==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 17-AUG-04 1W6B . COMPND 2 MOLECULE: LONG NEUROTOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA OXIANA; . AUTHOR M.TALEBZADEH-FAROOJI,M.AMININASAB,M.M.ELMI,H.NADERI-MANESH, . 73 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 47.9 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 . 18 24.7 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 . 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-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 . 8 11.0 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 . 1 1.4 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 . 0 0 1 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 ANTIPARALLEL 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 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 68 0, 0.0 14,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.5 14.5 4.4 -0.9 2 2 A T E -A 14 0A 35 12,-0.2 60,-0.7 58,-0.1 2,-0.3 -0.864 360.0-169.0-127.7 161.9 11.2 5.9 0.2 3 3 A a E -A 13 0A 2 10,-1.6 10,-1.7 -2,-0.3 2,-0.4 -0.966 25.8-107.7-147.0 160.3 7.5 4.8 0.1 4 4 A Y E -A 12 0A 63 61,-1.4 8,-0.2 -2,-0.3 6,-0.1 -0.778 30.8-137.5 -95.4 134.3 4.0 6.3 0.7 5 5 A K - 0 0 80 6,-1.3 37,-0.1 -2,-0.4 5,-0.1 -0.152 14.3-122.2 -77.3 178.6 2.1 5.3 3.8 6 6 A T S S+ 0 0 39 35,-0.3 4,-0.3 4,-0.1 -1,-0.1 0.890 76.8 94.1 -90.1 -48.6 -1.6 4.5 3.9 7 7 A P S > S- 0 0 78 0, 0.0 3,-0.8 0, 0.0 -2,-0.1 0.131 96.0 -90.7 -44.1 161.1 -3.0 7.0 6.5 8 8 A I T 3 S+ 0 0 153 1,-0.3 2,-1.7 2,-0.1 -3,-0.0 0.855 124.6 62.6 -41.8 -50.6 -4.5 10.4 5.4 9 9 A P T 3 S- 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -4,-0.2 -0.105 79.5-175.5 -73.4 41.2 -1.0 12.1 5.7 10 10 A I < + 0 0 48 -2,-1.7 2,-0.3 -3,-0.8 -6,-0.1 -0.175 16.0 167.2 -42.8 104.4 0.3 9.8 3.0 11 11 A T - 0 0 84 -8,-0.1 -6,-1.3 -2,-0.1 2,-0.5 -0.810 38.8-108.9-124.3 164.9 3.9 10.9 3.1 12 12 A S E +A 4 0A 54 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.839 43.5 165.0 -97.6 125.7 7.2 9.6 1.7 13 13 A E E -A 3 0A 49 -10,-1.7 -10,-1.6 -2,-0.5 2,-0.1 -0.983 36.6-104.4-141.7 151.9 9.7 8.1 4.2 14 14 A T E -A 2 0A 105 -2,-0.3 -12,-0.2 -12,-0.2 29,-0.0 -0.377 37.9-121.0 -73.7 151.7 12.8 6.0 4.1 15 15 A b - 0 0 28 -14,-1.2 -1,-0.1 1,-0.2 3,-0.1 -0.182 31.9 -85.1 -84.5 179.6 12.7 2.3 5.1 16 16 A A > - 0 0 59 1,-0.1 3,-1.9 -2,-0.0 -1,-0.2 -0.374 61.9 -72.4 -81.0 162.8 14.5 0.4 7.9 17 17 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.378 122.6 26.4 -59.8 125.2 18.0 -1.0 7.4 18 18 A G T 3 S+ 0 0 65 1,-0.5 2,-0.0 -2,-0.2 26,-0.0 0.023 97.7 108.0 111.0 -26.2 17.9 -4.0 5.1 19 19 A Q < + 0 0 70 -3,-1.9 -1,-0.5 1,-0.1 26,-0.2 -0.256 27.0 158.4 -78.2 170.2 14.7 -3.0 3.2 20 20 A N + 0 0 99 24,-0.7 2,-0.3 1,-0.3 25,-0.2 0.311 54.0 66.6-170.0 -6.2 14.7 -1.8 -0.4 21 21 A L E -B 44 0B 36 23,-1.2 23,-2.6 -20,-0.1 2,-0.3 -0.898 59.8-142.8-129.2 159.5 11.1 -2.3 -1.7 22 22 A a E -BC 43 59B 2 37,-3.0 37,-2.1 -2,-0.3 2,-0.4 -0.903 15.2-152.3-119.1 148.2 7.7 -0.9 -1.1 23 23 A Y E -BC 42 58B 46 19,-1.3 19,-1.5 -2,-0.3 2,-0.5 -0.941 7.2-155.3-126.6 146.8 4.4 -2.9 -1.1 24 24 A T E -BC 41 57B 5 33,-1.5 33,-1.1 -2,-0.4 2,-0.7 -0.953 10.8-160.0-120.9 110.5 0.8 -1.9 -1.9 25 25 A K E -BC 40 56B 24 15,-2.8 15,-1.3 -2,-0.5 2,-0.5 -0.808 8.5-169.7 -94.5 113.3 -1.9 -4.1 -0.3 26 26 A T E +BC 39 55B 38 29,-1.8 29,-2.0 -2,-0.7 2,-0.3 -0.903 22.5 138.5-108.0 125.0 -5.2 -3.8 -2.0 27 27 A W E -B 38 0B 51 11,-2.0 11,-1.6 -2,-0.5 2,-0.3 -0.960 30.6-161.0-155.0 169.9 -8.3 -5.4 -0.4 28 28 A c + 0 0 39 -2,-0.3 9,-0.1 25,-0.2 -2,-0.0 -0.830 40.1 105.7-162.1 116.1 -12.0 -5.0 0.4 29 29 A D S S+ 0 0 83 -2,-0.3 7,-0.1 7,-0.2 8,-0.0 0.015 82.9 8.3-150.2 -97.7 -14.1 -6.8 3.0 30 30 A A S > S+ 0 0 82 1,-0.2 3,-1.2 2,-0.2 6,-0.1 0.967 134.9 40.3 -64.8 -56.0 -15.4 -5.5 6.4 31 31 A W T 3 S+ 0 0 134 1,-0.3 3,-0.4 2,-0.1 5,-0.4 0.670 107.2 67.3 -68.4 -17.3 -14.4 -1.8 5.9 32 32 A c T 3 + 0 0 28 1,-0.2 -1,-0.3 3,-0.1 -2,-0.2 0.094 59.1 132.1 -90.7 22.4 -15.5 -2.1 2.3 33 33 A G S < S- 0 0 65 -3,-1.2 -1,-0.2 3,-0.2 -2,-0.1 0.743 94.1 -12.9 -44.9 -26.8 -19.1 -2.5 3.4 34 34 A S S S- 0 0 111 -3,-0.4 -2,-0.1 0, 0.0 -1,-0.1 0.405 134.5 -30.0-137.8 -74.3 -19.9 0.1 0.8 35 35 A R S S+ 0 0 221 -4,-0.2 2,-2.1 2,-0.0 -3,-0.1 0.149 89.9 123.0-141.6 14.5 -17.0 2.1 -0.7 36 36 A G - 0 0 36 -5,-0.4 -7,-0.2 -6,-0.1 -3,-0.2 -0.340 43.2-176.3 -80.2 58.7 -14.5 2.1 2.1 37 37 A K - 0 0 143 -2,-2.1 2,-0.3 -5,-0.1 -9,-0.2 -0.275 9.4-151.5 -56.7 138.2 -11.7 0.4 0.1 38 38 A V E -B 27 0B 40 -11,-1.6 -11,-2.0 2,-0.0 2,-0.3 -0.864 16.5-179.3-117.5 149.9 -8.7 -0.3 2.2 39 39 A I E -B 26 0B 13 -2,-0.3 2,-0.6 -13,-0.2 -13,-0.2 -0.911 15.1-149.6-151.0 121.1 -5.0 -0.5 1.2 40 40 A E E -B 25 0B 85 -15,-1.3 -15,-2.8 -2,-0.3 2,-0.3 -0.809 17.0-169.7 -96.2 120.9 -2.0 -1.3 3.4 41 41 A L E +B 24 0B 11 -2,-0.6 -35,-0.3 -17,-0.2 2,-0.3 -0.764 23.6 118.2-107.8 153.2 1.4 0.3 2.3 42 42 A G E -B 23 0B 3 -19,-1.5 -19,-1.3 -2,-0.3 2,-0.3 -0.896 50.2 -78.8-175.7-154.6 4.8 -0.4 3.7 43 43 A b E +B 22 0B 26 -21,-0.3 2,-0.3 -2,-0.3 -21,-0.3 -0.963 32.0 173.5-137.7 153.4 8.3 -1.7 3.0 44 44 A A E -B 21 0B 20 -23,-2.6 -23,-1.2 -2,-0.3 -24,-0.7 -0.970 41.6-122.0-160.8 143.7 10.0 -5.1 2.5 45 45 A A S S+ 0 0 53 -2,-0.3 2,-0.3 -26,-0.2 -23,-0.1 0.774 103.1 16.2 -56.4 -26.3 13.4 -6.5 1.6 46 46 A T S S- 0 0 102 -25,-0.1 -1,-0.1 -3,-0.0 -25,-0.1 -0.997 101.0 -78.7-150.9 147.4 11.5 -8.3 -1.2 47 47 A d - 0 0 59 -2,-0.3 -24,-0.1 1,-0.1 11,-0.1 -0.206 54.8-137.3 -45.0 117.4 8.2 -8.2 -3.0 48 48 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.319 12.3-123.3 -79.1 164.4 5.7 -9.9 -0.6 49 49 A T - 0 0 128 -2,-0.1 2,-0.2 6,-0.0 6,-0.1 -0.709 22.7-171.0-109.4 160.4 3.0 -12.4 -1.7 50 50 A V - 0 0 48 -2,-0.2 5,-0.1 1,-0.2 6,-0.1 -0.734 16.9-122.0-135.4-176.7 -0.7 -12.5 -1.2 51 51 A E - 0 0 115 -2,-0.2 -1,-0.2 4,-0.1 0, 0.0 0.162 48.8 -68.2-105.7-137.0 -3.7 -14.8 -1.7 52 52 A S S S+ 0 0 111 1,-0.1 -2,-0.0 3,-0.1 -1,-0.0 0.950 124.3 33.8 -87.0 -75.5 -6.9 -14.5 -3.8 53 53 A Y S S+ 0 0 141 -26,-0.0 2,-0.3 2,-0.0 -25,-0.2 0.745 116.6 69.7 -54.8 -23.5 -9.2 -11.8 -2.4 54 54 A Q - 0 0 21 -27,-0.1 2,-0.3 -29,-0.0 -27,-0.2 -0.753 67.1-172.8-100.5 145.6 -6.1 -9.9 -1.4 55 55 A D E -C 26 0B 88 -29,-2.0 -29,-1.8 -2,-0.3 2,-0.3 -0.886 3.3-165.6-133.0 162.9 -3.7 -8.3 -3.9 56 56 A I E -C 25 0B 24 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.2 -0.995 9.7-159.3-150.9 153.7 -0.3 -6.7 -3.8 57 57 A K E -C 24 0B 131 -33,-1.1 -33,-1.5 -2,-0.3 2,-0.4 -0.978 12.5-154.9-138.0 122.7 2.1 -4.5 -5.8 58 58 A d E +C 23 0B 53 -2,-0.4 2,-0.3 -35,-0.2 -35,-0.2 -0.778 19.6 164.9-100.9 140.9 5.8 -4.2 -5.3 59 59 A e E -C 22 0B 13 -37,-2.1 -37,-3.0 -2,-0.4 3,-0.0 -0.946 40.3-133.2-146.5 164.8 7.9 -1.2 -6.3 60 60 A S S S+ 0 0 79 -2,-0.3 2,-0.3 -39,-0.2 -58,-0.1 -0.029 88.0 42.0-111.3 29.5 11.3 0.4 -5.7 61 61 A T S >> S- 0 0 56 -60,-0.1 3,-2.0 1,-0.1 4,-0.6 -0.931 77.8-119.3-171.3 145.7 10.1 3.9 -5.1 62 62 A D G >4 S+ 0 0 22 -60,-0.7 3,-1.3 1,-0.3 -58,-0.3 0.853 111.0 68.3 -56.1 -37.4 7.3 5.9 -3.4 63 63 A D G 34 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 -60,-0.1 0.671 109.6 37.6 -57.8 -15.0 6.2 7.2 -6.8 64 64 A e G <4 S+ 0 0 62 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.441 114.6 56.0-113.8 -6.4 5.2 3.6 -7.5 65 65 A N S << S+ 0 0 0 -3,-1.3 -61,-1.4 -4,-0.6 -1,-0.1 -0.427 78.8 119.8-124.9 56.4 3.9 2.8 -4.0 66 66 A P S S- 0 0 50 0, 0.0 -3,-0.1 0, 0.0 -55,-0.0 -0.168 73.2 -72.2 -99.8-162.2 1.2 5.5 -3.3 67 67 A H - 0 0 41 1,-0.1 -2,-0.0 -2,-0.1 -62,-0.0 -0.881 30.1-145.9-101.0 114.3 -2.5 5.3 -2.6 68 68 A P S S+ 0 0 95 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.690 94.9 54.0 -49.4 -18.5 -4.6 4.4 -5.6 69 69 A K S S- 0 0 97 1,-0.2 3,-0.1 -32,-0.0 0, 0.0 -0.922 73.4-164.0-124.9 105.4 -7.2 6.7 -4.1 70 70 A Q - 0 0 146 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.945 63.8 -24.3 -48.2 -91.2 -6.1 10.2 -3.3 71 71 A K S S- 0 0 133 1,-0.0 -1,-0.2 0, 0.0 -63,-0.0 -0.953 71.0 -95.8-131.8 152.1 -8.7 11.7 -1.0 72 72 A R 0 0 210 -2,-0.3 -3,-0.0 -3,-0.1 -1,-0.0 -0.276 360.0 360.0 -62.7 147.0 -12.4 10.9 -0.4 73 73 A P 0 0 177 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.974 360.0 360.0 -71.0 360.0 -15.0 13.1 -2.2