==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-JUN-06 2H9X . COMPND 2 MOLECULE: TOXIN CGNA; . SOURCE 2 ORGANISM_SCIENTIFIC: CONDYLACTIS GIGANTEA; . AUTHOR B.LOPEZ-MENDEZ,J.PEREZ-CASTELLS,G.GIMENEZ-GALLEGO,J.JIMENEZ- . 47 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 34.0 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 . 9 19.1 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 . 2 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.5 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 . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 102 0, 0.0 2,-0.3 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0-174.2 26.4 31.3 35.6 2 2 A V E -A 22 0A 61 20,-1.1 20,-2.5 2,-0.0 2,-0.3 -0.983 360.0 -96.4-145.5 149.3 29.4 29.0 35.3 3 3 A X E +A 21 0A 104 -2,-0.3 2,-0.3 18,-0.2 18,-0.3 -0.466 52.5 165.4 -70.2 124.1 31.7 28.1 32.4 4 4 A a - 0 0 21 16,-2.0 41,-0.2 -2,-0.3 16,-0.1 -0.956 23.8-138.8-149.6 128.7 30.5 24.9 30.7 5 5 A R - 0 0 143 -2,-0.3 2,-0.2 1,-0.1 29,-0.1 -0.095 15.1-123.3 -78.6 174.0 31.3 23.3 27.3 6 6 A b > - 0 0 29 27,-0.1 3,-1.2 14,-0.0 29,-0.2 -0.508 35.6 -91.0-111.7 174.7 29.3 21.5 24.7 7 7 A D T 3 S+ 0 0 125 27,-1.7 2,-0.3 1,-0.3 3,-0.2 0.899 129.9 35.4 -57.8 -42.7 29.3 18.0 23.0 8 8 A S T 3 S+ 0 0 101 26,-0.5 -1,-0.3 1,-0.2 27,-0.0 -0.505 74.3 159.0-108.1 54.6 31.6 19.3 20.3 9 9 A D < - 0 0 63 -3,-1.2 -1,-0.2 -2,-0.3 10,-0.1 0.873 68.2 -88.8 -45.6 -42.5 33.6 21.8 22.5 10 10 A G > - 0 0 8 -3,-0.2 3,-1.3 -4,-0.1 6,-0.2 0.604 46.1-174.3 126.4 67.5 36.4 21.7 19.8 11 11 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.620 92.4 10.6 -57.2 -22.3 39.0 19.0 20.2 12 12 A S T 3 S+ 0 0 119 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.068 115.2 87.0-148.5 34.1 41.2 20.3 17.3 13 13 A V S X S- 0 0 83 -3,-1.3 3,-0.6 1,-0.0 2,-0.1 -0.883 77.1 -86.7-138.0 162.9 39.6 23.7 16.5 14 14 A H T 3 S+ 0 0 176 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.357 102.7 22.1 -71.4 150.8 39.7 27.4 17.6 15 15 A G T 3 S+ 0 0 64 1,-0.1 4,-0.3 -2,-0.1 -1,-0.2 0.766 72.1 148.5 63.0 32.5 37.7 28.9 20.4 16 16 A N < + 0 0 79 -3,-0.6 -1,-0.1 -6,-0.2 -2,-0.1 0.438 36.2 108.3 -73.2 -10.1 37.3 25.5 22.2 17 17 A T S S- 0 0 100 1,-0.1 2,-2.8 -12,-0.1 3,-0.2 0.022 94.9 -65.7 -60.9 173.7 37.2 27.1 25.7 18 18 A L S S+ 0 0 61 1,-0.2 -14,-0.2 -13,-0.1 -1,-0.1 -0.285 75.8 139.8 -67.5 60.6 34.2 27.4 28.0 19 19 A S + 0 0 89 -2,-2.8 28,-0.3 -4,-0.3 -1,-0.2 0.518 60.0 76.4 -78.5 -13.5 32.3 29.9 25.7 20 20 A G S S- 0 0 5 -3,-0.2 -16,-2.0 26,-0.1 2,-0.3 -0.523 76.1-144.4 -90.3 166.6 29.2 27.8 26.7 21 21 A T E -AB 3 45A 28 24,-2.6 24,-2.1 -18,-0.3 2,-0.4 -0.989 8.0-131.8-145.8 145.9 27.5 28.2 30.1 22 22 A V E -AB 2 44A 3 -20,-2.5 -20,-1.1 -2,-0.3 2,-0.5 -0.801 16.2-171.2-100.2 136.2 25.7 26.2 32.8 23 23 A W E - B 0 43A 67 20,-2.3 20,-1.5 -2,-0.4 2,-0.1 -0.995 19.9-140.1-127.6 113.2 22.5 27.4 34.2 24 24 A V S S+ 0 0 84 -2,-0.5 2,-2.0 18,-0.2 18,-0.2 -0.461 85.0 25.8 -80.2 163.9 21.4 25.4 37.1 25 25 A G S S- 0 0 72 16,-0.2 2,-0.2 -2,-0.1 -1,-0.2 -0.372 137.1 -36.0 81.2 -56.8 17.8 24.5 37.6 26 26 A S S S- 0 0 64 -2,-2.0 17,-0.2 17,-0.1 16,-0.0 -0.908 81.9 -57.9 177.1 170.0 17.5 24.8 33.7 27 27 A c - 0 0 37 -2,-0.2 2,-0.3 1,-0.1 17,-0.1 0.200 54.3 -88.0 -56.4 172.9 18.8 26.9 30.6 28 28 A A > - 0 0 21 1,-0.1 3,-2.5 4,-0.1 -1,-0.1 -0.722 40.2-106.6 -91.7 140.8 18.7 30.7 29.8 29 29 A S T 3 S+ 0 0 142 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.368 114.9 30.6 -44.0 -13.0 15.7 32.3 27.9 30 30 A G T 3 S+ 0 0 43 2,-0.0 -1,-0.3 -2,-0.0 2,-0.2 0.259 106.6 81.2-132.1 2.9 17.5 32.8 24.5 31 31 A W < - 0 0 48 -3,-2.5 2,-0.3 16,-0.1 16,-0.2 -0.498 56.8-155.8-105.0 177.5 19.9 29.8 24.4 32 32 A H B -C 46 0B 132 14,-1.2 14,-1.8 -2,-0.2 2,-0.3 -0.954 35.2 -66.4-150.4 169.5 19.6 26.1 23.6 33 33 A K - 0 0 76 -2,-0.3 12,-0.2 12,-0.2 5,-0.1 -0.428 31.9-177.0 -64.4 118.2 21.1 22.6 24.2 34 34 A b S S+ 0 0 27 10,-0.4 -27,-1.7 -2,-0.3 -26,-0.5 0.244 73.5 27.7 -95.5 7.2 24.6 22.3 22.8 35 35 A N S S- 0 0 22 9,-0.3 -29,-0.0 -29,-0.2 9,-0.0 -0.966 78.8-113.9-159.3 167.1 24.7 18.6 23.9 36 36 A D S S+ 0 0 148 -2,-0.3 2,-0.1 -3,-0.0 -1,-0.1 0.789 104.2 44.8 -76.9 -32.8 22.4 15.5 24.7 37 37 A E - 0 0 134 1,-0.1 -2,-0.2 -3,-0.0 7,-0.1 -0.337 64.2-171.6 -96.7-175.9 23.3 15.6 28.4 38 38 A Y - 0 0 111 -2,-0.1 2,-0.3 5,-0.1 6,-0.2 0.475 44.2 -61.0-143.0 -66.8 23.4 18.7 30.6 39 39 A N - 0 0 73 3,-0.4 -1,-0.1 4,-0.1 0, 0.0 -0.963 48.1 -75.9 179.0 171.7 24.8 18.2 34.2 40 40 A I S S- 0 0 146 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.760 123.9 -22.7 -45.4 -41.7 24.8 16.6 37.6 41 41 A A S S+ 0 0 75 -3,-0.0 -16,-0.2 -15,-0.0 -1,-0.1 0.357 134.1 59.9-140.4 -49.4 21.9 18.9 38.6 42 42 A Y S S- 0 0 93 -18,-0.2 -3,-0.4 -4,-0.1 2,-0.3 0.187 74.1-116.1 -74.4-166.7 22.3 21.8 36.2 43 43 A E E -B 23 0A 37 -20,-1.5 -20,-2.3 -5,-0.2 2,-0.3 -0.960 11.3-143.7-150.6 130.0 22.2 22.2 32.4 44 44 A a E +B 22 0A 2 -2,-0.3 -10,-0.4 -6,-0.2 -9,-0.3 -0.671 28.7 162.4 -92.7 138.9 24.8 23.4 29.9 45 45 A c E -B 21 0A 0 -24,-2.1 -24,-2.6 -2,-0.3 2,-0.3 -0.928 20.6-140.3-144.9 170.6 23.8 25.6 26.9 46 46 A K B C 32 0B 69 -14,-1.8 -14,-1.2 -2,-0.3 -26,-0.1 -0.864 360.0 360.0-135.0 168.0 25.4 27.8 24.3 47 47 A Q 0 0 142 -28,-0.3 -16,-0.1 -2,-0.3 -2,-0.0 -0.976 360.0 360.0-153.5 360.0 24.9 31.1 22.4