==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PRESYNAPTIC NEUROTOXIN 29-APR-91 1DTX . COMPND 2 MOLECULE: ALPHA-DENDROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS ANGUSTICEPS; . AUTHOR T.SKARZYNSKI . 59 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 50.8 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 . 10 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 4 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.1 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 1 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 . 1 0 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 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 X 0 0 118 0, 0.0 7,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-130.4 16.2 -6.0 8.8 2 2 A P - 0 0 24 0, 0.0 56,-0.2 0, 0.0 55,-0.1 -0.313 360.0-112.2 -65.5 159.6 13.0 -4.3 9.9 3 3 A R S S+ 0 0 122 54,-1.0 2,-0.4 53,-0.1 54,-0.2 0.701 94.9 37.6 -67.4 -32.5 9.9 -6.4 10.1 4 4 A R S > S- 0 0 136 53,-0.1 3,-1.1 1,-0.1 4,-0.2 -0.948 75.3-126.0-124.4 160.6 8.0 -4.8 7.2 5 5 A K G > S+ 0 0 186 -2,-0.4 3,-1.4 1,-0.3 4,-0.3 0.758 106.3 67.2 -74.3 -25.8 9.0 -3.3 3.9 6 6 A L G > S+ 0 0 55 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.744 88.0 71.5 -63.0 -24.1 7.3 0.0 4.6 7 7 A a G < S+ 0 0 0 -3,-1.1 20,-0.3 1,-0.2 -1,-0.3 0.672 90.9 57.3 -66.4 -23.8 10.0 0.5 7.3 8 8 A I G < S+ 0 0 99 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.549 79.2 115.8 -84.2 -13.1 12.7 1.1 4.7 9 9 A L S < S- 0 0 68 -3,-0.9 18,-0.2 -4,-0.3 2,-0.2 -0.360 75.2-107.4 -62.3 143.6 11.0 4.0 3.0 10 10 A H - 0 0 155 1,-0.1 35,-0.2 16,-0.1 2,-0.2 -0.450 44.6 -95.4 -67.2 138.3 12.7 7.3 3.2 11 11 A R - 0 0 100 -2,-0.2 -1,-0.1 -3,-0.1 35,-0.1 -0.415 48.3-178.0 -55.6 136.7 11.1 9.7 5.6 12 12 A N - 0 0 69 33,-0.3 31,-0.5 -2,-0.2 26,-0.1 -0.968 24.8-167.3-149.3 118.0 8.7 12.1 3.8 13 13 A P - 0 0 51 0, 0.0 25,-2.5 0, 0.0 27,-0.4 0.643 40.0-135.7 -72.4 -22.5 6.7 15.0 5.3 14 14 A G - 0 0 24 1,-0.2 27,-0.2 23,-0.1 29,-0.0 -0.366 28.8 -76.3 91.9-171.4 4.4 15.5 2.3 15 15 A R S S+ 0 0 192 25,-0.2 -1,-0.2 -2,-0.1 26,-0.1 0.247 88.4 104.2-121.1 13.4 3.5 18.9 0.8 16 16 A b S S- 0 0 56 24,-0.6 23,-0.1 -3,-0.3 22,-0.1 -0.194 71.9-116.8 -87.7-177.5 0.9 20.3 3.1 17 17 A Y S S+ 0 0 233 22,-0.1 22,-0.2 21,-0.0 -1,-0.1 0.413 77.0 98.2-108.1 5.0 1.2 23.1 5.7 18 18 A D - 0 0 105 20,-2.2 2,-0.3 22,-0.0 22,-0.1 -0.205 60.3-145.2 -78.9 177.1 0.3 21.2 9.0 19 19 A K + 0 0 64 20,-0.1 19,-0.2 16,-0.0 -2,-0.0 -0.784 22.4 178.7-146.1 85.5 3.1 19.9 11.4 20 20 A I E -A 37 0A 58 17,-3.5 17,-3.1 -2,-0.3 2,-0.3 -0.882 30.2-124.8 -96.4 119.7 1.8 16.7 12.9 21 21 A P E +A 36 0A 100 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.531 50.2 146.9 -70.0 127.4 4.3 15.0 15.3 22 22 A A E -A 35 0A 6 13,-2.9 13,-2.2 -2,-0.3 2,-0.3 -0.908 39.2-120.3-149.8 176.5 4.9 11.5 14.2 23 23 A F E -AB 34 47A 48 24,-2.9 24,-3.2 -2,-0.3 2,-0.3 -0.890 19.4-178.7-123.7 153.2 7.5 8.7 14.0 24 24 A Y E -A 33 0A 20 9,-2.1 9,-2.7 -2,-0.3 2,-0.5 -0.972 36.1-101.5-142.0 161.1 9.1 6.8 11.1 25 25 A Y E -A 32 0A 13 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.691 24.9-148.9 -87.0 122.1 11.7 4.1 11.1 26 26 A N E >> -A 31 0A 28 5,-2.7 4,-1.8 -2,-0.5 5,-1.5 -0.806 9.7-169.2 -93.9 99.3 15.2 5.1 10.3 27 27 A Q T 45S+ 0 0 82 -2,-1.0 -1,-0.2 -20,-0.3 -19,-0.1 0.888 83.7 54.2 -57.5 -47.3 16.8 2.1 8.5 28 28 A K T 45S+ 0 0 114 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.840 120.0 30.4 -60.1 -37.6 20.3 3.6 8.6 29 29 A K T 45S- 0 0 114 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.470 102.9-129.1 -98.4 -15.2 20.3 4.2 12.4 30 30 A K T <5 + 0 0 158 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.844 70.0 98.7 64.0 43.6 18.0 1.3 13.2 31 31 A Q E S- 0 0 60 -26,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.904 75.4-122.4-131.2 154.3 3.3 6.8 18.5 50 50 A I H > S+ 0 0 62 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.832 113.2 59.8 -64.6 -32.2 6.8 5.5 19.1 51 51 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 105.2 47.6 -63.1 -46.3 5.2 2.3 20.4 52 52 A E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.859 112.6 48.8 -56.8 -47.2 3.5 1.7 17.1 53 53 A c H X>S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.5 0.935 112.6 49.4 -59.5 -50.8 6.8 2.3 15.2 54 54 A R H X>S+ 0 0 124 -4,-2.7 5,-3.5 1,-0.2 4,-2.3 0.942 113.1 43.6 -57.1 -54.6 8.7 -0.0 17.5 55 55 A R H <5S+ 0 0 137 -4,-2.5 -1,-0.2 4,-0.3 -2,-0.2 0.865 117.5 46.4 -55.4 -46.3 6.2 -3.0 17.2 56 56 A T H <5S+ 0 0 28 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.900 130.3 16.9 -65.4 -47.3 5.8 -2.6 13.5 57 57 A a H <5S+ 0 0 1 -4,-2.7 -54,-1.0 -5,-0.2 -3,-0.2 0.628 140.5 21.0-105.5 -27.5 9.4 -2.3 12.4 58 58 A I T << 0 0 67 -4,-2.3 -3,-0.2 -5,-0.5 -4,-0.1 0.789 360.0 360.0-107.5 -53.3 11.5 -3.5 15.3 59 59 A G < 0 0 76 -5,-3.5 -4,-0.3 -6,-0.1 -5,-0.1 0.686 360.0 360.0 109.3 360.0 9.2 -5.7 17.5