==== 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 12-FEB-13 2M50 . COMPND 2 MOLECULE: MU-THERAPHOTOXIN-HH2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HAPLOPELMA SCHMIDTI; . AUTHOR A.GIBBS,N.MINASSIAN,M.FLINSPACH,A.WICKENDEN . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 40.0 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 . 5 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.9 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 2.9 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 5.7 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+4), SAME NUMBER PER 100 RESIDUES . 1 2.9 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 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 . 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 E 0 0 236 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.5 2.2 -0.2 -1.0 2 2 A a - 0 0 49 1,-0.1 14,-0.3 15,-0.1 13,-0.1 -0.693 360.0 -82.1-130.6-176.7 3.9 -2.9 -3.1 3 3 A L - 0 0 29 12,-0.4 14,-0.6 -2,-0.2 2,-0.2 -0.211 39.2-133.1 -82.1 177.0 7.2 -3.3 -5.1 4 4 A E > - 0 0 115 1,-0.1 3,-1.0 12,-0.1 27,-0.3 -0.544 36.4 -62.0-120.8-173.2 7.9 -2.1 -8.6 5 5 A I T 3 S+ 0 0 67 1,-0.2 27,-0.2 -2,-0.2 -1,-0.1 -0.461 118.7 17.1 -74.5 144.3 9.4 -3.5 -11.8 6 6 A F T 3 S+ 0 0 139 25,-2.5 2,-0.4 1,-0.3 -1,-0.2 0.723 95.3 140.5 67.6 21.0 13.0 -4.7 -11.8 7 7 A K < - 0 0 78 -3,-1.0 24,-2.4 24,-0.2 -1,-0.3 -0.818 66.7 -97.0-100.5 135.3 12.8 -4.8 -8.0 8 8 A A B -A 30 0A 80 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.267 49.0-167.4 -50.6 110.1 14.4 -7.6 -6.0 9 9 A b - 0 0 2 20,-2.1 5,-0.1 -2,-0.2 -1,-0.1 -0.863 5.0-164.9-108.2 139.3 11.5 -10.0 -5.4 10 10 A N - 0 0 83 3,-0.9 14,-0.1 -2,-0.4 5,-0.1 -0.820 28.4-125.0-120.4 160.3 11.6 -12.9 -2.9 11 11 A P S S+ 0 0 106 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.857 115.5 36.6 -69.8 -37.0 9.4 -16.0 -2.4 12 12 A S S S+ 0 0 110 1,-0.2 2,-0.2 -3,-0.0 -3,-0.0 0.669 120.5 49.8 -88.9 -19.9 8.8 -15.2 1.3 13 13 A N + 0 0 78 1,-0.0 2,-2.5 2,-0.0 -3,-0.9 -0.455 64.1 160.0-116.9 58.1 8.6 -11.4 0.6 14 14 A D + 0 0 119 -3,-0.4 4,-0.2 1,-0.2 -5,-0.1 -0.338 15.9 144.3 -77.3 59.6 6.2 -11.3 -2.3 15 15 A Q + 0 0 111 -2,-2.5 -12,-0.4 2,-0.1 -1,-0.2 0.728 33.3 115.5 -70.3 -21.7 5.4 -7.6 -1.7 16 16 A c S S- 0 0 11 -3,-0.4 2,-1.2 -14,-0.3 8,-0.1 -0.198 85.4-101.8 -51.2 134.9 5.1 -7.1 -5.5 17 17 A a >>> + 0 0 37 -14,-0.6 5,-2.1 1,-0.2 3,-0.7 -0.451 46.7 171.9 -64.3 95.6 1.6 -6.2 -6.5 18 18 A K T 345S+ 0 0 177 -2,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 0.412 72.5 66.6 -85.8 1.6 0.4 -9.5 -7.8 19 19 A S T 345S+ 0 0 121 3,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 0.535 110.7 30.6 -96.9 -10.2 -3.1 -8.0 -8.2 20 20 A S T <45S- 0 0 87 -3,-0.7 -2,-0.1 2,-0.2 3,-0.0 0.712 127.6 -61.6-108.5 -85.0 -2.1 -5.6 -10.9 21 21 A K T <5S+ 0 0 123 -4,-0.7 2,-0.7 12,-0.0 -3,-0.2 0.182 94.2 112.3-157.1 14.9 0.7 -6.7 -13.2 22 22 A L < + 0 0 29 -5,-2.1 2,-0.4 11,-0.1 11,-0.2 -0.862 35.9 163.3-102.6 108.5 3.7 -7.2 -10.9 23 23 A V E -B 32 0B 26 9,-2.6 9,-2.5 -2,-0.7 2,-0.5 -0.989 47.1-105.8-129.2 130.3 4.8 -10.8 -10.6 24 24 A b E -B 31 0B 45 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.320 45.7-120.2 -54.1 105.1 8.1 -12.1 -9.3 25 25 A S - 0 0 28 5,-0.7 -1,-0.1 -2,-0.5 -16,-0.1 -0.181 16.0-151.3 -50.3 135.3 9.8 -13.2 -12.5 26 26 A R S S+ 0 0 242 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.916 93.8 42.8 -76.7 -46.0 10.6 -17.0 -12.4 27 27 A K S S+ 0 0 203 3,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.971 121.2 37.6 -64.4 -56.0 13.7 -16.8 -14.7 28 28 A T S S- 0 0 38 2,-0.2 4,-0.1 1,-0.1 0, 0.0 -0.361 79.4-125.6 -91.5 174.2 15.2 -13.6 -13.1 29 29 A R S S+ 0 0 144 -2,-0.1 -20,-2.1 2,-0.1 2,-0.3 0.477 86.6 84.3 -97.2 -5.7 15.3 -12.6 -9.5 30 30 A W B S-A 8 0A 112 -22,-0.2 -5,-0.7 1,-0.1 -22,-0.2 -0.766 90.1 -99.9-100.9 144.9 13.6 -9.2 -10.2 31 31 A c E -B 24 0B 0 -24,-2.4 -25,-2.5 -2,-0.3 2,-0.3 -0.274 43.6-167.9 -60.4 143.6 9.9 -8.6 -10.5 32 32 A A E -B 23 0B 20 -9,-2.5 -9,-2.6 1,-0.2 -1,-0.0 -0.842 23.3 -90.8-131.0 168.0 8.5 -8.5 -14.0 33 33 A Y - 0 0 163 -2,-0.3 2,-0.3 -11,-0.2 -1,-0.2 0.147 35.9-119.7 -64.1-171.8 5.3 -7.5 -15.8 34 34 A Q 0 0 115 -12,-0.1 -1,-0.1 -14,-0.0 -12,-0.1 -0.792 360.0 360.0-141.1 95.0 2.4 -9.9 -16.5 35 35 A I 0 0 187 -2,-0.3 0, 0.0 -14,-0.0 0, 0.0 -0.136 360.0 360.0 -58.2 360.0 1.4 -10.4 -20.2