==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 02-MAY-02 1LMR . COMPND 2 MOLECULE: TOXIN ADO1; . SOURCE 2 ORGANISM_SCIENTIFIC: AGRIOSPHODRUS DOHRNI; . AUTHOR C.BERNARD,G.CORZO,S.ADACHI-AKAHANE,G.FOURES,K.KANEMARU, . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 31.4 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 . 5 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.9 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 5.7 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 . 1 2.9 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 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 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 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 0 130 0, 0.0 2,-0.3 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 112.3 -2.9 -11.9 -4.9 2 2 A D - 0 0 122 16,-0.0 16,-0.6 3,-0.0 0, 0.0 -0.918 360.0 -96.4-160.6-176.6 0.5 -10.9 -6.3 3 3 A D S S+ 0 0 158 -2,-0.3 14,-0.0 14,-0.1 16,-0.0 -0.132 74.0 129.8-105.7 35.6 3.8 -9.0 -5.7 4 4 A D - 0 0 98 1,-0.1 2,-0.2 16,-0.1 14,-0.1 0.329 47.3-128.8 -68.0-154.8 2.6 -5.8 -7.4 5 5 A a - 0 0 36 14,-0.1 14,-0.2 15,-0.1 -1,-0.1 -0.765 1.5-131.4-146.0-169.6 2.9 -2.4 -5.8 6 6 A L - 0 0 11 -2,-0.2 14,-0.2 25,-0.0 18,-0.1 -0.775 18.1-141.7-159.3 108.6 0.9 0.8 -5.1 7 7 A P > - 0 0 101 0, 0.0 2,-2.5 0, 0.0 3,-1.4 -0.021 49.8 -71.8 -63.2 172.3 2.0 4.4 -5.8 8 8 A R T 3 S+ 0 0 192 1,-0.2 25,-0.1 23,-0.1 3,-0.1 -0.424 127.6 39.8 -68.9 77.4 1.3 7.3 -3.5 9 9 A G T 3 S+ 0 0 51 -2,-2.5 2,-0.4 1,-0.4 -1,-0.2 0.160 81.7 103.7 171.7 -31.8 -2.4 7.5 -4.1 10 10 A S < - 0 0 46 -3,-1.4 22,-1.9 1,-0.1 -1,-0.4 -0.611 65.1-131.7 -78.3 127.7 -3.8 3.9 -4.3 11 11 A K - 0 0 146 -2,-0.4 20,-0.3 20,-0.2 19,-0.1 -0.093 23.7-179.2 -69.8 173.9 -5.7 2.8 -1.2 12 12 A b + 0 0 7 14,-0.2 19,-0.3 15,-0.2 18,-0.2 -0.040 27.2 137.1-173.1 53.0 -5.1 -0.5 0.6 13 13 A L S S+ 0 0 83 17,-0.3 17,-0.1 1,-0.1 18,-0.1 0.998 93.3 6.1 -68.7 -70.4 -7.4 -0.9 3.6 14 14 A G S S+ 0 0 57 16,-0.1 -1,-0.1 2,-0.0 13,-0.0 0.683 100.0 125.7 -87.5 -19.8 -8.5 -4.5 3.2 15 15 A E - 0 0 92 1,-0.2 15,-0.0 15,-0.0 -3,-0.0 -0.089 47.4-160.4 -42.9 128.5 -6.2 -5.2 0.3 16 16 A N + 0 0 152 2,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.472 59.5 107.9 -91.3 -4.2 -4.0 -8.2 0.9 17 17 A K - 0 0 40 -16,-0.1 2,-0.4 1,-0.1 -14,-0.1 -0.221 65.3-129.2 -70.1 163.6 -1.6 -7.0 -1.8 18 18 A Q - 0 0 125 -16,-0.6 3,-0.1 1,-0.1 6,-0.1 -0.918 14.8-122.2-119.5 144.4 1.8 -5.6 -0.9 19 19 A c - 0 0 19 -2,-0.4 3,-0.1 -14,-0.2 -14,-0.1 0.014 46.4 -70.7 -70.0-177.1 3.5 -2.4 -2.1 20 20 A a > - 0 0 64 -14,-0.2 3,-1.5 1,-0.2 2,-0.5 -0.083 69.2 -67.6 -69.9 174.9 6.8 -2.2 -4.0 21 21 A K T 3 S+ 0 0 211 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.536 125.0 16.3 -69.9 115.7 10.2 -2.8 -2.4 22 22 A G T 3 S+ 0 0 40 -2,-0.5 13,-0.8 1,-0.5 -1,-0.2 0.140 106.1 101.8 109.1 -18.7 10.9 -0.1 0.1 23 23 A T E < -A 34 0A 54 -3,-1.5 -1,-0.5 11,-0.2 2,-0.3 -0.505 54.2-152.3 -95.6 166.3 7.3 1.2 0.4 24 24 A T E -A 33 0A 72 9,-2.8 9,-3.3 -2,-0.2 2,-0.4 -0.992 7.6-136.4-141.0 146.9 4.7 0.6 3.1 25 25 A b E -A 32 0A 39 -2,-0.3 2,-0.4 7,-0.3 7,-0.2 -0.861 15.9-139.6-106.6 136.8 0.9 0.5 3.2 26 26 A M E > -A 31 0A 69 5,-0.9 5,-0.8 -2,-0.4 4,-0.5 -0.791 4.0-158.3 -97.4 134.5 -1.2 2.1 5.9 27 27 A F T 5S+ 0 0 149 -2,-0.4 -1,-0.2 2,-0.2 -15,-0.2 0.971 95.5 30.4 -72.0 -57.5 -4.2 0.3 7.3 28 28 A Y T 5S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.1 -15,-0.1 0.896 123.8 48.3 -69.9 -41.6 -6.1 3.3 8.8 29 29 A A T 5S- 0 0 20 2,-0.1 -1,-0.2 -17,-0.1 -2,-0.2 0.708 94.6-153.7 -71.1 -19.1 -4.7 5.7 6.1 30 30 A N T 5 + 0 0 68 -4,-0.5 -17,-0.3 -18,-0.2 2,-0.2 0.912 57.6 95.7 42.8 58.2 -5.7 3.1 3.6 31 31 A R E