==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-APR-82 1CTX . COMPND 2 MOLECULE: ALPHA-COBRATOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA SIAMENSIS; . AUTHOR W.SAENGER,M.D.WALKINSHAW . 71 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 39.4 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 . 12 16.9 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 . 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 . 6 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.8 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 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 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 0 0 2 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 I 0 0 45 0, 0.0 13,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.6 5.6 43.9 11.6 2 2 A R - 0 0 112 11,-0.3 9,-0.1 10,-0.2 2,-0.1 -0.492 360.0-173.7-108.3 63.1 7.4 46.6 9.6 3 3 A a - 0 0 0 -2,-0.4 38,-0.2 16,-0.3 58,-0.1 -0.369 15.7-151.9 -37.4 119.1 10.7 44.4 7.9 4 4 A F + 0 0 24 56,-0.4 8,-0.3 36,-0.2 -1,-0.1 0.946 35.9 176.7 -56.1 -60.3 12.8 47.4 6.1 5 5 A I - 0 0 47 35,-0.1 35,-0.4 6,-0.1 58,-0.1 0.376 14.6 -59.0 65.1 160.7 14.0 44.7 3.7 6 6 A T S S+ 0 0 34 33,-2.7 2,-0.5 1,-0.1 35,-0.1 -0.425 91.8 12.7-100.7-179.3 16.3 45.2 0.6 7 7 A P S S+ 0 0 112 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 -0.913 101.1 84.3 -77.9 -19.0 17.2 46.3 -2.0 8 8 A D S S- 0 0 117 -2,-0.5 -2,-0.0 -4,-0.0 0, 0.0 -0.227 90.8-121.4 -44.3 55.6 14.5 48.9 -1.8 9 9 A I S S- 0 0 118 -2,-2.4 2,-0.3 2,-0.0 -1,-0.0 -0.173 76.0 -16.5 44.7-116.4 16.3 51.6 0.3 10 10 A T S S+ 0 0 86 54,-0.0 2,-0.2 -4,-0.0 -6,-0.1 -0.836 83.4 116.5-116.6 149.6 13.9 52.0 3.5 11 11 A S - 0 0 47 -2,-0.3 2,-0.3 -9,-0.1 -6,-0.1 -0.716 29.9-172.5-177.6-140.8 10.3 50.8 3.8 12 12 A K + 0 0 48 -8,-0.3 -10,-0.2 1,-0.2 -9,-0.1 -0.982 34.0 107.2 163.8-153.2 8.2 48.3 6.0 13 13 A D + 0 0 92 -2,-0.3 -11,-0.3 2,-0.1 -1,-0.2 0.962 29.6 147.4 38.6 97.5 4.8 46.4 6.7 14 14 A b - 0 0 48 -13,-2.8 2,-0.3 1,-0.2 -12,-0.1 0.933 29.5-165.5 -78.1 -53.5 4.9 42.7 5.7 15 15 A P > + 0 0 71 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.894 57.2 71.9 -84.5 -33.3 2.9 41.7 7.9 16 16 A N T 3 S+ 0 0 134 -2,-0.3 25,-0.0 1,-0.2 3,-0.0 -0.226 88.1 46.2 -54.1 120.8 3.5 37.8 7.8 17 17 A G T 3 S- 0 0 8 -2,-0.1 -1,-0.2 1,-0.0 27,-0.2 0.070 89.5-130.8 133.6 -27.1 6.9 36.6 9.2 18 18 A H S < S+ 0 0 136 -3,-1.1 2,-0.3 25,-0.1 26,-0.1 0.857 70.0 53.1 55.2 52.5 6.9 38.7 12.6 19 19 A V - 0 0 18 -4,-0.2 2,-0.4 23,-0.2 -16,-0.3 -0.950 68.0-117.2 171.4 172.0 10.6 40.1 12.2 20 20 A a E -A 57 0A 0 37,-3.4 37,-3.4 -2,-0.3 2,-0.4 -0.984 26.0-169.7-138.7 114.6 13.4 41.9 10.6 21 21 A Y E -AB 56 40A 34 19,-2.9 19,-2.9 -2,-0.4 2,-0.3 -0.941 1.8-172.2-111.9 129.3 16.6 40.0 9.8 22 22 A T E +AB 55 39A 24 33,-3.6 33,-3.4 -2,-0.4 2,-0.3 -0.933 9.3 170.2-121.9 140.1 19.8 41.7 8.6 23 23 A K E -AB 54 38A 42 15,-2.4 15,-2.7 -2,-0.3 2,-0.3 -0.994 9.7-172.9-154.4 152.6 23.1 40.0 7.3 24 24 A T E -AB 53 37A 2 29,-3.8 29,-3.1 -2,-0.3 2,-0.3 -0.950 2.6-179.2-142.6 155.9 26.4 40.8 5.7 25 25 A W E - B 0 36A 88 11,-2.2 11,-2.2 -2,-0.3 2,-0.2 -0.964 22.8-119.1-153.1 161.3 29.5 39.0 4.2 26 26 A c + 0 0 65 -2,-0.3 2,-0.3 25,-0.2 9,-0.1 -0.509 24.5 171.9-106.6 166.4 32.9 40.1 2.5 27 27 A D > - 0 0 69 -2,-0.2 3,-3.4 0, 0.0 2,-0.0 -0.909 59.5 -64.3-172.0 143.1 34.5 39.6 -1.0 28 28 A A T 3 S+ 0 0 98 1,-0.3 -2,-0.0 -2,-0.3 3,-0.0 0.419 133.8 45.2 1.8 -50.5 37.7 41.1 -2.7 29 29 A F T 3> S+ 0 0 135 2,-0.1 4,-0.9 1,-0.1 -1,-0.3 0.385 85.2 95.6 -93.6 -0.1 36.3 44.6 -2.7 30 30 A c H X> S+ 0 0 8 -3,-3.4 3,-3.4 3,-0.2 4,-2.9 0.923 81.4 50.2 -50.8 -91.4 34.9 44.8 1.0 31 31 A S H 34 S+ 0 0 94 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.684 120.7 28.7 -5.6 -89.1 37.8 46.5 2.7 32 32 A I H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.441 137.7 23.6 -72.5 2.5 38.4 49.5 0.5 33 33 A R H << S- 0 0 201 -3,-3.4 -2,-0.2 -4,-0.9 -1,-0.2 0.352 112.9 -85.1-149.8 -0.2 34.9 49.9 -0.8 34 34 A G < - 0 0 37 -4,-2.9 -1,-0.2 -3,-0.4 2,-0.1 -0.150 45.1 -72.9 108.8 161.1 32.3 48.3 1.7 35 35 A K - 0 0 36 33,-0.5 2,-0.7 -9,-0.1 -9,-0.2 -0.311 42.6-106.1 -84.5 165.4 30.7 45.0 2.5 36 36 A R E -B 25 0A 142 -11,-2.2 -11,-2.2 -2,-0.1 2,-0.4 -0.844 48.6-172.1 -94.5 124.5 28.1 43.0 0.6 37 37 A V E -B 24 0A 46 -2,-0.7 2,-0.4 -13,-0.2 -13,-0.2 -0.930 22.9-173.1-130.7 141.7 24.8 43.4 2.4 38 38 A D E -B 23 0A 63 -15,-2.7 -15,-2.4 -2,-0.4 2,-0.4 -0.996 6.8-170.7-135.1 131.1 21.3 42.0 2.4 39 39 A L E +B 22 0A 3 -2,-0.4 -33,-2.7 -17,-0.2 2,-0.3 -0.975 22.0 155.2-119.2 123.2 18.3 43.3 4.6 40 40 A G E -B 21 0A 2 -19,-2.9 -19,-2.9 -35,-0.4 2,-0.5 -0.987 44.8-120.6-156.9 168.5 14.8 41.4 4.8 41 41 A b + 0 0 33 -2,-0.3 -21,-0.2 -21,-0.2 -23,-0.1 -0.955 54.9 122.1-109.5 104.6 11.4 40.3 6.3 42 42 A A - 0 0 41 -2,-0.5 -23,-0.2 -25,-0.2 2,-0.1 0.041 63.1 -94.6-125.3-124.8 11.1 36.5 6.8 43 43 A A S S+ 0 0 50 1,-0.5 -25,-0.1 -25,-0.1 2,-0.1 -0.542 86.6 22.4-174.2 103.9 10.4 34.6 10.0 44 44 A T S S- 0 0 115 -27,-0.2 -1,-0.5 -2,-0.1 -2,-0.1 -0.031 104.9 -69.2 109.5 146.9 13.2 33.1 12.2 45 45 A d - 0 0 82 -2,-0.1 3,-0.1 -3,-0.1 11,-0.1 -0.485 69.4-122.5 -64.3 115.1 16.8 34.3 12.1 46 46 A P - 0 0 26 0, 0.0 -2,-0.1 0, 0.0 -24,-0.1 -0.212 34.9 -77.8 -59.6 162.0 17.6 33.0 8.5 47 47 A T - 0 0 109 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 -0.069 39.5-174.1 -55.9 152.3 20.6 30.6 7.9 48 48 A V + 0 0 74 -3,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.648 14.0 171.4-110.8 -82.5 24.1 31.9 7.9 49 49 A K - 0 0 176 3,-0.1 2,-0.1 1,-0.1 -2,-0.0 0.849 50.5 -13.3 47.6 112.6 26.4 29.0 6.9 50 50 A T S S+ 0 0 123 2,-0.1 2,-2.0 1,-0.0 -1,-0.1 -0.182 120.8 11.7 66.9-142.5 30.0 29.7 6.2 51 51 A G S S+ 0 0 59 -2,-0.1 2,-0.3 -26,-0.0 -25,-0.2 -0.250 102.9 100.6 -56.3 77.6 32.0 33.1 5.6 52 52 A V - 0 0 50 -2,-2.0 2,-0.3 -27,-0.1 -27,-0.2 -0.978 52.6-155.7-156.1 161.3 29.0 35.4 6.8 53 53 A D E +A 24 0A 46 -29,-3.1 -29,-3.8 -2,-0.3 2,-0.3 -0.994 22.3 164.1-145.1 136.9 27.7 37.5 9.7 54 54 A I E -A 23 0A 37 -2,-0.3 2,-0.3 -31,-0.3 -31,-0.3 -0.971 16.6-165.5-151.1 167.1 24.1 38.4 10.6 55 55 A Q E -A 22 0A 141 -33,-3.4 -33,-3.6 -2,-0.3 2,-0.3 -0.962 8.0-156.3-149.6 162.9 21.6 39.7 13.1 56 56 A d E -A 21 0A 32 -2,-0.3 2,-0.3 -35,-0.3 -35,-0.3 -0.977 5.5-172.4-145.7 154.6 17.9 40.0 13.7 57 57 A e E -A 20 0A 28 -37,-3.4 -37,-3.4 -2,-0.3 -2,-0.0 -0.961 26.8-143.9-151.0 154.1 15.3 41.9 15.5 58 58 A S + 0 0 91 -2,-0.3 -1,-0.1 -39,-0.2 -37,-0.0 0.948 69.6 108.8 -71.4 -62.5 11.6 41.9 16.2 59 59 A T > - 0 0 86 -40,-0.1 3,-3.1 -58,-0.1 -2,-0.1 0.108 68.1-138.5 -22.6 90.0 11.2 45.7 16.1 60 60 A D T 3 S+ 0 0 87 1,-0.3 -56,-0.4 -57,-0.1 -1,-0.1 0.693 100.1 50.7 -16.3 -73.2 9.3 46.7 12.9 61 61 A N T 3 S+ 0 0 105 -58,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.594 90.1 92.6 -41.6 -33.0 11.5 49.7 12.3 62 62 A e < + 0 0 31 -3,-3.1 -5,-0.2 1,-0.2 -42,-0.1 -0.616 45.8 87.2 -92.2 96.0 15.0 47.9 12.5 63 63 A N + 0 0 1 -2,-0.9 -1,-0.2 -60,-0.1 -42,-0.1 0.155 57.5 135.0-161.8 10.2 16.6 46.5 9.4 64 64 A P S S- 0 0 67 0, 0.0 -59,-0.1 0, 0.0 -54,-0.0 0.178 70.8 -65.0 -59.6-172.8 18.6 49.6 8.1 65 65 A F - 0 0 147 -26,-0.0 3,-0.2 -43,-0.0 4,-0.1 -0.727 64.3-136.4 -79.7 102.4 22.2 49.9 6.7 66 66 A P - 0 0 37 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.305 45.6 -49.6 -67.0 152.2 24.4 49.0 9.9 67 67 A T S > S- 0 0 92 4,-0.6 2,-9.9 1,-0.2 3,-2.8 0.206 90.8 -77.0 -21.0 107.0 27.6 50.8 11.1 68 68 A R T 3 S+ 0 0 222 1,-0.3 -33,-0.5 -3,-0.2 -1,-0.2 0.273 125.9 6.3 7.4 -13.6 29.6 51.0 7.8 69 69 A K T 3 S- 0 0 83 -2,-9.9 -1,-0.3 -35,-0.1 -2,-0.2 0.579 126.7 -58.0-152.9 -24.1 30.5 47.2 8.2 70 70 A R < 0 0 95 -3,-2.8 -2,-0.1 -47,-0.0 -46,-0.0 0.847 360.0 360.0 80.8 81.3 28.6 45.5 11.4 71 71 A P 0 0 125 0, 0.0 -4,-0.6 0, 0.0 -3,-0.2 -0.584 360.0 360.0 -43.0 360.0 29.5 47.1 13.7