==== 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 03-OCT-02 1MXP . 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) . 1336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 33.3 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 . 1 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 6.7 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-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 13.3 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 G 0 0 91 0, 0.0 11,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 23.1 -4.0 4.9 4.4 2 2 A a + 0 0 81 9,-0.4 2,-0.7 1,-0.2 10,-0.2 0.927 360.0 48.5 -55.7 -49.4 -3.4 4.0 0.7 3 3 A b - 0 0 20 8,-2.6 -1,-0.2 1,-0.2 5,-0.0 -0.864 63.7-174.3-101.1 103.9 -4.0 0.3 1.5 4 4 A S + 0 0 111 -2,-0.7 -1,-0.2 -3,-0.1 4,-0.1 0.878 63.6 87.0 -62.6 -41.8 -7.2 -0.3 3.5 5 5 A Y S S- 0 0 185 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.084 89.7-112.9 -56.9 156.4 -6.4 -4.0 3.8 6 6 A P S S+ 0 0 125 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.947 97.0 76.9 -57.0 -55.8 -4.2 -5.4 6.7 7 7 A P + 0 0 104 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.432 62.9 118.1 -72.1 93.7 -1.0 -6.5 4.7 8 8 A b - 0 0 31 -2,-1.2 0, 0.0 1,-0.2 0, 0.0 -0.954 57.6-141.4-150.4 135.5 0.7 -3.2 4.0 9 9 A F S S- 0 0 147 3,-1.2 -1,-0.2 -2,-0.3 5,-0.0 0.991 96.4 -7.2 -67.1 -73.2 4.3 -2.3 5.3 10 10 A A S S- 0 0 66 2,-0.5 -2,-0.1 0, 0.0 -1,-0.0 0.946 135.8 -50.6 -81.9 -61.7 3.8 1.4 6.2 11 11 A T S S+ 0 0 42 1,-0.4 -8,-2.6 -4,-0.1 -9,-0.4 0.069 119.5 20.8-169.3 30.3 0.3 1.8 4.7 12 12 A N S > S- 0 0 34 -10,-0.2 -3,-1.2 -11,-0.1 -2,-0.5 -0.933 88.0 -89.7-177.2 163.2 0.6 0.3 1.1 13 13 A P T 3 S+ 0 0 105 0, 0.0 -5,-0.1 0, 0.0 -1,-0.0 0.513 132.6 14.8 -51.1 -13.7 2.6 -1.9 -1.2 14 14 A D T 3 0 0 132 1,-0.0 -6,-0.0 -5,-0.0 0, 0.0 -0.123 360.0 360.0-165.0 56.9 4.3 1.5 -1.7 15 15 A a < 0 0 62 -3,-0.5 -13,-0.1 -12,-0.0 -12,-0.1 -0.318 360.0 360.0-144.2 360.0 3.6 4.2 0.9