==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-AUG-06 2J15 . COMPND 2 MOLECULE: MAI126P; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.S.LOVELACE,C.J.ARMISHAW,M.L.COLGRAVE,M.E.WALSTROM, . 15 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 40.0 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 . 4 26.7 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 . 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 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 123 0, 0.0 2,-0.3 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 -32.2 7.8 -3.6 -7.0 2 2 A G - 0 0 30 9,-0.0 11,-1.9 2,-0.0 2,-0.4 -0.960 360.0 -49.6 175.2-160.4 4.1 -2.7 -7.0 3 3 A V E -A 12 0A 95 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.863 42.6-167.6-106.9 137.4 1.2 -1.5 -4.9 4 4 A a E -A 11 0A 56 7,-3.0 7,-3.1 -2,-0.4 2,-0.5 -0.977 11.5-145.2-125.9 136.1 0.2 -3.2 -1.6 5 5 A b E +A 10 0A 95 -2,-0.4 5,-0.3 5,-0.3 -2,-0.0 -0.876 37.4 138.3-103.5 125.3 -3.0 -2.7 0.3 6 6 A G + 0 0 55 3,-1.7 2,-3.1 -2,-0.5 -1,-0.1 0.348 63.9 26.4-124.8-102.7 -2.7 -2.8 4.1 7 7 A Y S S- 0 0 157 2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.324 128.6 -68.4 -70.9 59.9 -4.4 -0.6 6.7 8 8 A K S S+ 0 0 206 -2,-3.1 2,-0.3 1,-0.1 -1,-0.2 0.760 120.6 96.4 56.8 30.6 -7.3 0.1 4.2 9 9 A L - 0 0 102 2,-0.1 -3,-1.7 -5,-0.0 2,-0.4 -0.933 66.3-144.3-150.7 121.2 -4.8 2.1 2.1 10 10 A b E +A 5 0A 70 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.722 31.3 156.2 -89.6 133.2 -2.9 0.8 -0.9 11 11 A H E -A 4 0A 75 -7,-3.1 -7,-3.0 -2,-0.4 -2,-0.1 -0.981 50.8 -73.0-151.4 155.8 0.6 2.1 -1.4 12 12 A X E -A 3 0A 103 -2,-0.3 -9,-0.3 -9,-0.3 0, 0.0 -0.263 36.0-154.3 -54.5 130.2 3.8 1.0 -3.1 13 13 A a S S- 0 0 52 -11,-1.9 -1,-0.1 1,-0.1 -10,-0.1 0.959 76.1 -35.7 -71.8 -54.1 5.4 -1.9 -1.2 14 14 A A 0 0 90 -12,-0.4 -11,-0.1 0, 0.0 -1,-0.1 -0.039 360.0 360.0-166.2 42.9 9.0 -1.3 -2.4 15 15 A G 0 0 79 -13,-0.4 -12,-0.1 -14,-0.1 -3,-0.0 0.446 360.0 360.0 78.4 360.0 8.9 -0.1 -5.9