==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-MAR-12 2LR9 . COMPND 2 MOLECULE: RHO-CONOTOXIN TIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.ROSENGREN,R.J.LEWIS . 19 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 63.2 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 26.3 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 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 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 F 0 0 141 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 143.6 3.2 6.2 -5.6 2 2 A N > - 0 0 74 1,-0.2 3,-1.9 2,-0.0 4,-0.3 -0.764 360.0-174.6 -91.8 97.3 -0.4 5.3 -4.9 3 3 A W G > S+ 0 0 153 -2,-1.1 3,-1.6 1,-0.3 4,-0.3 0.745 79.8 74.2 -61.5 -22.3 -1.0 6.0 -1.2 4 4 A R G >> S+ 0 0 147 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.743 80.3 72.3 -63.2 -22.9 -4.4 4.4 -1.6 5 5 A a G X4 S+ 0 0 10 -3,-1.9 3,-1.0 1,-0.3 7,-0.8 0.843 87.8 61.4 -60.5 -32.4 -2.6 1.1 -1.8 6 6 A b G <4 S+ 0 0 27 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.648 102.7 51.4 -70.9 -13.5 -2.0 1.5 2.0 7 7 A L G <4 S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.580 101.1 71.8 -95.5 -12.8 -5.8 1.5 2.4 8 8 A I S XX S- 0 0 91 -3,-1.0 4,-3.4 -4,-0.6 3,-1.3 -0.903 73.3-151.1-109.8 109.0 -6.0 -1.7 0.4 9 9 A P H 3> S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.793 97.1 56.2 -45.8 -36.1 -4.7 -4.8 2.2 10 10 A A H 34 S+ 0 0 83 2,-0.2 4,-0.5 1,-0.2 -5,-0.1 0.869 117.5 32.0 -68.2 -37.1 -3.8 -6.4 -1.1 11 11 A a H <> S+ 0 0 34 -3,-1.3 4,-2.1 -6,-0.3 3,-0.4 0.814 115.9 57.2 -89.8 -33.0 -1.6 -3.5 -2.2 12 12 A R H < S+ 0 0 94 -4,-3.4 7,-0.2 -7,-0.8 -2,-0.2 0.805 99.7 61.4 -65.9 -30.6 -0.4 -2.6 1.3 13 13 A R T < S+ 0 0 186 -4,-1.5 3,-0.4 -5,-0.4 -1,-0.2 0.853 112.4 36.2 -64.1 -35.2 0.9 -6.1 1.7 14 14 A N T 4 S+ 0 0 118 -4,-0.5 3,-0.3 -3,-0.4 -2,-0.2 0.756 123.3 43.7 -89.1 -26.8 3.3 -5.5 -1.2 15 15 A H S X S+ 0 0 44 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 -0.121 71.2 125.7-110.8 36.7 4.0 -1.9 -0.3 16 16 A K T 4 S+ 0 0 112 -3,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.740 72.3 58.0 -65.7 -23.0 4.4 -2.5 3.4 17 17 A K T 4 S+ 0 0 208 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.850 110.6 40.9 -75.2 -35.1 7.7 -0.8 3.2 18 18 A F T 4 0 0 144 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.905 360.0 360.0 -78.6 -44.8 6.2 2.4 1.8 19 19 A b < 0 0 47 -4,-2.6 -1,-0.2 -7,-0.2 -4,-0.0 -0.631 360.0 360.0 -90.8 360.0 3.2 2.5 4.1