==== 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 2M4Z . COMPND 2 MOLECULE: MU-THERAPHOTOXIN-HH2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HAPLOPELMA SCHMIDTI; . AUTHOR A.GIBBS . 35 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 31.4 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 . 7 20.0 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 2.9 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 . 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+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 . 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 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 E 0 0 183 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 2.3 0.1 -1.1 2 2 A a - 0 0 42 14,-0.2 2,-0.8 1,-0.1 14,-0.3 -0.578 360.0-155.5 -76.6 130.2 2.2 -2.3 -4.1 3 3 A L + 0 0 14 -2,-0.3 13,-0.1 1,-0.2 -1,-0.1 -0.791 35.1 146.7-110.1 89.1 2.8 -5.9 -3.2 4 4 A E + 0 0 118 -2,-0.8 29,-1.1 1,-0.2 -1,-0.2 0.648 68.6 65.8 -93.1 -19.1 4.1 -7.7 -6.2 5 5 A I E S-A 32 0A 103 -3,-0.2 27,-0.2 27,-0.2 -1,-0.2 0.672 125.1 -95.7 -75.6 -17.4 6.3 -10.1 -4.3 6 6 A F E + 0 0 109 25,-1.6 26,-0.2 1,-0.2 2,-0.1 0.689 64.3 169.3 106.8 29.8 3.2 -11.6 -2.7 7 7 A K E -A 31 0A 119 24,-0.7 24,-2.3 23,-0.2 -1,-0.2 -0.454 51.3 -81.3 -74.3 145.3 3.0 -9.7 0.5 8 8 A A E -A 30 0A 69 22,-0.3 22,-0.3 -2,-0.1 2,-0.2 -0.228 53.1-146.9 -48.4 115.1 -0.1 -10.0 2.7 9 9 A b - 0 0 19 20,-2.5 5,-0.1 15,-0.1 -1,-0.1 -0.618 9.3-121.1 -89.7 148.2 -2.6 -7.6 1.1 10 10 A N - 0 0 74 3,-0.6 5,-0.3 -2,-0.2 6,-0.1 -0.581 7.7-136.1 -88.6 150.3 -5.2 -5.7 3.1 11 11 A P S S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.904 102.7 8.9 -69.8 -43.6 -8.9 -6.0 2.5 12 12 A S S S+ 0 0 94 1,-0.1 2,-1.3 2,-0.0 -2,-0.1 0.803 111.1 83.6-104.2 -47.1 -9.6 -2.2 2.7 13 13 A N S S- 0 0 114 1,-0.1 -3,-0.6 -4,-0.0 2,-0.4 -0.440 83.3-134.6 -64.0 93.3 -6.2 -0.7 2.8 14 14 A D + 0 0 140 -2,-1.3 -1,-0.1 1,-0.2 -2,-0.0 -0.325 44.7 153.2 -54.2 108.4 -5.5 -0.6 -1.0 15 15 A Q + 0 0 43 -2,-0.4 -1,-0.2 -5,-0.3 -6,-0.1 0.838 40.0 81.5-102.8 -66.3 -1.9 -2.0 -1.2 16 16 A c S S- 0 0 29 -14,-0.3 -14,-0.2 -6,-0.1 7,-0.1 0.034 86.3-104.3 -41.1 150.1 -1.4 -3.6 -4.6 17 17 A a - 0 0 51 1,-0.1 -2,-0.1 2,-0.0 -14,-0.1 0.065 22.5-123.4 -68.4-174.6 -0.6 -1.2 -7.4 18 18 A K S S+ 0 0 180 -16,-0.0 -1,-0.1 3,-0.0 -2,-0.0 0.860 102.4 26.7 -96.5 -78.1 -3.1 -0.1 -10.1 19 19 A S S S+ 0 0 126 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.758 104.3 103.8 -58.9 -24.1 -1.8 -0.8 -13.6 20 20 A S S S- 0 0 46 1,-0.1 -4,-0.0 2,-0.1 0, 0.0 -0.199 72.5-139.9 -59.2 150.8 0.2 -3.6 -12.0 21 21 A K + 0 0 158 2,-0.1 11,-0.2 13,-0.0 -1,-0.1 0.686 59.5 129.7 -85.5 -20.4 -1.0 -7.2 -12.5 22 22 A L - 0 0 20 11,-0.2 11,-0.3 9,-0.1 2,-0.3 -0.097 44.3-164.5 -39.4 105.1 -0.2 -8.1 -8.9 23 23 A V B +B 32 0A 31 9,-2.2 9,-2.3 1,-0.1 -1,-0.1 -0.754 26.9 172.9-101.5 147.3 -3.4 -9.7 -7.8 24 24 A b S S+ 0 0 22 -2,-0.3 -1,-0.1 7,-0.3 -15,-0.1 0.615 77.8 53.1-120.3 -30.1 -4.5 -10.4 -4.2 25 25 A S S S+ 0 0 108 1,-0.1 5,-0.1 4,-0.1 -2,-0.0 0.972 105.3 51.9 -72.4 -57.2 -8.1 -11.5 -4.6 26 26 A R S S+ 0 0 168 3,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.918 122.1 27.8 -44.5 -55.4 -7.5 -14.3 -7.2 27 27 A K S S- 0 0 121 1,-0.3 -3,-0.0 3,-0.2 7,-0.0 -0.175 114.7 -47.3 -95.8-168.3 -4.8 -15.9 -5.0 28 28 A T S S- 0 0 86 1,-0.1 -1,-0.3 -2,-0.1 -19,-0.1 0.111 75.8 -79.2 -52.3 174.5 -4.2 -15.9 -1.3 29 29 A R S S+ 0 0 187 -3,-0.1 -20,-2.5 -21,-0.1 2,-0.2 0.730 110.7 97.2 -51.1 -21.6 -4.4 -12.7 0.8 30 30 A A E S-A 8 0A 16 -22,-0.3 2,-0.6 -24,-0.1 -22,-0.3 -0.474 75.9-133.4 -73.3 140.5 -0.9 -12.1 -0.6 31 31 A c E +A 7 0A 0 -24,-2.3 -25,-1.6 -2,-0.2 -24,-0.7 -0.856 38.9 152.4-100.2 117.8 -0.6 -9.9 -3.7 32 32 A K E -AB 5 23A 79 -9,-2.3 -9,-2.2 -2,-0.6 -27,-0.2 -0.992 48.9 -88.8-144.2 149.9 1.6 -11.2 -6.5 33 33 A Y - 0 0 148 -29,-1.1 2,-0.5 -11,-0.3 -11,-0.2 -0.214 50.1-104.9 -56.3 144.0 1.8 -10.8 -10.2 34 34 A Q 0 0 107 1,-0.2 -1,-0.1 -13,-0.0 -12,-0.1 -0.610 360.0 360.0 -76.7 122.2 -0.2 -13.3 -12.2 35 35 A I 0 0 189 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.851 360.0 360.0 -52.3 360.0 1.9 -16.0 -13.8