==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 05-JUN-02 1LXH . COMPND 2 MOLECULE: LONG NEUROTOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA KAOUTHIA; . AUTHOR H.ZENG,E.HAWROT . 89 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 40.4 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 . 11 12.4 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 1.1 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-2), SAME NUMBER PER 100 RESIDUES . 3 3.4 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 . 16 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 2 0 0 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 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 I 0 0 133 0, 0.0 13,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 112.9 4.4 10.6 6.2 2 2 A R + 0 0 168 1,-0.2 2,-1.4 3,-0.1 11,-0.1 0.424 360.0 172.8 -3.4 62.7 2.7 10.0 2.9 3 3 A a - 0 0 17 37,-0.1 2,-0.2 16,-0.1 -1,-0.2 -0.704 68.7 -27.8 -90.9 88.2 5.5 7.8 1.5 4 4 A F S S- 0 0 28 -2,-1.4 59,-0.1 58,-0.2 35,-0.1 -0.601 107.4 -50.9 98.6-159.6 3.7 6.8 -1.7 5 5 A I S S- 0 0 44 1,-0.2 -1,-0.2 -2,-0.2 34,-0.1 0.990 103.7 -39.8 -74.8 -65.1 -0.1 6.5 -1.9 6 6 A T - 0 0 10 7,-0.1 -1,-0.2 -3,-0.1 3,-0.2 -0.908 43.6-134.1-166.3 139.7 -1.1 4.5 1.1 7 7 A P S S- 0 0 32 0, 0.0 75,-0.3 0, 0.0 34,-0.1 0.245 83.9 -8.7 -72.4-154.3 0.0 1.4 3.1 8 8 A D S S+ 0 0 94 73,-0.1 2,-0.4 1,-0.1 80,-0.1 -0.182 132.0 2.7 -43.9 119.4 -2.6 -1.2 4.1 9 9 A I S S- 0 0 40 -3,-0.2 73,-3.9 1,-0.1 74,-0.7 -0.917 87.4 -95.7 110.1-126.6 -6.0 0.4 3.1 10 10 A T S S+ 0 0 16 -2,-0.4 77,-0.1 71,-0.2 -1,-0.1 0.273 90.6 81.1-159.1 -50.3 -6.6 3.9 1.4 11 11 A S S S+ 0 0 66 -5,-0.1 2,-0.2 75,-0.1 -2,-0.1 0.843 87.5 7.5 -39.8 -74.6 -7.3 6.6 3.9 12 12 A K S S- 0 0 142 1,-0.1 2,-0.4 -5,-0.0 0, 0.0 -0.517 77.3 -71.7-117.4-171.9 -4.1 8.0 5.5 13 13 A D - 0 0 72 -2,-0.2 -7,-0.1 1,-0.1 -1,-0.1 -0.643 62.9 -88.2 -83.5 134.2 -0.3 8.2 5.7 14 14 A b - 0 0 7 -2,-0.4 -1,-0.1 1,-0.2 -11,-0.1 -0.053 33.1-143.2 -36.1 122.2 1.7 5.3 7.0 15 15 A P S S+ 0 0 134 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.787 93.1 49.4 -68.4 -22.7 1.8 5.9 10.7 16 16 A N S S+ 0 0 124 25,-0.2 2,-0.3 27,-0.0 -2,-0.1 -0.950 82.8 135.0-118.1 108.9 5.4 4.5 10.7 17 17 A G + 0 0 28 -2,-0.5 26,-0.1 24,-0.1 3,-0.1 -0.995 18.8 137.0-158.7 152.7 7.6 6.1 8.0 18 18 A H S S+ 0 0 165 24,-0.5 2,-0.4 1,-0.5 25,-0.1 0.291 80.0 33.9-156.1 -45.3 11.0 7.6 7.0 19 19 A V B S-A 42 0A 16 23,-1.2 2,-2.0 25,-0.1 22,-1.3 -0.963 87.6-106.9-123.4 141.6 12.0 6.2 3.6 20 20 A a E -B 57 0B 2 37,-2.3 37,-2.7 -2,-0.4 2,-1.7 -0.493 41.8-165.7 -71.1 87.0 9.7 5.3 0.7 21 21 A Y E -B 56 0B 16 -2,-2.0 2,-2.3 35,-0.3 18,-0.6 -0.487 7.4-160.1 -81.3 66.7 10.3 1.6 1.4 22 22 A T E -B 55 0B 9 -2,-1.7 33,-3.4 33,-0.8 2,-1.1 -0.168 20.0-175.8 -46.8 67.8 8.8 0.2 -2.0 23 23 A K E +B 54 0B 85 -2,-2.3 2,-1.4 31,-0.3 31,-0.3 -0.646 20.1 178.0 -86.1 93.0 8.4 -3.3 -0.3 24 24 A T E +B 53 0B 43 29,-4.1 29,-1.3 -2,-1.1 2,-0.3 -0.306 31.4 150.4 -84.0 50.2 7.1 -5.9 -2.8 25 25 A W E -B 52 0B 97 -2,-1.4 27,-0.2 27,-0.3 3,-0.1 -0.703 31.6-179.4 -92.5 139.2 7.2 -8.7 -0.2 26 26 A c >> - 0 0 59 25,-1.1 2,-3.6 -2,-0.3 4,-0.8 0.509 20.4-154.2-109.3 -11.9 4.8 -11.7 -0.2 27 27 A D T 34 S- 0 0 120 24,-0.3 -1,-0.1 1,-0.3 24,-0.1 -0.351 74.1 -50.0 69.9 -65.6 6.1 -13.4 2.9 28 28 A A T 34 S+ 0 0 84 -2,-3.6 -1,-0.3 -3,-0.1 -2,-0.0 0.200 134.7 14.7-164.4 -45.7 4.8 -16.7 1.4 29 29 A F T <4 S- 0 0 184 -3,-0.6 -2,-0.2 0, 0.0 -3,-0.0 0.797 80.5-130.6-106.2 -54.8 1.2 -16.1 0.2 30 30 A c < - 0 0 49 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.1 0.915 25.4-169.3 85.3 77.2 0.3 -12.4 0.1 31 31 A S + 0 0 93 -5,-0.1 2,-0.5 3,-0.1 -1,-0.1 0.356 50.1 97.6 -84.4 3.6 -3.0 -12.5 2.0 32 32 A I S > S- 0 0 54 1,-0.1 3,-1.1 0, 0.0 -24,-0.0 -0.862 97.5 -88.4-102.1 129.2 -4.3 -8.9 1.3 33 33 A R T 3 S- 0 0 142 -2,-0.5 -1,-0.1 1,-0.2 48,-0.0 0.334 95.8 -48.3 12.5 -64.7 -6.9 -8.4 -1.6 34 34 A G T 3 - 0 0 48 3,-0.0 -1,-0.2 47,-0.0 -3,-0.1 -0.036 65.8-137.3 169.6 69.5 -4.1 -7.9 -4.1 35 35 A K < - 0 0 70 -3,-1.1 3,-0.1 1,-0.2 47,-0.0 0.088 10.2-133.9 -35.4 146.4 -1.5 -5.5 -3.0 36 36 A R - 0 0 130 1,-0.4 -1,-0.2 33,-0.0 -12,-0.0 -0.128 53.0-111.8-102.5 39.6 -0.3 -3.1 -5.7 37 37 A V S S+ 0 0 53 -12,-0.1 -1,-0.4 -14,-0.1 -14,-0.2 0.154 72.9 21.5 59.2-178.8 3.1 -3.8 -4.7 38 38 A D + 0 0 46 -16,-0.3 -16,-0.2 15,-0.2 -14,-0.1 0.388 52.9 138.2 -13.9 127.0 5.8 -1.7 -3.1 39 39 A L - 0 0 19 -18,-0.6 -17,-0.3 -16,-0.1 2,-0.2 0.501 35.8-170.1-139.4 -54.0 4.8 1.5 -1.0 40 40 A G + 0 0 15 -19,-0.3 -20,-0.2 -20,-0.2 -18,-0.1 -0.628 31.7 166.9 102.0-162.6 6.9 1.6 2.0 41 41 A b + 0 0 16 -22,-1.3 2,-0.2 -2,-0.2 -25,-0.2 0.822 50.6 96.3 95.7 82.0 7.1 3.5 5.2 42 42 A A B S-A 19 0A 29 -23,-0.6 -23,-1.2 -28,-0.0 -24,-0.5 -0.845 73.6 -71.2-168.6-167.4 9.4 1.8 7.6 43 43 A A S S- 0 0 61 -2,-0.2 -3,-0.0 -25,-0.1 -27,-0.0 -0.874 71.8 -22.3-116.4 150.4 13.1 2.2 8.4 44 44 A T - 0 0 92 -2,-0.4 3,-0.1 1,-0.2 -25,-0.1 0.306 66.4 -90.9 56.6-179.0 16.4 1.5 6.6 45 45 A d + 0 0 69 1,-0.1 -1,-0.2 2,-0.1 9,-0.0 -0.740 58.8 154.8-126.4 68.8 17.5 -0.8 3.7 46 46 A P S S- 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.676 74.8 -13.2 -79.3 -19.0 18.4 -3.8 5.8 47 47 A T - 0 0 55 -3,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.403 59.2-179.1-144.4 -66.8 17.9 -6.6 3.2 48 48 A V + 0 0 46 1,-0.2 2,-0.2 5,-0.1 5,-0.1 0.976 62.0 63.1 52.0 67.3 16.0 -5.7 -0.0 49 49 A K B > +C 52 0B 130 3,-0.5 3,-2.2 4,-0.0 -1,-0.2 -0.898 55.1 73.9-179.5-153.4 16.2 -9.2 -1.6 50 50 A T T 3 S- 0 0 127 1,-0.3 -3,-0.0 -2,-0.2 0, 0.0 -0.229 123.0 -25.8 54.1-141.1 15.1 -12.9 -1.2 51 51 A G T 3 S+ 0 0 65 1,-0.1 -25,-1.1 -24,-0.1 2,-0.4 0.009 127.1 92.1 -88.5 31.0 11.4 -13.2 -2.0 52 52 A V E < -BC 25 49B 11 -3,-2.2 2,-0.9 -27,-0.2 -3,-0.5 -0.809 61.4-162.6-127.7 90.9 11.1 -9.5 -1.0 53 53 A D E -B 24 0B 115 -29,-1.3 -29,-4.1 -2,-0.4 2,-0.6 -0.604 19.4-178.5 -75.2 104.5 11.5 -7.0 -3.8 54 54 A I E -B 23 0B 7 -2,-0.9 2,-0.7 -31,-0.3 -31,-0.3 -0.903 23.3-173.0-113.1 114.2 12.2 -3.8 -1.9 55 55 A Q E -B 22 0B 132 -33,-3.4 -33,-0.8 -2,-0.6 2,-0.2 -0.324 19.8-174.4 -96.5 53.5 12.7 -0.4 -3.8 56 56 A d E +B 21 0B 37 -2,-0.7 2,-0.4 -35,-0.3 -35,-0.3 -0.291 9.0 172.5 -54.1 112.4 13.8 1.5 -0.6 57 57 A e E -B 20 0B 32 -37,-2.7 -37,-2.3 -2,-0.2 2,-0.2 -0.989 31.3-159.4-130.8 128.5 14.1 5.2 -1.7 58 58 A S + 0 0 100 -2,-0.4 2,-0.1 -39,-0.2 -2,-0.1 -0.193 51.5 128.6 -97.3 43.2 14.7 8.2 0.5 59 59 A T - 0 0 75 -2,-0.2 3,-0.4 -39,-0.1 -39,-0.2 -0.369 66.7-118.2 -89.0 174.7 13.5 10.7 -2.0 60 60 A D S S+ 0 0 161 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 0.920 107.6 31.1 -77.5 -51.2 10.8 13.5 -1.4 61 61 A N + 0 0 125 -58,-0.1 2,-1.8 -41,-0.0 -1,-0.2 -0.295 66.7 161.7-109.2 53.0 8.2 12.3 -4.0 62 62 A e + 0 0 19 -3,-0.4 -58,-0.2 -2,-0.1 -5,-0.1 -0.579 57.6 78.9 -73.9 90.8 8.6 8.6 -4.0 63 63 A N - 0 0 53 -2,-1.8 2,-1.1 -60,-0.1 -1,-0.1 -0.141 69.9-156.0 162.9 82.4 5.1 8.1 -5.5 64 64 A P - 0 0 102 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.661 66.0 -13.6 -86.3 91.7 5.1 8.7 -9.4 65 65 A F S S- 0 0 163 -2,-1.1 2,-1.8 1,-0.1 0, 0.0 0.530 78.7-100.6 85.2 125.3 1.6 9.7 -10.5 66 66 A P S S+ 0 0 91 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.033 74.0 134.9 -67.4 36.4 -1.5 9.2 -8.3 67 67 A T + 0 0 79 -2,-1.8 3,-0.1 -3,-0.2 -62,-0.1 -0.759 15.5 154.5 -93.1 130.8 -2.6 6.0 -10.1 68 68 A R S S- 0 0 88 1,-0.9 -1,-0.1 -2,-0.5 15,-0.1 0.388 77.2 -2.3-116.4-103.7 -3.7 3.0 -8.0 69 69 A K S S- 0 0 138 14,-0.4 -1,-0.9 13,-0.4 13,-0.0 -0.117 82.9-173.1 -70.7-170.7 -6.1 0.6 -9.8 70 70 A R 0 0 171 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.530 360.0 360.0-151.3 -55.3 -6.6 2.3 -13.2 71 71 A P 0 0 176 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.959 360.0 360.0 -60.0 360.0 -9.0 1.2 -15.9 72 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 181 B Y 0 0 243 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-178.9 -28.5 -6.5 -0.2 74 182 B R + 0 0 190 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.660 360.0 96.5 68.2-111.5 -27.1 -4.1 2.4 75 183 B G + 0 0 70 -2,-0.6 -1,-0.1 3,-0.0 3,-0.1 0.470 50.9 163.5 -6.5 77.8 -23.6 -5.9 3.0 76 184 B W - 0 0 219 1,-0.1 2,-0.4 -3,-0.0 -1,-0.0 0.520 44.1 -63.7 -76.2-126.3 -21.7 -3.7 0.6 77 185 B K - 0 0 105 2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 -0.975 18.9-164.3-137.3 157.4 -18.0 -4.0 1.3 78 186 B H S S+ 0 0 120 -2,-0.4 2,-0.4 10,-0.1 10,-0.0 -0.614 75.9 111.3-118.4 45.2 -15.3 -3.3 3.8 79 187 B W + 0 0 144 8,-0.1 -2,-0.1 1,-0.1 9,-0.1 -0.958 21.6 98.4-136.6 117.9 -13.2 -3.8 0.6 80 188 B V + 0 0 18 -2,-0.4 7,-0.1 5,-0.1 -1,-0.1 0.192 33.2 166.6-154.9 -69.8 -11.2 -1.2 -1.2 81 189 B Y + 0 0 16 5,-0.2 -71,-0.2 1,-0.1 -73,-0.1 0.861 68.6 46.0 35.6 111.1 -7.5 -1.3 -0.3 82 190 B Y S S- 0 0 23 -73,-3.9 -13,-0.4 -75,-0.3 -72,-0.2 0.400 121.3 -81.1 108.6 9.2 -5.4 0.8 -2.7 83 191 B T S S+ 0 0 17 -74,-0.7 -14,-0.4 3,-0.2 -73,-0.1 0.470 77.7 125.8 74.5 146.5 -7.9 3.8 -2.6 84 192 B C S S- 0 0 76 1,-0.7 -74,-0.0 2,-0.1 -4,-0.0 -0.074 87.4 -8.0 168.7 -41.4 -11.2 4.5 -4.4 85 193 B C S S- 0 0 63 1,-0.5 -1,-0.7 0, 0.0 -2,-0.1 -0.609 104.9 -30.3-151.8-153.8 -13.4 5.3 -1.5 86 194 B P S S- 0 0 92 0, 0.0 -1,-0.5 0, 0.0 -3,-0.2 0.467 82.1 -51.5 -61.5-153.7 -13.2 5.1 2.3 87 195 B D - 0 0 60 -77,-0.1 3,-0.1 -7,-0.1 -78,-0.1 -0.373 19.7-151.4 -89.3 169.1 -11.1 2.6 4.4 88 196 B T S S+ 0 0 27 -2,-0.1 -10,-0.1 1,-0.1 -79,-0.1 -0.096 71.3 100.9-122.3 28.2 -10.5 -1.2 4.7 89 197 B P 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.487 360.0 360.0 -92.7 -5.8 -9.6 -1.4 8.4 90 198 B Y 0 0 251 -3,-0.1 -12,-0.1 0, 0.0 0, 0.0 -0.409 360.0 360.0 -83.0 360.0 -13.1 -2.5 9.5