 2.5 2.7