==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 29-APR-07 2YYF . COMPND 2 MOLECULE: M-CONOTOXIN MR12; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.HUANG,W.DU,Y.HAN,C.WANG . 15 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 20.0 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 . 1 6.7 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 0 226 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.9 2.1 0.0 -0.9 2 2 A W - 0 0 207 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.974 360.0-174.6-112.9 117.1 1.6 -3.6 -2.1 3 3 A E - 0 0 156 -2,-0.5 8,-0.0 1,-0.0 2,-0.0 -0.938 28.6-116.7-106.1 132.5 2.0 -4.2 -5.8 4 4 A Y - 0 0 161 -2,-0.4 2,-0.3 1,-0.0 -1,-0.0 -0.282 27.7-141.1 -61.4 154.0 1.2 -7.7 -7.1 5 5 A H - 0 0 78 7,-0.0 6,-0.1 1,-0.0 5,-0.1 -0.903 16.3-108.4-121.1 147.9 4.1 -9.7 -8.7 6 6 A A - 0 0 16 -2,-0.3 5,-0.1 4,-0.2 7,-0.1 -0.344 16.2-142.2 -69.3 154.9 4.0 -12.0 -11.8 7 7 A H S S+ 0 0 171 1,-0.1 -1,-0.1 3,-0.1 4,-0.1 0.944 96.6 33.1 -80.5 -57.9 4.4 -15.8 -11.4 8 8 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.722 124.8 40.7 -81.1 -22.4 6.6 -16.8 -14.5 9 9 A K S S- 0 0 123 1,-0.1 5,-0.1 2,-0.0 2,-0.0 -0.801 91.7-103.9-113.7 162.7 8.6 -13.5 -14.5 10 10 A X - 0 0 100 -2,-0.3 4,-0.3 -5,-0.1 -4,-0.2 -0.215 40.4 -93.5 -77.1 177.1 10.1 -11.5 -11.5 11 11 A N S > S+ 0 0 87 1,-0.2 3,-1.7 2,-0.2 -5,-0.1 0.979 123.6 27.4 -55.6 -81.2 8.7 -8.2 -10.2 12 12 A S G > S+ 0 0 83 1,-0.3 3,-2.5 2,-0.1 -1,-0.2 0.693 101.5 93.4 -60.1 -18.9 10.6 -5.4 -12.0 13 13 A X G 3 + 0 0 125 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.617 65.7 76.7 -46.3 -24.2 10.9 -8.1 -14.8 14 14 A W G < 0 0 142 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.1 0.718 360.0 360.0 -60.8 -24.7 7.8 -6.6 -16.4 15 15 A T < 0 0 161 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.920 360.0 360.0 -67.1 360.0 9.9 -3.7 -17.7