==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 31-MAY-07 2JQC . COMPND 2 MOLECULE: L-MR12; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.HUANG,W.DU,Y.HAN,C.WANG,C.CHI . 15 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2187.0 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 . 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 . 1 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 26.7 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 D 0 0 188 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.1 -1.1 1.0 -1.6 2 2 A W - 0 0 239 3,-0.0 3,-0.1 0, 0.0 2,-0.0 -0.982 360.0-145.2-144.3 127.0 0.3 -1.8 -3.8 3 3 A E - 0 0 184 -2,-0.3 2,-0.2 1,-0.2 0, 0.0 -0.191 48.9 -67.3 -72.4 175.9 3.1 -1.8 -6.4 4 4 A Y - 0 0 166 1,-0.1 -1,-0.2 -2,-0.0 0, 0.0 -0.513 60.5-111.8 -70.0 134.1 3.1 -3.8 -9.6 5 5 A H - 0 0 118 -2,-0.2 2,-1.8 1,-0.1 -1,-0.1 -0.171 32.3 -94.3 -65.3 160.4 3.3 -7.6 -8.9 6 6 A A - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.571 46.6-152.6 -78.3 81.2 6.3 -9.8 -9.9 7 7 A H - 0 0 112 -2,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.357 20.5-112.5 -54.1 134.3 5.0 -10.9 -13.2 8 8 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.214 26.4 -98.4 -73.5 160.9 6.5 -14.4 -14.1 9 9 A K > - 0 0 157 1,-0.1 3,-0.9 2,-0.0 4,-0.1 -0.687 27.1-154.9 -76.6 123.2 9.0 -15.2 -16.9 10 10 A X G > S+ 0 0 111 -2,-0.5 3,-1.8 1,-0.2 4,-0.2 0.676 82.3 81.5 -76.7 -15.5 6.9 -16.6 -19.9 11 11 A N G > S+ 0 0 110 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.788 73.9 75.7 -58.1 -29.2 9.9 -18.6 -21.2 12 12 A S G X S+ 0 0 72 -3,-0.9 3,-1.2 1,-0.3 -1,-0.3 0.572 71.8 83.3 -67.3 -8.2 9.2 -21.4 -18.7 13 13 A F G < S+ 0 0 164 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.786 91.1 51.9 -55.2 -30.0 6.3 -22.5 -20.9 14 14 A W G < 0 0 201 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.400 360.0 360.0 -93.9 -1.2 9.1 -24.4 -22.9 15 15 A T < 0 0 171 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.947 360.0 360.0 -71.1 360.0 10.5 -26.2 -19.8