==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-OCT-12 2LZO . COMPND 2 MOLECULE: UGTX; . SOURCE 2 ORGANISM_SCIENTIFIC: URTICINA; . AUTHOR K.MINEEV,A.ARSENIEV . 29 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 27.6 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 . 4 13.8 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 . 1 3.4 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 10.3 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 . 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 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 I 0 0 212 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 0.1 2.7 0.2 2 2 A S - 0 0 115 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.461 360.0-133.1 -73.4 142.3 2.1 1.2 -2.8 3 3 A I - 0 0 137 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.709 23.3-103.2 -97.9 148.6 5.4 2.9 -3.7 4 4 A D - 0 0 132 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.201 44.4 -95.1 -64.9 158.0 6.4 3.9 -7.2 5 5 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.146 46.0 -88.7 -69.8 167.8 8.9 1.8 -9.2 6 6 A P - 0 0 124 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.055 52.4 -80.6 -69.8 176.0 12.7 2.4 -9.3 7 7 A a - 0 0 33 4,-0.3 3,-0.2 1,-0.1 4,-0.2 -0.013 66.8 -60.5 -69.5-179.8 14.5 4.7 -11.8 8 8 A R S > S- 0 0 187 1,-0.2 3,-2.5 2,-0.1 2,-0.2 0.103 85.4 -52.3 -53.9 175.5 15.4 3.6 -15.4 9 9 A F T 3 S- 0 0 183 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.358 130.3 -7.3 -57.5 116.5 17.7 0.7 -16.0 10 10 A b T 3 S+ 0 0 31 -2,-0.2 12,-3.1 1,-0.2 -1,-0.3 0.812 115.0 123.7 64.5 30.1 20.8 1.3 -13.9 11 11 A Y E < -A 21 0A 95 -3,-2.5 -4,-0.3 10,-0.3 2,-0.3 -0.651 39.1-172.7-115.7 173.4 19.5 4.8 -13.1 12 12 A H E -A 20 0A 67 8,-0.8 8,-1.9 -2,-0.2 2,-0.4 -0.974 36.0 -90.1-164.6 151.7 18.7 6.7 -9.9 13 13 A R E -A 19 0A 198 -2,-0.3 6,-0.2 6,-0.2 -6,-0.0 -0.535 46.2-157.9 -70.3 119.3 17.1 9.9 -8.7 14 14 A D > - 0 0 52 4,-3.0 3,-0.6 -2,-0.4 -1,-0.1 -0.094 37.4 -85.3 -85.1-172.0 19.7 12.6 -8.5 15 15 A G T 3 S+ 0 0 90 1,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.784 128.2 57.4 -67.2 -27.0 19.7 15.8 -6.4 16 16 A S T 3 S- 0 0 101 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.748 121.6-106.3 -74.9 -24.4 17.7 17.6 -9.1 17 17 A G S < S+ 0 0 40 -3,-0.6 2,-0.3 1,-0.4 -2,-0.1 0.744 80.6 111.8 102.9 31.8 15.0 15.0 -8.9 18 18 A N - 0 0 111 -6,-0.1 -4,-3.0 -11,-0.0 -1,-0.4 -0.940 69.2-103.2-134.9 156.7 15.6 13.0 -12.1 19 19 A a E +A 13 0A 54 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.628 42.7 172.8 -81.9 133.3 16.8 9.5 -13.0 20 20 A V E -A 12 0A 58 -8,-1.9 -8,-0.8 -2,-0.3 -13,-0.1 -0.997 41.9 -88.0-142.8 145.5 20.4 9.2 -14.2 21 21 A Y E -A 11 0A 129 -2,-0.3 2,-1.9 -10,-0.2 -10,-0.3 -0.274 45.2-118.3 -53.0 123.3 22.8 6.3 -15.1 22 22 A D > + 0 0 42 -12,-3.1 3,-1.9 1,-0.2 4,-0.4 -0.457 38.8 174.6 -68.0 85.0 24.6 5.3 -11.9 23 23 A A T 3 S+ 0 0 81 -2,-1.9 -1,-0.2 1,-0.3 3,-0.1 0.677 76.2 65.0 -66.3 -16.7 28.1 6.1 -13.1 24 24 A Y T 3 S- 0 0 232 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.402 134.5 -54.9 -86.1 2.4 29.2 5.3 -9.5 25 25 A G < - 0 0 34 -3,-1.9 -2,-0.2 -15,-0.1 -1,-0.2 0.439 43.7-162.6 121.4 98.6 28.1 1.7 -10.1 26 26 A b S S- 0 0 30 -4,-0.4 -16,-0.1 -3,-0.1 -15,-0.1 0.052 77.1 -71.3 -92.6 25.1 24.7 0.5 -11.1 27 27 A G S S+ 0 0 68 -5,-0.1 -1,-0.0 -17,-0.1 -2,-0.0 0.442 108.6 115.4 100.7 2.0 25.4 -3.0 -9.9 28 28 A A 0 0 89 1,-0.2 -3,-0.0 -18,-0.1 0, 0.0 0.222 360.0 360.0 -87.1 14.8 27.9 -3.8 -12.7 29 29 A V 0 0 173 -4,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.717 360.0 360.0-104.3 360.0 30.6 -4.0 -10.1