==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 22-NOV-04 1Y29 . COMPND 2 MOLECULE: HUWENTOXIN-X; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.LIU,S.LIANG . 28 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 7.1 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 . 1 3.6 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 . 5 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 240 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.9 4.3 10.5 -3.1 2 2 A a - 0 0 54 1,-0.1 16,-0.2 16,-0.1 14,-0.0 -0.321 360.0 -91.9 -70.5 156.6 2.7 8.0 -0.6 3 3 A L B -a 18 0A 30 14,-1.2 16,-1.0 1,-0.1 17,-0.2 -0.464 44.0-115.3 -70.8 140.4 0.2 5.4 -2.0 4 4 A P > - 0 0 66 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.216 41.2 -82.2 -70.1 164.2 -3.5 6.5 -1.9 5 5 A P T 3 S+ 0 0 105 0, 0.0 23,-0.2 0, 0.0 13,-0.0 -0.487 115.7 38.5 -70.0 130.6 -6.0 4.6 0.3 6 6 A G T 3 S+ 0 0 53 21,-2.9 22,-0.1 1,-0.3 -3,-0.0 0.499 77.2 141.9 106.9 7.5 -7.4 1.5 -1.4 7 7 A K < - 0 0 90 -3,-1.0 2,-0.8 20,-0.7 -1,-0.3 -0.716 53.7-126.6 -86.1 125.8 -4.0 0.3 -3.0 8 8 A P - 0 0 87 0, 0.0 18,-0.3 0, 0.0 2,-0.2 -0.572 27.9-158.1 -72.6 107.1 -3.5 -3.4 -2.9 9 9 A b - 0 0 6 -2,-0.8 2,-1.1 12,-0.1 3,-0.1 -0.588 15.5-131.1 -86.4 148.7 -0.1 -4.0 -1.3 10 10 A Y > - 0 0 185 -2,-0.2 3,-1.9 1,-0.1 2,-0.1 -0.629 51.7 -88.7 -99.7 78.2 1.8 -7.3 -1.8 11 11 A G T 3 S- 0 0 57 -2,-1.1 -1,-0.1 1,-0.2 11,-0.0 -0.333 87.6 -38.4 56.9-126.5 2.7 -8.3 1.7 12 12 A A T 3 S+ 0 0 98 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.011 107.0 108.5-120.9 30.4 6.1 -6.7 2.5 13 13 A T < + 0 0 123 -3,-1.9 2,-0.3 2,-0.0 -1,-0.1 -0.571 59.9 80.7-106.4 71.0 7.9 -7.1 -0.9 14 14 A Q - 0 0 58 -2,-0.8 -5,-0.0 -5,-0.0 0, 0.0 -0.915 67.5-138.5-169.3 140.9 7.9 -3.5 -2.1 15 15 A K S S+ 0 0 207 -2,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.105 78.0 100.0 -91.5 25.7 10.0 -0.3 -1.6 16 16 A I - 0 0 65 -14,-0.0 2,-0.4 -13,-0.0 -14,-0.1 -0.939 67.6-141.9-116.8 116.5 6.8 1.9 -1.5 17 17 A P - 0 0 93 0, 0.0 -14,-1.2 0, 0.0 2,-0.2 -0.588 17.3-135.8 -76.0 126.9 5.4 2.9 1.9 18 18 A c B -a 3 0A 27 -2,-0.4 10,-0.1 2,-0.2 4,-0.1 -0.555 16.3-122.4 -81.9 147.2 1.6 2.9 2.1 19 19 A a S S+ 0 0 79 -16,-1.0 -1,-0.1 9,-0.2 9,-0.0 0.886 99.3 6.6 -56.9 -35.7 -0.1 5.9 3.8 20 20 A G S S- 0 0 25 8,-1.0 2,-0.2 1,-0.2 -2,-0.2 0.157 104.6 -71.1-115.6-126.1 -1.7 3.4 6.2 21 21 A V - 0 0 108 -4,-0.1 7,-1.4 -2,-0.0 2,-0.7 -0.786 51.5 -79.9-131.0 176.2 -1.1 -0.3 6.6 22 22 A b B +B 27 0B 65 -2,-0.2 2,-0.6 5,-0.2 5,-0.2 -0.678 47.3 178.4 -82.1 113.3 -1.9 -3.5 4.7 23 23 A S S S- 0 0 59 3,-1.3 4,-0.1 -2,-0.7 -14,-0.1 -0.884 70.8 -33.2-119.4 102.6 -5.5 -4.5 5.3 24 24 A H S S- 0 0 175 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.962 129.6 -38.9 54.1 53.8 -6.7 -7.7 3.4 25 25 A N S S+ 0 0 99 1,-0.2 2,-0.3 -17,-0.1 -1,-0.2 0.922 125.7 97.7 64.3 43.9 -4.4 -6.9 0.4 26 26 A K - 0 0 105 -18,-0.3 -3,-1.3 -5,-0.0 2,-0.4 -0.886 66.0-126.6-147.7 178.5 -5.1 -3.1 0.7 27 27 A c B B 22 0B 1 -2,-0.3 -21,-2.9 -5,-0.2 -20,-0.7 -0.959 360.0 360.0-138.6 121.0 -3.6 0.2 2.0 28 28 A T 0 0 102 -7,-1.4 -8,-1.0 -2,-0.4 -9,-0.2 0.385 360.0 360.0 -90.3 360.0 -5.4 2.6 4.4