==== 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 2JQB . COMPND 2 MOLECULE: 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) . 2328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 26.7 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 . 2 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 13.3 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 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.6 -1.4 -0.1 -2.1 2 2 A W + 0 0 247 2,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.043 360.0 150.1-140.9 29.9 0.7 3.0 -3.2 3 3 A E - 0 0 175 4,-0.0 2,-0.2 1,-0.0 0, 0.0 -0.558 23.6-173.2 -72.0 122.5 1.1 2.3 -6.9 4 4 A Y - 0 0 182 -2,-0.4 3,-0.2 1,-0.1 -2,-0.1 -0.559 26.6-145.3-106.4 176.9 1.3 5.6 -8.9 5 5 A H S S+ 0 0 180 -2,-0.2 2,-1.6 1,-0.1 -1,-0.1 0.791 98.0 41.5-103.8 -64.3 1.4 6.5 -12.6 6 6 A A S S- 0 0 85 3,-0.0 -1,-0.1 0, 0.0 3,-0.1 -0.418 88.4-178.4 -87.4 56.2 3.7 9.6 -12.7 7 7 A H - 0 0 131 -2,-1.6 -4,-0.0 -3,-0.2 0, 0.0 -0.165 32.6 -82.0 -53.6 154.8 6.2 8.0 -10.2 8 8 A P - 0 0 125 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.150 40.9-126.6 -67.6 153.4 9.3 10.0 -9.1 9 9 A K - 0 0 147 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.434 14.3-124.7 -92.0 166.3 12.5 10.2 -11.1 10 10 A X S S- 0 0 139 -2,-0.1 2,-1.8 1,-0.1 3,-0.4 0.650 85.8 -6.3 -80.9-118.3 16.1 9.4 -10.0 11 11 A N S > S+ 0 0 110 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 -0.124 81.0 138.3 -79.4 43.2 18.9 12.0 -10.3 12 12 A S G > + 0 0 23 -2,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.756 55.7 79.0 -62.1 -23.1 16.7 14.5 -12.3 13 13 A X G 3 S+ 0 0 206 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.504 83.5 65.5 -61.4 -9.8 18.3 17.4 -10.2 14 14 A W G < 0 0 221 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.329 360.0 360.0 -98.1 0.1 21.3 17.2 -12.5 15 15 A T < 0 0 171 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.1 0.832 360.0 360.0 -64.2 360.0 19.4 18.3 -15.7