==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER POSTSYNAPTIC NEUROTOXIN 19-FEB-86 2ABX . COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; . AUTHOR R.LOVE,R.STROUD . 148 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 28.4 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 . 13 8.8 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 . 15 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 0 3 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 . 2 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 0 153 0, 0.0 21,-0.2 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 103.1 17.3 48.8 16.3 2 2 A V + 0 0 17 1,-0.3 2,-0.2 19,-0.2 21,-0.1 -0.031 360.0 46.3-151.7-107.3 20.7 48.3 14.7 3 3 A a - 0 0 2 19,-0.3 -1,-0.3 40,-0.2 2,-0.2 -0.395 25.6-174.6 -94.4 147.7 22.9 45.9 13.2 4 4 A H + 0 0 84 -2,-0.2 2,-0.2 10,-0.1 61,-0.2 -0.742 60.6 67.4-147.7 86.2 22.9 43.1 10.6 5 5 A T S S- 0 0 8 1,-0.8 8,-0.7 -2,-0.2 7,-0.5 -0.668 98.7 -29.9-163.8-151.0 26.1 41.2 10.4 6 6 A T + 0 0 36 -2,-0.2 -1,-0.8 5,-0.2 6,-0.2 0.251 65.1 142.5 -57.9-156.4 28.0 38.9 12.8 7 7 A A S S+ 0 0 4 2,-0.2 36,-0.2 -3,-0.1 5,-0.2 0.636 80.8 3.3 107.7 82.0 27.3 39.7 16.3 8 8 A T S S- 0 0 104 1,-0.1 3,-0.4 3,-0.1 6,-0.0 0.999 122.0 -56.9 61.7 78.0 27.1 36.5 18.3 9 9 A I S S+ 0 0 122 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 -0.345 112.3 12.6 70.4-137.4 27.8 33.9 15.8 10 10 A P S S- 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.790 95.2-136.7 -49.8 -19.4 26.6 32.7 12.4 11 11 A S - 0 0 39 -3,-0.4 -5,-0.2 1,-0.1 -4,-0.1 0.219 33.2-167.5 75.1 140.9 24.6 35.9 12.4 12 12 A S - 0 0 107 -7,-0.5 -1,-0.1 -6,-0.2 -6,-0.1 -0.121 60.7 -98.8-159.7 28.0 21.0 36.2 11.4 13 13 A A + 0 0 22 -8,-0.7 3,-0.2 1,-0.1 2,-0.1 0.209 66.5 171.5 70.1 -22.3 21.2 40.0 11.2 14 14 A V - 0 0 78 1,-0.2 -10,-0.1 -10,-0.1 -1,-0.1 0.062 35.1-136.7 30.7 -80.5 19.6 39.5 14.6 15 15 A T - 0 0 47 -8,-0.1 -1,-0.2 -10,-0.1 -11,-0.1 0.766 40.1-127.2 80.0 58.7 19.9 43.1 15.7 16 16 A b - 0 0 29 -3,-0.2 28,-0.1 -13,-0.1 7,-0.1 0.610 44.9 -16.2 14.1-142.3 21.0 42.1 19.1 17 17 A P S S- 0 0 60 0, 0.0 2,-0.0 0, 0.0 28,-0.0 0.692 77.1 -75.7 -67.2-135.9 19.8 42.8 22.6 18 18 A P S S+ 0 0 90 0, 0.0 2,-0.9 0, 0.0 3,-0.3 0.391 83.7 86.1-100.4-129.0 17.6 45.6 23.9 19 19 A G S S- 0 0 52 1,-0.2 3,-0.1 28,-0.0 28,-0.1 -0.552 86.8 -98.3 73.9 -97.6 18.6 49.3 24.4 20 20 A E S S+ 0 0 125 -2,-0.9 2,-0.2 1,-0.8 -1,-0.2 0.334 83.0 35.9 130.6 91.6 18.1 51.2 21.2 21 21 A N S S+ 0 0 94 -3,-0.3 -1,-0.8 1,-0.2 -19,-0.2 -0.130 77.3 16.7 114.6 153.7 21.2 51.7 19.0 22 22 A L - 0 0 19 41,-0.2 2,-0.3 -21,-0.2 -19,-0.3 0.711 38.3-127.5 51.0 175.9 24.3 50.0 18.0 23 23 A a - 0 0 9 41,-0.2 2,-0.8 -21,-0.1 37,-0.6 -0.958 33.0-118.6-156.0 128.1 26.6 47.1 17.6 24 24 A Y - 0 0 42 -2,-0.3 19,-1.0 35,-0.2 2,-0.2 -0.726 22.4-162.3 -82.6 102.0 30.2 46.8 18.8 25 25 A R E +A 42 0A 68 -2,-0.8 33,-0.4 17,-0.3 17,-0.3 -0.609 21.5 158.2 -83.3 142.8 33.0 46.3 16.2 26 26 A K E +A 41 0A 17 15,-1.2 15,-0.9 31,-0.2 31,-0.2 -0.690 28.9 12.2-169.8 121.5 36.4 45.1 17.5 27 27 A M + 0 0 24 29,-2.8 -1,-0.1 -2,-0.2 13,-0.1 -0.243 27.0 154.9 114.8 170.6 39.4 43.3 16.1 28 28 A W + 0 0 81 11,-0.2 2,-0.7 -2,-0.1 11,-0.4 -0.158 59.0 70.7 163.2 -66.4 41.3 42.1 13.2 29 29 A c - 0 0 26 1,-0.2 3,-0.1 8,-0.1 4,-0.1 0.072 60.0-158.9 -90.8 45.0 45.0 41.5 13.2 30 30 A D - 0 0 25 -2,-0.7 -1,-0.2 9,-0.2 25,-0.2 0.072 49.4 -90.4 35.1 -88.7 45.6 38.5 15.4 31 31 A A S S+ 0 0 97 -2,-0.1 -1,-0.2 24,-0.0 2,-0.1 0.441 117.9 79.5 162.4 10.7 49.2 38.9 16.3 32 32 A F + 0 0 110 3,-0.1 2,-2.8 -3,-0.1 -2,-0.1 -0.884 51.5 174.3-130.7 75.8 50.3 37.0 13.3 33 33 A c + 0 0 86 1,-0.2 3,-0.1 -2,-0.1 -3,-0.1 -0.189 36.3 133.8 -86.2 53.1 50.0 39.5 10.5 34 34 A S S S- 0 0 92 -2,-2.8 -1,-0.2 1,-0.4 2,-0.2 0.002 84.9 -65.1 -93.6 32.4 51.6 36.7 8.6 35 35 A S S S+ 0 0 86 1,-0.3 -1,-0.4 -6,-0.1 -3,-0.1 -0.587 105.6 46.5 112.4-171.3 48.8 37.6 6.2 36 36 A R - 0 0 177 -2,-0.2 -1,-0.3 -3,-0.1 34,-0.1 0.113 57.7-147.0 39.0-142.0 45.0 37.6 6.1 37 37 A G + 0 0 7 -3,-0.1 -1,-0.1 32,-0.1 -8,-0.1 0.245 41.1 131.6 142.6 80.6 43.0 39.0 9.1 38 38 A K + 0 0 131 -10,-0.1 2,-0.4 2,-0.1 -9,-0.1 -0.404 27.8 103.6-157.5 60.0 39.7 37.3 9.9 39 39 A V + 0 0 73 -11,-0.4 -9,-0.2 2,-0.1 2,-0.2 -0.824 59.6 172.4-137.5 90.8 39.0 36.3 13.5 40 40 A V - 0 0 53 -2,-0.4 2,-0.3 -13,-0.1 -13,-0.1 -0.509 41.8-152.9-108.1-180.0 36.7 39.0 14.7 41 41 A E E +A 26 0A 71 -15,-0.9 -15,-1.2 -2,-0.2 -35,-0.1 -0.843 34.8 138.1-128.8 156.2 34.3 40.4 17.2 42 42 A L E +A 25 0A 7 -2,-0.3 -17,-0.3 -17,-0.3 24,-0.2 0.254 37.5 102.1 151.1 55.3 31.5 42.7 16.1 43 43 A G - 0 0 3 -19,-1.0 2,-0.2 -36,-0.2 -40,-0.2 0.715 63.1-102.7-116.7 -90.8 28.3 42.0 17.9 44 44 A b + 0 0 15 -21,-0.3 3,-0.1 -20,-0.2 -21,-0.1 -0.714 30.4 166.8 154.2 150.2 26.5 43.7 20.7 45 45 A A S S- 0 0 66 1,-0.4 2,-0.5 -2,-0.2 -1,-0.1 0.225 71.2 -61.9 172.3 40.8 26.1 43.1 24.4 46 46 A A S S+ 0 0 72 -24,-0.1 -1,-0.4 -28,-0.1 2,-0.4 -0.961 109.1 4.1 109.0-112.6 24.6 46.2 26.0 47 47 A T S S- 0 0 107 -2,-0.5 -25,-0.1 -3,-0.1 -1,-0.1 -0.556 76.2-113.7-120.9 62.9 26.7 49.4 25.8 48 48 A d - 0 0 26 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 0.683 28.4-162.0 13.3 55.2 30.0 49.3 23.9 49 49 A P - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.773 46.0-115.8 -21.5 -27.8 31.8 49.8 27.3 50 50 A S - 0 0 26 8,-0.1 2,-0.3 75,-0.1 8,-0.1 -0.973 43.3-138.1 115.8 -86.1 34.1 50.7 24.5 51 51 A K - 0 0 34 -2,-0.6 6,-0.1 -3,-0.1 -25,-0.0 -0.989 23.9 -55.6 142.0-140.8 36.7 47.9 25.2 52 52 A K - 0 0 155 -2,-0.3 73,-0.0 73,-0.0 -2,-0.0 -0.378 45.1 -82.2-126.4-161.1 40.5 47.7 25.2 53 53 A P + 0 0 95 0, 0.0 4,-0.1 0, 0.0 70,-0.0 0.548 69.2 116.8 -85.7 -24.4 44.0 48.1 23.4 54 54 A Y S S- 0 0 118 2,-0.1 3,-0.1 -27,-0.0 -27,-0.1 0.307 88.4 -70.6 -29.9 175.5 44.7 45.1 21.2 55 55 A E S S+ 0 0 100 -25,-0.2 82,-0.1 1,-0.1 81,-0.0 0.425 102.1 21.5 -56.3-127.1 44.8 46.6 17.7 56 56 A E + 0 0 40 1,-0.1 -29,-2.8 80,-0.1 79,-0.2 0.086 67.0 145.1 -36.8 120.3 41.7 47.8 16.0 57 57 A V + 0 0 19 77,-1.2 77,-0.3 -31,-0.2 2,-0.3 -0.522 6.4 137.2-139.1-160.6 38.4 48.9 17.6 58 58 A T - 0 0 28 -33,-0.4 -8,-0.1 75,-0.2 75,-0.1 -0.895 42.3-102.6 152.3-162.6 35.2 51.1 17.7 59 59 A d + 0 0 19 -2,-0.3 73,-0.4 73,-0.2 -35,-0.2 -0.598 33.9 177.7-162.6 82.2 31.6 51.8 18.1 60 60 A e + 0 0 23 -37,-0.6 5,-0.1 71,-0.2 72,-0.1 0.663 10.5 168.3 -62.3-136.1 29.5 52.3 14.8 61 61 A S + 0 0 29 3,-0.8 4,-0.1 70,-0.1 -1,-0.1 0.436 33.6 125.5 127.3 30.7 25.7 53.0 15.0 62 62 A T S S- 0 0 75 2,-0.7 2,-0.2 -41,-0.0 3,-0.1 0.438 97.2 -65.9-100.6 -1.7 24.9 54.1 11.5 63 63 A D S S- 0 0 104 1,-0.6 -41,-0.2 -62,-0.0 2,-0.1 -0.633 111.5 -17.5 157.3 -83.6 22.3 51.6 10.7 64 64 A K - 0 0 76 -2,-0.2 -3,-0.8 -60,-0.1 -2,-0.7 0.408 68.3-177.0-112.0-146.4 24.2 48.3 10.7 65 65 A e + 0 0 46 -61,-0.2 -60,-0.1 -3,-0.1 -40,-0.0 0.284 38.1 67.3 165.6 -24.4 28.1 48.0 10.5 66 66 A N + 0 0 3 -24,-0.2 -61,-0.1 -60,-0.1 -59,-0.1 0.767 28.5 129.8-111.9 -30.7 30.4 44.9 10.4 67 67 A H - 0 0 120 -63,-0.2 -63,-0.0 1,-0.1 -25,-0.0 -0.128 59.3-131.0 -20.4 130.4 30.9 42.2 7.7 68 68 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.797 17.4 -95.8-109.9 138.1 34.7 42.3 7.4 69 69 A P S S+ 0 0 65 0, 0.0 2,-0.2 0, 0.0 -32,-0.1 0.676 79.8 38.4 -17.0-178.9 37.2 42.5 4.4 70 70 A K S S+ 0 0 172 1,-0.1 -32,-0.0 -34,-0.1 2,-0.0 -0.587 82.0 116.7 42.4-115.7 39.3 40.5 2.1 71 71 A R - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 -33,-0.0 -0.157 61.6 -70.8 79.2-177.4 37.1 37.5 1.6 72 72 A Q - 0 0 144 -2,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.891 61.7 -69.9-155.0 120.4 35.2 35.8 -1.2 73 73 A P 0 0 140 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.355 360.0 360.0 -15.7 51.8 32.2 36.6 -3.3 74 74 A G 0 0 107 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.336 360.0 360.0 158.5 360.0 29.6 36.2 -0.5 75 !* 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 76 1 B I 0 0 163 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 47.2 55.0 57.6 15.5 77 2 B V - 0 0 15 1,-0.2 63,-0.1 13,-0.2 21,-0.1 -0.300 360.0 -27.3 -92.0 165.8 51.3 58.1 15.7 78 3 B f - 0 0 0 61,-0.3 2,-1.1 40,-0.2 12,-0.7 0.022 45.7-146.2 -6.2 117.7 49.0 59.8 13.1 79 4 B H E S+B 89 0B 119 10,-0.1 2,-0.2 -3,-0.1 61,-0.2 -0.752 73.9 63.2-103.1 93.1 50.3 62.5 10.6 80 5 B T E S-B 88 0B 9 -2,-1.1 8,-2.0 8,-0.9 7,-0.4 -0.673 104.9 -19.3-167.5-144.8 47.3 64.6 10.3 81 6 B T + 0 0 14 -2,-0.2 60,-0.2 5,-0.2 -1,-0.1 -0.446 57.8 149.5 -73.1 152.9 45.4 66.8 12.8 82 7 B A S S- 0 0 3 2,-0.3 36,-0.2 -2,-0.2 9,-0.2 -0.166 78.8 -6.8 167.9 60.2 46.1 65.7 16.4 83 8 B T S S- 0 0 100 34,-0.6 4,-0.4 3,-0.1 6,-0.1 0.652 104.1 -41.8 91.0 130.8 45.6 69.2 17.7 84 9 B I S S+ 0 0 132 2,-0.1 -2,-0.3 -3,-0.1 3,-0.2 0.331 118.3 31.9 21.3-159.1 45.1 72.6 16.4 85 10 B P S S- 0 0 112 0, 0.0 2,-0.5 0, 0.0 64,-0.0 0.308 100.9-132.9 -20.9 83.0 46.8 74.1 13.4 86 11 B S + 0 0 39 1,-0.1 -5,-0.2 -5,-0.1 -2,-0.1 -0.553 55.2 144.2 -52.5 115.6 46.7 70.5 12.4 87 12 B S S S- 0 0 96 -2,-0.5 2,-1.2 -7,-0.4 -6,-0.2 -0.274 76.2 -81.8-160.5 68.2 50.3 69.6 11.1 88 13 B A E -B 80 0B 3 -8,-2.0 2,-1.8 1,-0.1 -8,-0.9 -0.537 46.9-163.2 59.0 -45.4 50.8 66.0 12.2 89 14 B V E -B 79 0B 67 -2,-1.2 -10,-0.1 1,-0.2 -1,-0.1 -0.462 19.7-139.4 74.2 -59.9 51.9 66.4 16.0 90 15 B T - 0 0 77 -2,-1.8 -1,-0.2 -12,-0.7 -13,-0.2 0.779 48.8-100.0 73.8 29.9 53.3 62.8 16.3 91 16 B g - 0 0 22 -3,-0.3 3,-0.1 -13,-0.3 29,-0.1 -0.124 32.0 -89.9 53.5-159.3 51.7 62.7 19.8 92 17 B P S S- 0 0 56 0, 0.0 3,-0.2 0, 0.0 29,-0.1 -0.305 86.8 -23.4-122.5-156.3 53.1 63.3 23.3 93 18 B P S S+ 0 0 121 0, 0.0 28,-0.4 0, 0.0 2,-0.4 0.116 106.4 64.4 -61.7 157.3 54.4 60.2 25.2 94 19 B G - 0 0 55 -3,-0.1 3,-0.1 26,-0.1 -3,-0.0 -0.839 64.7-131.7 146.6-104.8 53.1 56.8 24.1 95 20 B E + 0 0 139 -2,-0.4 -4,-0.0 1,-0.3 -18,-0.0 0.323 66.4 41.6 102.9 119.9 53.5 54.9 20.9 96 21 B N S S+ 0 0 105 42,-0.1 -1,-0.3 -2,-0.0 -19,-0.1 0.384 77.9 52.3 82.7 141.8 50.6 53.3 19.0 97 22 B L - 0 0 17 1,-0.1 2,-0.6 -3,-0.1 39,-0.2 0.883 44.2-149.4 61.7 137.9 47.0 54.4 18.4 98 23 B f - 0 0 1 41,-0.1 37,-1.6 -21,-0.1 2,-0.4 -0.959 25.8-152.0-108.9 112.5 45.4 57.5 16.9 99 24 B Y E -C 134 0C 36 -2,-0.6 19,-1.5 19,-0.5 2,-0.3 -0.715 14.1-175.7-105.4 138.0 41.9 58.0 18.5 100 25 B R E +CD 133 117C 45 33,-1.3 33,-0.5 -2,-0.4 2,-0.3 -0.794 5.5 173.6-120.7 160.0 38.9 59.7 16.8 101 26 B K E +CD 132 116C 27 15,-1.7 15,-0.9 -2,-0.3 31,-0.2 -0.954 34.6 34.3-165.6 153.0 35.3 60.8 17.6 102 27 B M + 0 0 65 29,-1.2 14,-0.3 -2,-0.3 -1,-0.2 0.533 29.3 177.4 77.3 148.7 32.1 62.7 16.4 103 28 B W S S+ 0 0 54 1,-0.2 2,-0.7 12,-0.1 11,-0.2 0.486 70.5 37.4-140.2 -55.4 30.4 63.1 12.9 104 29 B h S S- 0 0 37 1,-0.1 4,-0.2 9,-0.1 -1,-0.2 -0.889 74.9-138.1-113.5 106.4 27.1 65.2 12.9 105 30 B D - 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