==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-DEC-00 1HP2 . COMPND 2 MOLECULE: TITYUSTOXIN K ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: TITYUS SERRULATUS; . AUTHOR K.C.ELLIS,T.C.TENENHOLZ,W.F.GILLY,M.P.BLAUSTEIN,D.J.WEBER . 37 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 59.5 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 . 8 21.6 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 2.7 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-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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.7 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 1 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 1 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 V 0 0 92 0, 0.0 34,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 170.9 -2.1 8.3 1.7 2 2 A F E -A 34 0A 108 32,-0.2 2,-0.4 24,-0.1 32,-0.2 -0.776 360.0-137.6-122.8 170.0 1.1 6.2 1.9 3 3 A I E -A 33 0A 28 30,-1.3 30,-1.7 -2,-0.3 4,-0.2 -0.972 17.2-132.8-130.1 144.3 2.9 4.1 4.6 4 4 A N + 0 0 118 -2,-0.4 2,-0.1 28,-0.2 -1,-0.1 0.693 66.2 128.8 -67.7 -13.9 6.6 3.8 5.4 5 5 A A S S- 0 0 24 1,-0.2 2,-1.5 28,-0.1 -2,-0.2 -0.166 71.8-122.6 -44.2 104.6 6.1 0.0 5.5 6 6 A K - 0 0 170 -2,-0.1 -1,-0.2 26,-0.1 26,-0.2 -0.274 37.2-163.8 -55.0 88.7 8.9 -1.0 3.2 7 7 A a - 0 0 14 -2,-1.5 3,-0.1 -4,-0.2 24,-0.1 -0.419 19.7-177.8 -75.6 153.6 6.8 -2.8 0.6 8 8 A R + 0 0 219 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.467 65.2 45.3-128.8 -9.5 8.5 -5.2 -1.8 9 9 A G >> - 0 0 16 1,-0.1 4,-1.4 18,-0.0 3,-1.3 -0.984 67.9-137.8-141.0 131.0 5.6 -6.4 -4.0 10 10 A S H >> S+ 0 0 74 -2,-0.4 3,-0.8 1,-0.3 4,-0.7 0.923 110.1 50.8 -49.4 -49.2 2.7 -4.5 -5.6 11 11 A P H 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.739 103.7 61.0 -63.6 -21.0 0.3 -7.3 -4.7 12 12 A E H <> S+ 0 0 114 -3,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.847 95.3 60.0 -75.6 -30.9 1.6 -7.0 -1.1 13 13 A b H S+ 0 0 71 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.847 119.5 51.4 -58.8 -32.2 -3.4 -6.6 1.8 16 16 A K H X S+ 0 0 55 -4,-1.6 4,-2.1 2,-0.2 3,-0.4 0.982 107.6 47.9 -70.8 -56.1 -1.4 -3.7 3.5 17 17 A c H >X>S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.3 5,-1.6 0.947 112.5 51.0 -50.3 -47.4 -3.6 -0.8 2.3 18 18 A K H 3<5S+ 0 0 122 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.885 113.6 45.0 -58.8 -34.5 -6.7 -2.8 3.4 19 19 A E H 3<5S+ 0 0 126 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.683 116.6 48.2 -82.4 -16.1 -4.9 -3.3 6.7 20 20 A A H <<5S- 0 0 51 -4,-2.1 -2,-0.2 -3,-0.6 -3,-0.2 0.936 138.6 -2.3 -88.1 -58.4 -4.0 0.4 6.8 21 21 A I T <5S- 0 0 79 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.1 0.730 106.4 -96.8-105.3 -28.8 -7.3 2.2 5.9 22 22 A G S +B 32 0A 95 3,-2.2 3,-1.2 -2,-0.5 -22,-0.1 -0.984 59.9 20.8-150.1 160.8 6.9 2.4 -5.2 30 30 A N T 3 S- 0 0 147 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.798 130.6 -62.9 51.1 24.8 9.9 4.4 -3.9 31 31 A G T 3 S+ 0 0 42 1,-0.2 2,-0.3 -24,-0.1 -1,-0.3 0.923 119.3 93.8 69.2 41.6 10.0 1.9 -1.1 32 32 A K E < S- B 0 29A 100 -3,-1.2 -3,-2.2 -26,-0.2 2,-0.4 -0.990 75.7-108.6-157.0 161.7 6.5 2.8 0.2 33 33 A b E -AB 3 28A 0 -30,-1.7 -30,-1.3 -2,-0.3 2,-0.9 -0.812 19.8-154.3 -99.4 134.0 2.9 1.8 -0.2 34 34 A K E +AB 2 27A 51 -7,-3.3 -7,-0.9 -2,-0.4 2,-0.4 -0.720 20.7 175.3-107.0 86.1 0.5 4.1 -2.1 35 35 A c E - B 0 26A 0 -34,-1.4 -9,-0.3 -2,-0.9 -11,-0.1 -0.733 21.0-145.0 -91.5 135.7 -3.0 3.4 -0.7 36 36 A Y 0 0 161 -11,-2.3 -11,-0.1 -2,-0.4 -2,-0.0 -0.872 360.0 360.0-103.8 113.8 -5.9 5.5 -2.0 37 37 A P 0 0 145 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.304 360.0 360.0 -60.6 360.0 -8.6 6.3 0.6