==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ION CHANNEL INHIBITOR 10-APR-06 2CK5 . COMPND 2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.7; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.ALPHONSE,S.MOUHAT,J.M.SABATIER,H.DARBON,C.BERNARD . 31 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 80.6 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 . 8 25.8 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 3.2 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 . 3 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 12.9 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 1 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 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 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 a 0 0 53 0, 0.0 21,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 140.1 7.5 1.9 -3.4 2 2 A K + 0 0 144 1,-0.3 21,-1.1 22,-0.1 2,-0.3 0.692 360.0 30.0-108.0 -39.0 10.1 1.3 -0.7 3 3 A I S > S- 0 0 96 19,-0.2 3,-1.7 21,-0.1 4,-0.4 -0.799 90.6 -95.4-127.3 160.0 8.0 1.2 2.4 4 4 A S T >> S+ 0 0 59 17,-0.3 3,-1.2 1,-0.3 4,-0.6 0.824 122.8 53.9 -39.8 -41.1 4.4 0.2 3.4 5 5 A R H >> S+ 0 0 149 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.816 91.5 71.3 -70.9 -30.9 3.4 3.9 3.1 6 6 A Q H <4 S+ 0 0 90 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.518 114.8 26.5 -71.7 -6.1 4.6 4.3 -0.5 7 7 A b H <>>S+ 0 0 12 -3,-1.2 4,-1.8 -4,-0.4 5,-0.8 0.326 102.1 88.1-125.7 -2.8 1.8 2.1 -1.7 8 8 A L H S+ 0 0 76 -4,-0.6 4,-1.9 -3,-0.5 5,-1.0 0.981 104.2 24.1 -61.4 -57.4 -0.6 2.8 1.2 9 9 A K H X>S+ 0 0 111 -4,-1.2 5,-0.9 3,-0.2 4,-0.7 0.968 119.6 59.1 -71.6 -52.6 -2.1 5.9 -0.5 10 10 A P H 45S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.758 128.2 15.6 -49.4 -28.3 -1.3 4.8 -4.1 11 11 A c H <>S+ 0 0 19 -4,-1.8 5,-2.2 8,-0.2 -3,-0.2 0.786 132.9 39.8-108.0 -54.5 -3.3 1.6 -3.5 12 12 A K H >< -A 25 0A 129 3,-2.6 2,-2.5 -2,-0.4 3,-1.7 -0.977 68.3 -19.6-141.5 136.6 8.1 -3.8 1.5 23 23 A N T 3 S- 0 0 121 -21,-1.1 3,-0.1 -2,-0.3 -2,-0.1 -0.426 132.7 -34.3 71.8 -72.0 11.5 -3.6 -0.3 24 24 A G T 3 S+ 0 0 53 -2,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.231 121.2 76.3-165.8 17.7 9.9 -2.7 -3.7 25 25 A K E < -A 22 0A 128 -3,-1.7 -3,-2.6 -23,-0.2 2,-0.4 -0.993 55.4-156.4-139.9 144.4 6.6 -4.5 -3.9 26 26 A b E -A 21 0A 42 -2,-0.3 2,-0.9 -5,-0.3 -5,-0.3 -0.964 15.1-139.6-128.4 140.0 3.2 -3.9 -2.3 27 27 A H E -A 20 0A 127 -7,-2.8 -7,-1.1 -2,-0.4 2,-0.8 -0.833 24.4-172.4 -94.4 99.7 0.2 -6.1 -1.5 28 28 A c E -A 19 0A 35 -2,-0.9 -9,-0.3 -9,-0.3 -2,-0.0 -0.855 4.0-166.6 -99.3 108.6 -2.8 -4.0 -2.4 29 29 A T E -A 18 0A 64 -11,-1.9 -12,-3.4 -2,-0.8 -11,-1.3 -0.857 20.4-134.1-100.3 109.3 -6.0 -5.7 -1.3 30 30 A P E A 16 0A 75 0, 0.0 -14,-0.3 0, 0.0 -18,-0.1 0.054 360.0 360.0 -61.5 164.6 -9.1 -3.9 -2.9 31 31 A K 0 0 164 -16,-2.3 -15,-0.0 -15,-0.1 -2,-0.0 -0.837 360.0 360.0 -90.8 360.0 -12.3 -2.9 -1.3