==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-OCT-11 2LL1 . COMPND 2 MOLECULE: U1-TRTX-SP1A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.C.HARDY,N.L.DALY . 33 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 27.3 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 . 2 6.1 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 . 3 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 12.1 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+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 . 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 PARALLEL BRIDGES PER LADDER . 2 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 . 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 D 0 0 212 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 117.0 2.1 -0.0 -1.2 2 2 A a - 0 0 69 16,-0.1 17,-0.2 1,-0.0 16,-0.1 -0.917 360.0-125.7-140.1 165.3 4.9 -2.5 -1.7 3 3 A G B -a 19 0A 13 15,-0.6 17,-0.5 -2,-0.3 16,-0.1 -0.222 34.7 -84.0-100.0-167.9 7.1 -3.9 -4.4 4 4 A H - 0 0 123 4,-0.1 3,-0.3 15,-0.1 16,-0.3 -0.211 39.9-101.8 -89.3-176.6 8.0 -7.4 -5.6 5 5 A L S S+ 0 0 64 1,-0.2 19,-0.2 14,-0.1 -1,-0.1 0.944 123.1 27.7 -72.3 -50.0 10.5 -9.9 -4.3 6 6 A H S S+ 0 0 133 23,-0.1 -1,-0.2 25,-0.1 25,-0.1 0.057 100.3 122.6 -99.5 23.7 13.1 -9.3 -7.0 7 7 A D - 0 0 49 -3,-0.3 23,-1.5 1,-0.1 -4,-0.1 -0.504 67.4 -99.2 -86.2 155.4 12.0 -5.7 -7.5 8 8 A P B -B 29 0B 76 0, 0.0 21,-0.2 0, 0.0 -4,-0.1 -0.242 24.9-163.8 -69.7 159.8 14.2 -2.7 -7.2 9 9 A b > + 0 0 5 19,-0.7 3,-1.0 1,-0.1 19,-0.1 -0.441 29.5 147.7-146.5 65.7 14.2 -0.5 -4.0 10 10 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 19,-0.0 0.824 79.0 51.5 -69.7 -32.8 15.9 2.9 -4.8 11 11 A N T 3 S+ 0 0 124 -3,-0.1 2,-0.4 2,-0.1 5,-0.0 -0.046 78.8 150.9 -95.2 31.2 13.7 4.7 -2.3 12 12 A D < + 0 0 68 -3,-1.0 5,-0.2 5,-0.1 -3,-0.1 -0.517 17.5 163.2 -68.6 117.9 14.6 2.2 0.4 13 13 A R B > -D 16 0C 155 3,-1.0 3,-1.7 -2,-0.4 2,-0.8 -0.931 47.2 -87.4-136.4 159.6 14.3 4.0 3.8 14 14 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.535 116.8 12.1 -69.8 105.6 14.1 3.1 7.5 15 15 A G T 3 S+ 0 0 77 -2,-0.8 2,-0.1 0, 0.0 -3,-0.0 0.276 128.6 54.5 111.0 -9.0 10.4 2.7 8.2 16 16 A H B < +D 13 0C 122 -3,-1.7 -3,-1.0 -5,-0.0 2,-0.2 -0.552 65.3 169.7-158.2 84.5 9.2 2.7 4.6 17 17 A R - 0 0 117 -5,-0.2 -5,-0.1 2,-0.2 -8,-0.0 -0.555 40.1-127.3 -96.2 162.6 10.7 0.2 2.2 18 18 A T S S+ 0 0 39 -2,-0.2 -15,-0.6 -16,-0.1 2,-0.4 0.100 80.9 98.1 -94.4 21.7 9.6 -0.6 -1.3 19 19 A c B -a 3 0A 16 -17,-0.2 -2,-0.2 4,-0.1 -15,-0.1 -0.870 69.1-128.0-113.2 145.2 9.5 -4.3 -0.4 20 20 A a > - 0 0 49 -17,-0.5 3,-0.8 -2,-0.4 -1,-0.1 -0.047 51.9 -54.2 -76.9-175.6 6.4 -6.4 0.5 21 21 A I T 3 S+ 0 0 165 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.306 125.3 22.6 -62.4 143.0 6.1 -8.6 3.6 22 22 A G T 3 S+ 0 0 50 1,-0.3 11,-0.8 -3,-0.1 2,-0.3 0.824 105.6 108.8 69.6 31.4 8.8 -11.3 4.0 23 23 A L E < -C 32 0B 24 -3,-0.8 2,-0.3 9,-0.2 -1,-0.3 -0.845 49.4-157.0-133.3 169.7 11.2 -9.3 1.9 24 24 A Q E -C 31 0B 49 7,-2.5 7,-3.0 -2,-0.3 2,-0.7 -0.996 17.4-129.1-150.6 145.8 14.4 -7.3 2.3 25 25 A b E +C 30 0B 12 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.857 45.9 141.9-100.8 111.8 16.2 -4.5 0.4 26 26 A R E > +C 29 0B 141 3,-3.1 3,-1.3 -2,-0.7 -2,-0.1 -0.997 55.8 20.2-149.2 147.8 19.9 -5.3 -0.2 27 27 A Y T 3 S- 0 0 208 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.856 128.6 -62.7 63.5 35.8 22.5 -4.8 -2.9 28 28 A G T 3 S+ 0 0 61 1,-0.2 -19,-0.7 -19,-0.1 2,-0.3 0.642 125.9 79.9 65.1 12.8 20.3 -2.1 -4.4 29 29 A K E < S-BC 8 26B 114 -3,-1.3 -3,-3.1 -21,-0.2 2,-0.3 -0.925 81.8-104.7-143.9 167.5 17.7 -4.7 -5.0 30 30 A c E + C 0 25B 1 -23,-1.5 2,-0.3 -2,-0.3 -5,-0.2 -0.728 40.0 165.0 -98.0 145.9 15.0 -6.6 -3.1 31 31 A L E - C 0 24B 48 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.6 -0.891 45.7 -68.0-147.7 176.5 15.3 -10.3 -2.0 32 32 A V E C 0 23B 104 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.1 -0.612 360.0 360.0 -76.0 116.5 13.7 -12.9 0.3 33 33 A R 0 0 190 -11,-0.8 -9,-0.1 -2,-0.6 -1,-0.1 0.033 360.0 360.0 -64.4 360.0 14.3 -11.9 3.9