==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 23-AUG-07 2V9B . COMPND 2 MOLECULE: VISCOTOXIN-B; . SOURCE 2 ORGANISM_SCIENTIFIC: VISCUM ALBUM; . AUTHOR J.E.DEBRECZENI,A.PAL,B.KAHLE,A.ZEECK,G.M.SHELDRICK . 92 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 57.6 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 . 3 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.3 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 0 108 0, 0.0 34,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.5 15.2 30.9 2.1 2 2 A S E -A 34 0A 15 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.729 360.0-175.4 -87.6 138.8 18.6 29.8 3.2 3 3 A a E -A 33 0A 0 30,-2.8 30,-2.9 -2,-0.4 36,-0.0 -0.999 7.2-158.9-136.8 131.4 20.7 32.4 5.1 4 4 A b - 0 0 0 42,-2.6 42,-2.4 -2,-0.4 28,-0.2 -0.842 23.8-132.8-121.8 149.4 24.2 31.7 6.1 5 5 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.773 86.9 -10.0 -68.6 -25.6 26.5 33.2 8.7 6 6 A N S > S- 0 0 78 38,-0.1 4,-2.1 40,-0.1 5,-0.1 -0.946 80.3 -85.2-163.2 175.3 29.4 33.6 6.3 7 7 A T H > S+ 0 0 77 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.853 121.5 55.2 -65.5 -38.1 30.7 32.7 2.9 8 8 A T H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 107.3 50.7 -64.4 -41.9 32.0 29.3 3.9 9 9 A G H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 110.4 50.3 -57.8 -44.6 28.7 28.3 5.3 10 10 A R H X S+ 0 0 44 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.928 109.6 50.5 -56.8 -45.5 27.1 29.4 2.0 11 11 A D H X S+ 0 0 84 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.909 111.5 47.6 -64.0 -40.4 29.6 27.4 0.1 12 12 A I H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.955 114.0 47.1 -62.3 -48.4 28.9 24.3 2.2 13 13 A Y H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.936 113.6 47.9 -56.2 -50.2 25.2 24.7 1.9 14 14 A N H X S+ 0 0 77 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.885 112.2 48.7 -61.8 -39.1 25.4 25.2 -1.9 15 15 A T H X S+ 0 0 62 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.899 110.7 50.3 -69.2 -42.3 27.6 22.3 -2.4 16 16 A c H <>S+ 0 0 5 -4,-2.7 5,-2.6 -5,-0.2 4,-0.5 0.917 113.6 47.1 -59.1 -41.6 25.4 20.0 -0.3 17 17 A R H ><5S+ 0 0 79 -4,-2.6 3,-1.4 -5,-0.2 -2,-0.2 0.906 107.0 55.7 -66.8 -43.9 22.5 21.3 -2.4 18 18 A L H 3<5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.8 52.6 -57.0 -34.5 24.3 20.8 -5.7 19 19 A G T 3<5S- 0 0 72 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.616 129.1 -94.8 -79.7 -8.1 24.8 17.2 -4.7 20 20 A G T < 5 + 0 0 66 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.490 69.9 152.4 113.6 5.0 21.1 16.6 -4.0 21 21 A G < - 0 0 8 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.266 47.1-105.6 -72.5 155.2 20.8 17.3 -0.3 22 22 A S > - 0 0 69 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.395 28.9-114.6 -73.5 157.1 17.6 18.5 1.3 23 23 A R H > S+ 0 0 147 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 113.4 45.1 -61.1 -47.5 17.4 22.0 2.5 24 24 A E H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 115.2 47.5 -68.3 -38.2 17.1 21.3 6.2 25 25 A R H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.951 113.1 48.8 -64.8 -46.6 19.9 18.7 6.1 26 26 A c H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 6,-0.3 0.877 109.1 53.1 -61.5 -37.5 22.1 21.1 4.2 27 27 A A H >X>S+ 0 0 3 -4,-2.5 4,-1.6 -5,-0.3 5,-1.1 0.937 110.1 48.2 -61.3 -45.7 21.4 23.9 6.5 28 28 A S H 3<5S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.3 50.0 -60.7 -40.7 22.4 21.7 9.4 29 29 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 37,-0.2 0.651 120.5 35.3 -69.5 -17.7 25.6 20.6 7.7 30 30 A S H <<5S- 0 0 4 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.557 105.0-113.3-113.8 -15.6 26.6 24.2 6.9 31 31 A G T <5S+ 0 0 28 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.517 73.0 134.3 83.9 4.2 25.5 26.3 9.9 32 32 A b < - 0 0 4 -5,-1.1 2,-0.4 -6,-0.3 -1,-0.3 -0.411 47.2-134.9 -81.6 163.3 22.9 28.0 7.7 33 33 A K E -A 3 0A 100 -30,-2.9 -30,-2.8 -2,-0.1 2,-0.6 -0.916 4.8-136.0-120.7 145.7 19.3 28.7 8.6 34 34 A I E +A 2 0A 51 -2,-0.4 2,-0.2 -32,-0.2 -32,-0.2 -0.930 34.5 175.1-100.0 120.3 16.2 28.3 6.7 35 35 A I - 0 0 53 -34,-3.0 5,-0.0 -2,-0.6 -2,-0.0 -0.711 38.9-123.1-122.0 172.7 13.9 31.3 7.2 36 36 A S S S+ 0 0 133 -2,-0.2 2,-0.3 3,-0.0 -34,-0.1 0.490 83.5 83.0 -98.2 -7.6 10.6 32.4 5.8 37 37 A A S S- 0 0 45 -36,-0.2 -2,-0.2 2,-0.1 0, 0.0 -0.699 73.6-134.0 -97.6 154.9 11.7 35.8 4.4 38 38 A S S S+ 0 0 102 -2,-0.3 2,-0.4 2,-0.1 -36,-0.1 0.548 88.2 65.1 -86.8 -8.3 13.4 36.4 1.1 39 39 A T S S- 0 0 105 -38,-0.1 -2,-0.1 -36,-0.0 -36,-0.1 -0.943 82.8-127.8-119.2 137.5 16.0 38.7 2.4 40 40 A a - 0 0 34 -2,-0.4 2,-0.1 5,-0.2 -2,-0.1 -0.614 24.4-112.1 -85.9 147.3 18.6 37.5 4.8 41 41 A P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.329 30.3-108.0 -76.4 155.3 19.3 39.3 8.0 42 42 A S T 3 S+ 0 0 115 1,-0.3 -2,-0.1 2,-0.1 4,-0.0 0.745 118.9 53.3 -59.4 -24.7 22.5 41.0 8.6 43 43 A D T 3 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.549 122.0 30.3 -85.8 -10.2 23.8 38.4 11.0 44 44 A Y S < S+ 0 0 75 -3,-1.6 -40,-0.3 1,-0.1 -1,-0.2 -0.541 83.7 145.9-131.8 62.9 23.1 35.5 8.5 45 45 A P 0 0 60 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 0.605 360.0 360.0 -86.5 -11.9 23.7 37.6 5.4 46 46 A K 0 0 120 -42,-2.4 -42,-2.6 -3,-0.1 -40,-0.1 -0.425 360.0 360.0 -94.4 360.0 25.2 35.2 3.0 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 0 113 0, 0.0 34,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.2 40.9 9.7 10.8 49 2 B S E -B 81 0B 22 32,-0.2 2,-0.5 34,-0.1 32,-0.2 -0.857 360.0-167.6 -95.9 136.9 40.1 12.8 8.8 50 3 B d E -B 80 0B 0 30,-2.8 30,-3.0 -2,-0.4 36,-0.0 -0.988 8.1-163.3-127.2 119.4 43.0 14.3 6.9 51 4 B e - 0 0 0 42,-2.8 42,-2.8 -2,-0.5 28,-0.1 -0.758 23.9-136.8-115.5 148.7 42.4 17.8 5.5 52 5 B P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.750 84.6 -10.3 -72.7 -21.9 44.3 19.7 2.9 53 6 B N S > S- 0 0 81 38,-0.1 4,-2.1 40,-0.1 5,-0.1 -0.942 79.8 -88.4-168.1 169.2 44.2 23.1 4.7 54 7 B T H > S+ 0 0 83 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.847 122.9 56.8 -68.7 -29.8 42.5 24.7 7.7 55 8 B T H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 107.2 50.0 -65.8 -37.8 39.5 25.8 5.6 56 9 B G H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.921 110.1 50.5 -63.9 -42.3 38.9 22.2 4.7 57 10 B R H X S+ 0 0 41 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.907 109.8 50.6 -56.1 -48.4 39.2 21.2 8.3 58 11 B D H X S+ 0 0 91 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.905 112.2 46.5 -60.6 -41.1 36.7 23.9 9.2 59 12 B I H X S+ 0 0 23 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 112.6 49.1 -64.6 -47.1 34.2 22.7 6.6 60 13 B Y H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 113.6 46.2 -58.0 -47.2 34.6 19.0 7.6 61 14 B N H X S+ 0 0 68 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.873 109.1 54.3 -68.8 -36.1 34.1 19.8 11.2 62 15 B T H X S+ 0 0 46 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.929 110.6 47.7 -58.4 -45.1 31.1 22.0 10.6 63 16 B f H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.4 0.922 111.5 49.0 -63.7 -40.4 29.5 19.2 8.7 64 17 B R H ><5S+ 0 0 109 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.921 107.4 55.7 -65.3 -40.7 30.3 16.7 11.4 65 18 B L H 3<5S+ 0 0 152 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.8 53.8 -59.4 -28.8 28.9 19.1 14.0 66 19 B G T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.256 128.1 -96.6 -89.4 8.2 25.7 19.0 11.9 67 20 B G T < 5S+ 0 0 56 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.526 71.0 151.1 95.0 7.7 25.4 15.3 12.0 68 21 B G < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.0 -0.392 46.2-112.5 -75.2 151.2 27.0 14.4 8.7 69 22 B S > - 0 0 63 1,-0.1 4,-2.7 -2,-0.1 5,-0.3 -0.301 30.0-106.7 -69.6 164.3 28.8 11.1 8.1 70 23 B R H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 120.5 48.6 -60.2 -44.2 32.5 11.1 7.6 71 24 B E H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 112.2 46.7 -64.7 -44.1 32.1 10.3 4.0 72 25 B R H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 114.8 47.3 -61.4 -47.6 29.6 13.0 3.3 73 26 B f H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 6,-0.3 0.866 108.4 55.0 -69.9 -34.3 31.7 15.5 5.2 74 27 B A H X>S+ 0 0 14 -4,-2.6 4,-2.4 -5,-0.3 5,-0.5 0.915 106.9 52.1 -59.9 -41.8 34.8 14.5 3.3 75 28 B S H <5S+ 0 0 99 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.1 44.7 -64.8 -34.8 33.0 15.1 0.1 76 29 B L H <5S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.750 122.8 36.0 -75.8 -26.7 32.0 18.6 1.1 77 30 B S H <5S- 0 0 14 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.668 98.5-120.3-104.7 -22.2 35.4 19.5 2.5 78 31 B G T <5 + 0 0 41 -4,-2.4 -3,-0.1 1,-0.3 -4,-0.1 0.459 67.8 137.0 84.9 4.2 38.0 17.9 0.3 79 32 B e < - 0 0 8 -5,-0.5 2,-0.4 -6,-0.3 -1,-0.3 -0.399 49.6-129.2 -77.1 158.0 39.3 16.0 3.2 80 33 B K E -B 50 0B 98 -30,-3.0 -30,-2.8 -3,-0.1 2,-0.7 -0.897 6.7-137.4-112.1 143.1 40.2 12.3 3.0 81 34 B I E -B 49 0B 57 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.2 -0.892 26.9-178.1 -97.8 112.4 39.1 9.6 5.4 82 35 B I - 0 0 35 -34,-2.7 2,-0.3 -2,-0.7 5,-0.0 -0.920 25.8-143.9-113.3 137.8 42.0 7.4 6.2 83 36 B S S S+ 0 0 124 -2,-0.4 2,-0.3 3,-0.0 -34,-0.1 -0.160 78.9 66.6 -96.7 44.2 41.6 4.4 8.4 84 37 B A S S- 0 0 64 -2,-0.3 -2,-0.2 -36,-0.1 0, 0.0 -0.899 88.3-109.6-151.5 175.0 45.0 4.8 10.0 85 38 B S S S+ 0 0 100 -2,-0.3 2,-0.7 1,-0.1 -3,-0.0 0.735 89.2 76.6 -91.7 -19.2 46.6 7.3 12.3 86 39 B T - 0 0 116 -38,-0.0 -1,-0.1 -36,-0.0 -36,-0.1 -0.799 65.8-151.3-103.0 115.6 49.1 9.1 10.0 87 40 B d - 0 0 29 -2,-0.7 2,-0.1 1,-0.1 -2,-0.1 -0.441 28.3-105.7 -70.0 147.7 47.8 11.6 7.6 88 41 B P > - 0 0 52 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.408 32.9-110.3 -67.5 155.9 49.8 12.1 4.4 89 42 B S T 3 S+ 0 0 115 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.763 117.9 59.2 -62.4 -24.7 51.8 15.3 4.3 90 43 B D T 3 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.560 111.9 39.6 -83.5 -6.1 49.6 16.7 1.6 91 44 B Y S < S+ 0 0 53 -3,-2.2 -1,-0.2 1,-0.1 -40,-0.2 -0.528 74.2 139.3-131.9 63.6 46.5 16.4 3.9 92 45 B P 0 0 71 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.403 360.0 360.0 -93.9 2.0 48.0 17.4 7.3 93 46 B K 0 0 121 -42,-2.8 -42,-2.8 -3,-0.1 -39,-0.1 -0.505 360.0 360.0-104.4 360.0 45.2 19.5 8.8