==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 02-OCT-02 1MXN . COMPND 2 MOLECULE: ALPHA-CONOTOXIN AUIB; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.L.DUTTON,P.S.BANSAL,R.C.HOGG,D.J.ADAMS,P.F.ALEWOOD, . 15 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 60.0 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 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 26.7 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 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 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 0 119 0, 0.0 3,-0.6 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 144.5 -2.4 5.8 -2.9 2 2 A a G > + 0 0 57 1,-0.2 3,-1.9 2,-0.1 7,-0.3 0.200 360.0 121.8 -79.4 17.5 -4.3 2.7 -1.6 3 3 A b G 3 + 0 0 45 1,-0.3 -1,-0.2 5,-0.2 6,-0.1 0.719 66.6 62.5 -51.9 -25.3 -2.1 2.8 1.6 4 4 A S G < S+ 0 0 118 -3,-0.6 -1,-0.3 4,-0.1 -2,-0.1 0.146 88.8 82.8 -89.8 18.6 -5.3 3.1 3.7 5 5 A Y S X> S- 0 0 134 -3,-1.9 4,-2.4 1,-0.1 3,-0.8 -0.991 81.6-132.6-126.7 121.4 -6.6 -0.3 2.5 6 6 A P H 3> S+ 0 0 101 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.791 101.8 45.8 -47.8 -51.1 -5.2 -3.4 4.4 7 7 A P H 3> S+ 0 0 68 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.862 116.1 47.6 -63.4 -35.9 -4.1 -5.6 1.4 8 8 A a H X> S+ 0 0 42 -3,-0.8 4,-0.7 -6,-0.3 3,-0.6 0.907 112.3 48.3 -70.8 -39.8 -2.5 -2.7 -0.4 9 9 A F H 3< S+ 0 0 76 -4,-2.4 6,-0.2 -7,-0.3 -1,-0.2 0.774 102.7 64.8 -69.6 -24.2 -0.7 -1.7 2.8 10 10 A A H 3< S+ 0 0 72 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.826 106.3 41.8 -67.6 -30.4 0.3 -5.4 3.1 11 11 A T H << S+ 0 0 121 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.586 126.9 36.0 -89.9 -12.3 2.4 -5.0 -0.1 12 12 A N >< + 0 0 69 -4,-0.7 3,-1.4 -5,-0.1 -1,-0.2 -0.559 63.8 153.1-138.8 68.2 3.6 -1.6 1.2 13 13 A P T 3 + 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.698 69.0 75.0 -69.5 -18.9 4.0 -1.9 5.0 14 14 A D T 3 0 0 153 1,-0.2 -4,-0.1 -3,-0.1 -5,-0.0 0.452 360.0 360.0 -73.3 -1.1 6.6 0.9 4.7 15 15 A b < 0 0 80 -3,-1.4 -1,-0.2 -6,-0.2 -6,-0.0 0.437 360.0 360.0 -89.0 360.0 3.8 3.4 4.2