==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-JUN-03 1PJV . COMPND 2 MOLECULE: COBATOXIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.MOSBAH,B.JOUIROU,V.VISAN,S.GRISSMER,M.EL AYEB,H.ROCHAT, . 32 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 62.5 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 . 6 18.8 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 3.1 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 . 4 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.1 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 1 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 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 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 0 156 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 166.6 -12.7 4.6 8.9 2 2 A V - 0 0 124 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.760 360.0 -75.1-123.6 170.3 -11.0 1.4 7.8 3 3 A a - 0 0 56 -2,-0.2 2,-0.6 1,-0.1 19,-0.1 -0.512 44.7-152.1 -68.7 119.7 -7.8 0.4 6.0 4 4 A V > - 0 0 75 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 -0.852 9.6-162.6 -99.7 117.0 -8.3 1.0 2.2 5 5 A Y H > S+ 0 0 101 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.903 93.5 48.5 -61.3 -43.9 -6.2 -1.2 -0.0 6 6 A R H > S+ 0 0 215 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 116.4 42.8 -65.8 -37.6 -6.7 1.1 -3.0 7 7 A T H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 119.1 42.9 -75.1 -42.7 -5.8 4.2 -1.0 8 8 A b H X S+ 0 0 34 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.845 116.2 50.2 -70.8 -33.8 -2.9 2.5 0.7 9 9 A D H X S+ 0 0 38 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.950 114.1 42.3 -68.9 -50.8 -1.8 0.9 -2.6 10 10 A K H X S+ 0 0 122 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.945 117.0 47.6 -61.6 -49.5 -1.9 4.2 -4.6 11 11 A D H < S+ 0 0 82 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.951 114.1 46.7 -56.4 -52.1 -0.2 6.2 -1.8 12 12 A c H ><>S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 5,-1.1 0.908 110.3 53.6 -56.8 -44.3 2.5 3.6 -1.3 13 13 A K H 3<5S+ 0 0 116 -4,-2.7 3,-0.5 1,-0.3 4,-0.3 0.873 115.0 40.3 -59.0 -38.4 3.0 3.4 -5.1 14 14 A R T 3<5S+ 0 0 206 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.303 100.2 78.3 -93.0 8.1 3.5 7.2 -5.1 15 15 A R T < 5S- 0 0 172 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 0.009 123.9 -87.3-104.3 27.1 5.5 7.0 -1.9 16 16 A G T 5S+ 0 0 73 -3,-0.5 16,-0.3 1,-0.3 2,-0.3 0.790 98.1 109.2 74.5 28.2 8.7 5.8 -3.6 17 17 A Y S +A 26 0A 103 3,-2.7 3,-1.4 -2,-0.7 -2,-0.1 -0.983 60.8 10.1-137.4 147.8 -3.0 -7.4 6.3 24 24 A N T 3 S- 0 0 161 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.830 131.4 -59.5 55.5 33.3 -3.7 -8.1 10.0 25 25 A N T 3 S+ 0 0 152 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.787 121.1 106.2 66.5 28.1 -4.9 -4.5 10.3 26 26 A A E < -A 23 0A 58 -3,-1.4 -3,-2.7 -23,-0.0 2,-0.8 -0.963 62.6-145.0-143.3 122.3 -1.5 -3.3 9.2 27 27 A b E -A 22 0A 48 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.767 18.9-167.2 -90.4 108.8 -0.6 -1.9 5.8 28 28 A K E -A 21 0A 149 -7,-3.0 -7,-2.3 -2,-0.8 2,-0.1 -0.845 10.8-142.1 -99.7 125.3 3.0 -2.9 4.9 29 29 A c E -A 20 0A 49 -2,-0.5 -9,-0.3 -9,-0.2 -20,-0.1 -0.350 5.8-150.6 -80.4 163.7 4.7 -1.1 2.0 30 30 A Y E -A 19 0A 89 -11,-2.0 -11,-2.1 -2,-0.1 -12,-2.0 -0.876 9.0-153.8-141.3 105.5 6.9 -2.8 -0.6 31 31 A P 0 0 81 0, 0.0 -14,-0.2 0, 0.0 -18,-0.0 -0.102 360.0 360.0 -69.9 172.8 9.8 -0.9 -2.3 32 32 A Y 0 0 242 -16,-0.3 -14,-0.0 -14,-0.1 -13,-0.0 -0.283 360.0 360.0 -60.3 360.0 11.2 -1.7 -5.7