==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-JUL-03 1OKH . COMPND 2 MOLECULE: VISCOTOXIN A3; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR J.E.DEBRECZENI,B.GIRMANN,A.ZEECK,G.M.SHELDRICK . 92 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 59.8 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 . 6 6.5 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 . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.3 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 2 0 0 0 2 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 133 0, 0.0 34,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.8 -1.5 18.2 4.2 2 2 A S E -A 34 0A 24 32,-0.2 2,-0.4 34,-0.1 32,-0.2 -0.759 360.0-168.3 -99.4 145.0 -0.2 15.5 6.6 3 3 A a E -A 33 0A 0 30,-2.8 30,-2.8 -2,-0.3 36,-0.0 -0.996 5.5-163.0-132.1 131.1 3.4 15.4 7.7 4 4 A b - 0 0 0 42,-2.7 42,-3.4 -2,-0.4 28,-0.2 -0.910 23.4-140.1-124.2 146.4 4.9 12.4 9.6 5 5 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.797 83.3 -10.4 -69.4 -26.8 8.1 12.0 11.6 6 6 A N S > S- 0 0 77 38,-0.1 4,-2.2 40,-0.1 3,-0.2 -0.960 77.5 -86.0-163.5 174.0 8.8 8.5 10.2 7 7 A T H > S+ 0 0 81 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.888 121.2 58.3 -60.0 -42.9 7.6 5.6 8.2 8 8 A T H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 109.3 46.2 -50.3 -48.5 5.9 4.0 11.2 9 9 A G H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 111.2 50.5 -64.6 -44.5 3.8 7.2 11.5 10 10 A R H X S+ 0 0 44 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.912 110.0 51.2 -62.6 -43.4 3.0 7.4 7.8 11 11 A N H X S+ 0 0 99 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.929 114.0 43.4 -52.8 -50.7 1.8 3.8 7.8 12 12 A I H X S+ 0 0 64 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.920 113.2 50.4 -67.9 -44.8 -0.5 4.4 10.8 13 13 A Y H X S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.945 113.4 46.4 -60.0 -47.3 -1.9 7.7 9.6 14 14 A N H X S+ 0 0 79 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.957 113.9 46.6 -63.3 -47.2 -2.7 6.3 6.2 15 15 A A H X S+ 0 0 56 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.916 112.9 51.3 -59.6 -40.4 -4.3 3.1 7.6 16 16 A c H ><>S+ 0 0 3 -4,-2.6 5,-1.3 -5,-0.2 3,-0.9 0.950 108.0 51.2 -62.2 -45.1 -6.3 5.2 10.0 17 17 A R H ><5S+ 0 0 75 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.859 101.3 62.1 -65.4 -31.6 -7.5 7.5 7.3 18 18 A L H 3<5S+ 0 0 156 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.778 97.4 58.2 -67.0 -21.4 -8.7 4.6 5.2 19 19 A T T <<5S- 0 0 34 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.631 120.5-111.7 -78.8 -6.0 -11.1 3.7 8.0 20 20 A G T < 5 + 0 0 57 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.454 64.3 152.9 90.5 3.1 -12.7 7.2 7.7 21 21 A A < - 0 0 3 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.396 53.7 -91.5 -67.9 148.3 -11.4 8.4 11.1 22 22 A P >> - 0 0 66 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.202 32.1-115.1 -60.2 146.9 -10.8 12.2 11.3 23 23 A R H 3> S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 113.0 54.8 -55.3 -41.9 -7.4 13.7 10.5 24 24 A P H 3> S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.872 110.1 47.4 -63.3 -32.3 -6.7 14.9 14.1 25 25 A T H <> S+ 0 0 13 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.938 112.3 48.2 -68.3 -47.1 -7.3 11.5 15.5 26 26 A c H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 6,-0.4 0.894 111.9 51.4 -61.6 -36.4 -5.1 9.8 12.9 27 27 A A H X>S+ 0 0 10 -4,-2.6 4,-2.1 -5,-0.2 5,-0.9 0.941 111.0 46.4 -64.2 -47.3 -2.5 12.4 13.6 28 28 A K H <5S+ 0 0 130 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.4 48.3 -64.0 -34.8 -2.5 11.8 17.3 29 29 A L H <5S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.829 121.6 34.4 -75.5 -28.4 -2.5 8.0 16.8 30 30 A S H <5S- 0 0 13 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.566 103.7-116.8-100.2 -18.4 0.4 8.2 14.4 31 31 A G T <5S+ 0 0 38 -4,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.576 74.2 129.7 82.8 7.9 2.5 11.0 15.6 32 32 A b < - 0 0 10 -5,-0.9 2,-0.3 -6,-0.4 -1,-0.3 -0.386 45.0-147.4 -87.4 171.1 1.9 12.9 12.4 33 33 A K E -A 3 0A 80 -30,-2.8 -30,-2.8 11,-0.1 2,-0.4 -0.967 8.9-127.2-138.9 157.2 0.7 16.5 12.1 34 34 A I E -A 2 0A 71 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.2 -0.890 26.0-175.5-105.4 134.8 -1.5 18.4 9.8 35 35 A I - 0 0 35 -34,-2.8 5,-0.1 -2,-0.4 -2,-0.0 -0.857 27.1-144.8-124.3 160.8 -0.3 21.7 8.2 36 36 A S S S+ 0 0 131 -2,-0.3 -1,-0.1 -34,-0.0 -34,-0.1 0.525 79.5 77.0 -99.1 -13.3 -2.1 24.2 5.9 37 37 A G S S- 0 0 38 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.130 85.6-115.9 -85.0-169.5 1.1 25.0 4.0 38 38 A S S S+ 0 0 103 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.693 89.5 70.6-101.6 -19.8 2.8 23.0 1.2 39 39 A T S S- 0 0 126 -38,-0.0 -2,-0.1 -36,-0.0 -1,-0.1 -0.845 72.5-139.6-105.7 119.5 6.2 22.2 2.8 40 40 A a - 0 0 32 -2,-0.6 -38,-0.0 -38,-0.1 -2,-0.0 -0.493 33.2-103.3 -67.0 144.5 6.4 19.7 5.7 41 41 A P > - 0 0 42 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.266 31.3-110.0 -63.1 154.9 8.8 20.7 8.4 42 42 A S T 3 S+ 0 0 117 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.665 117.9 55.8 -67.4 -19.3 12.2 18.9 8.4 43 43 A D T 3 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.399 111.8 44.8 -91.3 -1.9 11.3 16.9 11.6 44 44 A Y S < S+ 0 0 62 -3,-1.8 -40,-0.3 1,-0.1 -1,-0.2 -0.451 72.3 143.5-133.9 62.5 8.2 15.6 10.0 45 45 A P 0 0 78 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.410 360.0 360.0 -86.2 -1.0 9.5 14.6 6.6 46 46 A K 0 0 121 -42,-3.4 -42,-2.7 -3,-0.1 -40,-0.1 -0.542 360.0 360.0-112.4 360.0 7.5 11.5 5.8 47 !* 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 48 1 B K 0 0 133 0, 0.0 34,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.8 -18.5 -2.0 26.6 49 2 B S E -B 81 0B 22 32,-0.2 2,-0.4 34,-0.1 32,-0.2 -0.800 360.0-171.8 -94.9 141.4 -15.5 -2.5 24.2 50 3 B d E -B 80 0B 0 30,-2.3 30,-3.3 -2,-0.4 36,-0.0 -0.999 3.1-166.0-135.4 120.9 -14.7 -6.1 23.1 51 4 B e - 0 0 0 42,-2.5 42,-3.2 -2,-0.4 28,-0.2 -0.834 22.9-140.9-117.4 147.8 -11.6 -7.0 21.2 52 5 B P S S- 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.650 82.5 -6.1 -80.2 -13.3 -10.6 -10.1 19.2 53 6 B N S > S- 0 0 73 38,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.969 80.5 -86.4-167.2 174.1 -7.0 -10.1 20.3 54 7 B T H > S+ 0 0 83 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.856 121.0 58.6 -63.3 -37.8 -4.3 -8.2 22.2 55 8 B T H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 107.5 48.1 -54.9 -47.3 -3.3 -6.1 19.1 56 9 B G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 111.6 48.2 -62.3 -45.2 -6.9 -4.9 18.9 57 10 B R H X S+ 0 0 43 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.901 110.8 52.8 -63.1 -41.4 -7.0 -4.0 22.6 58 11 B N H X S+ 0 0 102 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.943 113.6 40.9 -59.6 -47.4 -3.7 -2.2 22.4 59 12 B I H X S+ 0 0 62 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.912 114.2 53.4 -70.1 -39.6 -4.8 0.0 19.4 60 13 B Y H X S+ 0 0 9 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.919 111.1 46.7 -56.7 -49.3 -8.3 0.5 21.0 61 14 B N H X S+ 0 0 76 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.911 112.3 48.5 -65.4 -43.4 -6.7 1.7 24.2 62 15 B A H X S+ 0 0 46 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.946 111.8 51.2 -62.3 -43.8 -4.2 4.1 22.5 63 16 B f H ><>S+ 0 0 0 -4,-2.8 5,-1.3 1,-0.2 3,-0.8 0.919 108.1 50.3 -58.6 -42.3 -7.0 5.5 20.3 64 17 B R H ><5S+ 0 0 89 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.873 103.9 60.1 -70.0 -28.9 -9.3 6.2 23.3 65 18 B L H 3<5S+ 0 0 159 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.693 96.7 60.7 -72.6 -15.9 -6.4 8.0 25.0 66 19 B T T <<5S- 0 0 35 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.563 122.8-107.7 -78.1 -9.7 -6.2 10.4 22.1 67 20 B G T < 5 + 0 0 66 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.487 68.4 147.8 101.1 4.6 -9.8 11.4 23.0 68 21 B A < - 0 0 2 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.376 52.8 -91.6 -83.4 157.2 -11.6 9.8 20.1 69 22 B P > - 0 0 72 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.244 33.4-116.9 -63.9 146.7 -15.1 8.2 20.1 70 23 B R H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 112.7 51.5 -56.0 -44.3 -15.5 4.6 20.9 71 24 B P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.908 110.4 50.8 -62.9 -33.5 -17.0 3.5 17.5 72 25 B T H > S+ 0 0 32 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.932 112.7 44.8 -64.6 -42.9 -14.0 5.3 15.8 73 26 B f H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 6,-0.3 0.846 111.3 54.8 -71.8 -33.9 -11.5 3.4 18.0 74 27 B A H >X>S+ 0 0 8 -4,-2.7 4,-2.0 -5,-0.2 5,-1.0 0.948 108.6 47.0 -57.4 -54.9 -13.4 0.2 17.5 75 28 B K H 3<5S+ 0 0 144 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.5 51.5 -55.2 -42.6 -13.2 0.4 13.7 76 29 B L H 3<5S+ 0 0 29 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.745 119.8 32.6 -66.6 -26.3 -9.5 1.3 13.9 77 30 B S H <<5S- 0 0 14 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.597 105.8-112.7-113.1 -14.3 -8.6 -1.7 16.0 78 31 B G T <5S+ 0 0 40 -4,-2.0 -3,-0.2 1,-0.3 -4,-0.1 0.441 74.9 129.7 84.8 7.2 -11.0 -4.4 15.0 79 32 B e < - 0 0 8 -5,-1.0 2,-0.3 -6,-0.3 -1,-0.3 -0.399 50.0-133.7 -82.7 167.2 -12.8 -4.3 18.3 80 33 B K E -B 50 0B 109 -30,-3.3 -30,-2.3 -2,-0.1 2,-0.6 -0.943 4.0-134.9-124.5 148.1 -16.6 -4.1 18.7 81 34 B I E -B 49 0B 67 -2,-0.3 2,-0.2 -32,-0.2 -32,-0.2 -0.920 25.4-172.5-102.8 121.0 -18.7 -1.9 20.9 82 35 B I - 0 0 39 -34,-2.7 5,-0.1 -2,-0.6 -2,-0.0 -0.701 26.1-143.7-105.9 161.5 -21.6 -3.7 22.6 83 36 B S S S+ 0 0 136 -2,-0.2 -1,-0.1 3,-0.1 -34,-0.1 0.774 81.1 74.1 -91.9 -25.0 -24.4 -2.2 24.7 84 37 B G S S- 0 0 41 2,-0.1 -2,-0.1 -36,-0.1 3,-0.1 0.107 87.7-113.8 -76.1-175.0 -24.5 -5.2 27.1 85 38 B S S S+ 0 0 96 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.540 91.0 66.1-108.1 -6.3 -22.0 -6.1 29.9 86 39 B T S S- 0 0 107 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.963 74.4-135.9-125.7 121.7 -20.5 -9.3 28.6 87 40 B d - 0 0 34 -2,-0.5 -2,-0.0 1,-0.1 -38,-0.0 -0.354 32.1-102.4 -66.7 146.5 -18.4 -9.5 25.5 88 41 B P > - 0 0 51 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.292 35.6-107.1 -65.7 162.0 -19.0 -12.4 23.1 89 42 B S T 3 S+ 0 0 113 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.732 118.2 54.1 -64.8 -24.6 -16.6 -15.3 23.2 90 43 B D T 3 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.447 110.8 47.0 -93.8 2.6 -14.8 -14.4 20.0 91 44 B Y S < S+ 0 0 48 -3,-1.7 -1,-0.3 1,-0.1 -40,-0.2 -0.486 71.6 139.5-128.4 61.4 -14.2 -10.8 21.2 92 45 B P 0 0 82 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.477 360.0 360.0 -90.3 -3.0 -12.8 -11.6 24.7 93 46 B K 0 0 122 -42,-3.2 -42,-2.5 -3,-0.1 -39,-0.1 -0.407 360.0 360.0 -96.2 360.0 -10.0 -9.1 25.0