==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER EXCITATORY NEUROTOXIN 29-APR-98 1BCG . COMPND 2 MOLECULE: TOXIN BJXTR-IT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOTTENTOTTA JUDAICUS; . AUTHOR D.OREN,O.FROY,E.AMIT,N.KLEINBERGER-DORON,M.GUREVITZ, . 74 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 58.1 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 . 15 20.3 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 . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 4 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 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 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A M 0 0 188 0, 0.0 54,-0.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.8 15.3 6.8 10.1 2 1 A K E -A 54 0A 114 52,-0.2 2,-0.3 53,-0.1 52,-0.2 -0.418 360.0-163.1 -91.1 170.8 18.7 8.2 11.2 3 2 A K E -A 53 0A 52 50,-2.6 50,-3.3 -2,-0.1 2,-0.3 -0.928 14.6-124.1-147.9 169.7 22.0 6.4 11.2 4 3 A N E + 0 0 40 -2,-0.3 2,-0.3 48,-0.2 47,-0.2 -0.858 49.0 101.7-116.9 153.8 25.5 6.5 12.7 5 4 A G E S-A 50 0A 0 45,-2.1 45,-2.7 -2,-0.3 -2,-0.0 -0.955 71.9 -53.4 160.4-178.6 28.8 6.5 10.8 6 5 A Y - 0 0 22 54,-0.4 54,-2.8 -2,-0.3 43,-0.2 -0.792 54.6-138.7 -89.6 104.1 31.8 8.4 9.4 7 6 A P B -D 59 0B 1 0, 0.0 8,-0.4 0, 0.0 2,-0.3 -0.369 15.6-136.3 -64.9 141.0 30.3 11.3 7.4 8 7 A L - 0 0 43 50,-2.2 6,-0.2 6,-0.1 2,-0.1 -0.744 11.0-141.3 -99.5 146.0 32.2 12.0 4.1 9 8 A D > - 0 0 55 4,-2.5 3,-2.2 -2,-0.3 -1,-0.1 -0.228 44.0 -77.1 -91.3-171.9 33.2 15.4 2.8 10 9 A R T 3 S+ 0 0 224 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.700 131.8 54.5 -60.3 -20.8 33.1 16.7 -0.8 11 10 A N T 3 S- 0 0 102 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.362 119.5-109.0 -94.6 4.5 36.3 14.8 -1.5 12 11 A G S < S+ 0 0 48 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.771 79.8 123.0 75.2 25.3 34.8 11.6 -0.4 13 12 A K - 0 0 144 47,-0.0 -4,-2.5 1,-0.0 -1,-0.3 -0.852 60.5-115.0-121.7 157.8 37.0 11.5 2.8 14 13 A T - 0 0 58 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.1 -0.306 38.1 -98.6 -80.6 167.4 36.4 11.3 6.5 15 14 A T - 0 0 19 -8,-0.4 33,-2.6 33,-0.3 -1,-0.1 -0.823 40.5-136.4 -93.1 112.8 37.3 14.1 8.9 16 15 A E B -B 47 0A 147 -2,-0.8 2,-0.3 31,-0.2 31,-0.3 -0.316 22.1-174.7 -67.0 145.7 40.6 13.3 10.6 17 16 A a + 0 0 5 29,-1.6 2,-0.3 -2,-0.0 29,-0.1 -0.970 15.0 145.3-146.7 126.1 41.0 13.7 14.4 18 17 A S > + 0 0 72 -2,-0.3 3,-1.8 27,-0.1 5,-0.1 -0.923 45.6 19.8-150.3 174.8 44.2 13.3 16.4 19 18 A G T >> S- 0 0 60 1,-0.3 3,-1.7 -2,-0.3 4,-1.1 -0.380 130.3 -4.8 62.9-133.5 46.1 14.7 19.4 20 19 A V H 3> S+ 0 0 104 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.766 136.3 59.2 -64.4 -25.2 43.8 16.6 21.7 21 20 A N H <4 S+ 0 0 62 -3,-1.8 7,-0.4 1,-0.2 -1,-0.3 0.482 103.5 51.9 -83.8 0.5 40.9 16.2 19.3 22 21 A A H <4 S+ 0 0 47 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.663 112.4 44.5-101.8 -26.6 41.2 12.4 19.6 23 22 A I H < S+ 0 0 139 -4,-1.1 -2,-0.2 1,-0.1 -3,-0.1 0.825 114.0 49.7 -87.2 -34.4 41.1 12.4 23.4 24 23 A A S < S- 0 0 30 -4,-1.8 3,-0.5 -5,-0.2 4,-0.4 -0.892 72.0-144.3-109.1 138.5 38.2 14.9 23.8 25 24 A P S > S+ 0 0 65 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.665 78.8 93.1 -70.6 -21.0 34.9 14.6 21.9 26 25 A H H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.825 81.8 49.0 -45.2 -49.9 34.4 18.3 21.5 27 26 A Y H > S+ 0 0 76 -3,-0.5 4,-2.1 1,-0.2 3,-0.2 0.983 118.8 37.7 -57.6 -60.0 36.0 18.7 18.1 28 27 A b H > S+ 0 0 0 -4,-0.4 4,-2.8 -7,-0.4 14,-0.2 0.822 113.2 57.5 -62.5 -32.2 34.2 15.9 16.4 29 28 A N H X S+ 0 0 57 -4,-2.9 4,-2.3 12,-0.3 5,-0.3 0.903 108.2 47.8 -66.4 -37.3 31.0 16.6 18.3 30 29 A S H X>S+ 0 0 47 -4,-2.2 4,-2.8 -5,-0.3 5,-0.6 0.924 113.1 47.1 -67.1 -46.6 31.0 20.2 16.8 31 30 A E H X>S+ 0 0 53 -4,-2.1 4,-2.1 3,-0.2 5,-1.5 0.951 113.6 49.0 -59.6 -50.3 31.7 18.9 13.3 32 31 A c H <5S+ 0 0 0 -4,-2.8 6,-3.0 3,-0.2 4,-0.4 0.918 120.4 34.3 -56.4 -48.8 28.9 16.3 13.5 33 32 A T H X5S+ 0 0 39 -4,-2.3 4,-0.5 4,-0.3 -2,-0.2 0.943 127.4 34.1 -75.6 -48.5 26.3 18.7 14.9 34 33 A K H <5S+ 0 0 156 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.826 129.3 30.0 -79.2 -34.7 27.1 21.9 13.1 35 34 A V T < -C 47 0A 1 3,-2.6 3,-0.7 -2,-0.8 26,-0.1 -0.922 69.3 -28.7-112.5 108.5 36.6 7.0 16.7 45 44 A W T 3 S- 0 0 210 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.910 127.2 -39.3 54.9 53.1 39.9 5.6 15.5 46 45 A G T 3 S+ 0 0 40 1,-0.1 -29,-1.6 -29,-0.1 2,-0.3 0.483 124.9 75.8 83.1 2.2 41.3 8.7 13.9 47 46 A A E < S-BC 16 44A 7 -3,-0.7 -3,-2.6 -31,-0.3 2,-0.4 -0.996 86.2 -97.8-147.1 148.7 38.1 10.0 12.3 48 47 A b E - C 0 43A 3 -33,-2.6 2,-0.5 -2,-0.3 -33,-0.3 -0.519 36.1-164.7 -70.3 123.3 35.0 11.8 13.5 49 48 A Y E - C 0 42A 0 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.3 -0.935 8.9-157.9-109.3 128.9 32.1 9.3 14.0 50 49 A c E -AC 5 41A 1 -45,-2.7 -45,-2.1 -2,-0.5 2,-0.4 -0.811 7.9-148.4-113.6 151.9 28.6 10.8 14.2 51 50 A F E S+ C 0 40A 2 -11,-2.5 -12,-2.3 -2,-0.3 -11,-1.3 -0.894 77.6 22.5-114.1 144.3 25.3 9.6 15.7 52 51 A G E S+ 0 0 3 -2,-0.4 -48,-0.2 -14,-0.2 2,-0.2 0.846 74.7 166.5 73.5 33.6 21.9 10.5 14.4 53 52 A L E -A 3 0A 0 -50,-3.3 -50,-2.6 -3,-0.3 -1,-0.2 -0.535 44.4-103.9 -77.6 149.0 22.8 11.4 10.9 54 53 A E E > -A 2 0A 80 -18,-0.4 3,-2.0 -52,-0.2 -52,-0.2 -0.463 33.3-112.7 -71.3 148.6 20.0 11.7 8.4 55 54 A D T 3 S+ 0 0 86 -54,-0.6 -1,-0.1 1,-0.3 -53,-0.1 0.731 112.5 60.8 -55.6 -27.3 19.8 8.7 6.1 56 55 A D T 3 S+ 0 0 117 2,-0.1 -1,-0.3 0, 0.0 -54,-0.0 0.592 78.3 106.4 -79.7 -9.7 20.7 10.7 3.0 57 56 A K S < S- 0 0 39 -3,-2.0 2,-0.2 1,-0.1 -4,-0.1 -0.561 75.8-121.9 -74.4 121.8 24.1 11.7 4.4 58 57 A P - 0 0 85 0, 0.0 -50,-2.2 0, 0.0 2,-0.3 -0.437 34.5-172.9 -65.3 130.1 27.0 9.8 2.7 59 58 A I B -D 7 0B 47 -52,-0.2 -45,-0.0 -2,-0.2 -54,-0.0 -0.873 26.9 -98.2-123.2 158.2 29.1 7.8 5.2 60 59 A G - 0 0 7 -54,-2.8 -54,-0.4 -2,-0.3 -47,-0.0 -0.459 40.6-105.8 -76.9 144.3 32.3 5.9 4.8 61 60 A P + 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 45.9 174.5 -63.9 150.7 32.3 2.1 4.4 62 61 A M - 0 0 54 -57,-0.0 2,-0.1 4,-0.0 0, 0.0 -0.983 30.9-108.0-158.8 148.2 33.4 0.2 7.5 63 62 A K > - 0 0 152 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.359 37.1-108.3 -75.2 160.0 33.7 -3.4 8.6 64 63 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.844 119.0 57.6 -56.0 -36.1 31.3 -4.8 11.3 65 64 A I H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 109.2 44.8 -62.7 -40.8 34.1 -4.9 13.8 66 65 A T H > S+ 0 0 43 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.898 112.8 50.7 -70.3 -42.4 34.7 -1.1 13.4 67 66 A K H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 111.2 47.1 -61.9 -46.6 31.0 -0.2 13.5 68 67 A K H < S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.3 50.1 -63.1 -38.2 30.3 -2.2 16.7 69 68 A Y H < S+ 0 0 142 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.902 113.0 45.5 -66.9 -43.3 33.4 -0.6 18.3 70 69 A d H < S+ 0 0 0 -4,-2.4 2,-1.4 -5,-0.1 -2,-0.2 0.810 86.0 93.8 -74.7 -30.3 32.4 2.9 17.3 71 70 A D < + 0 0 48 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.1 -0.471 57.5 121.2 -68.8 93.3 28.7 2.9 18.3 72 71 A V + 0 0 86 -2,-1.4 2,-0.3 2,-0.0 -3,-0.0 -0.959 59.8 12.9-157.0 135.0 28.8 4.2 21.9 73 72 A Q 0 0 150 -2,-0.3 -2,-0.1 -33,-0.0 -32,-0.0 -0.297 360.0 360.0 99.6 -45.6 27.2 7.2 23.7 74 73 A I 0 0 128 -2,-0.3 -23,-0.2 -34,-0.1 -2,-0.0 -0.155 360.0 360.0 38.8 360.0 24.5 8.5 21.3