DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
HEADER TOXIN 13-FEB-08 3C8P .
COMPND MOL_ID: 1; MOLECULE: VISCOTOXIN A1; CHAIN: A, B .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: VISCUM ALBUM; ORGANISM_COMMON: EUROPEA .
AUTHOR A.PAL,J.E.DEBRECZENI,M.SEVVANA,T.GRUENE,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) .
5933.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
58 63.0 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 .
4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
10 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
31 33.7 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 1 1 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 CHAIN AUTHCHAIN
1 1 A K 0 0 119 0, 0.0 34,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.6 30.2 17.6 20.2 A A
2 2 A S E -A 34 0A 22 32,-0.2 2,-0.4 44,-0.1 32,-0.2 -0.799 360.0-170.1 -90.2 136.9 30.1 15.2 17.2 A A
3 3 A a E -A 33 0A 0 30,-2.5 30,-3.0 -2,-0.4 36,-0.0 -0.997 7.6-162.0-131.2 123.8 26.7 14.4 15.8 A A
4 4 A b - 0 0 0 -2,-0.4 42,-2.6 28,-0.2 28,-0.1 -0.768 24.3-139.2-119.1 151.4 26.3 11.6 13.2 A A
5 5 A P S S- 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.744 84.1 -1.0 -74.6 -23.8 23.7 10.5 10.7 A A
6 6 A S S > S- 0 0 48 38,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.959 76.9 -95.5-157.0 166.1 23.9 6.8 11.3 A A
7 7 A T H > S+ 0 0 83 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.882 124.9 54.6 -59.9 -39.7 25.8 4.1 13.3 A A
8 8 A T H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 107.1 50.1 -59.8 -44.5 28.1 3.7 10.3 A A
9 9 A G H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.940 110.1 50.6 -57.1 -47.1 28.9 7.4 10.4 A A
10 10 A R H X S+ 0 0 47 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.916 111.2 48.4 -57.8 -44.2 29.6 7.2 14.2 A A
11 11 A N H X S+ 0 0 92 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.903 111.0 49.3 -68.2 -39.1 31.9 4.3 13.6 A A
12 12 A I H X S+ 0 0 68 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.937 113.1 48.5 -61.0 -46.9 33.8 6.0 10.8 A A
13 13 A Y H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.947 113.5 45.7 -58.8 -50.1 34.2 9.1 13.0 A A
14 14 A N H X S+ 0 0 75 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.899 113.9 47.8 -64.6 -42.0 35.4 7.2 16.0 A A
15 15 A T H >< S+ 0 0 92 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.938 111.0 52.1 -61.0 -47.4 37.9 5.1 14.0 A A
16 16 A c H ><>S+ 0 0 12 -4,-2.7 3,-1.7 1,-0.3 5,-0.9 0.904 102.9 59.4 -56.6 -40.0 39.2 8.3 12.3 A A
17 17 A R H ><5S+ 0 0 84 -4,-2.2 3,-0.9 1,-0.3 -1,-0.3 0.778 95.2 63.5 -66.7 -17.6 39.8 9.9 15.7 A A
18 18 A L T <<5S+ 0 0 152 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.617 93.3 64.3 -75.6 -13.6 42.1 7.1 16.7 A A
19 19 A T T < 5S- 0 0 94 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.475 116.5-108.2 -85.1 -7.5 44.5 8.2 13.9 A A
20 20 A G T < 5S+ 0 0 72 -3,-0.9 -3,-0.1 1,-0.3 -2,-0.1 0.473 71.8 144.8 87.9 3.3 45.3 11.6 15.4 A A
21 21 A S < - 0 0 39 -5,-0.9 -1,-0.3 1,-0.1 -2,-0.1 -0.395 52.7 -98.4 -72.9 155.3 43.2 13.3 12.7 A A
22 22 A S > - 0 0 56 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.199 26.1-111.3 -74.5 162.5 41.2 16.4 13.6 A A
23 23 A R H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 119.9 52.6 -60.8 -37.2 37.5 16.6 14.3 A A
24 24 A E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 109.2 47.7 -64.1 -45.1 37.0 18.4 11.1 A A
25 25 A T H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.935 115.5 45.3 -60.0 -46.4 38.8 15.8 9.0 A A
26 26 A c H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 6,-0.3 0.858 108.8 55.9 -70.8 -35.0 36.9 13.0 10.7 A A
27 27 A A H X>S+ 0 0 12 -4,-2.6 4,-1.3 -5,-0.2 5,-0.9 0.906 105.8 53.4 -61.7 -40.5 33.5 14.8 10.3 A A
28 28 A K H ><5S+ 0 0 158 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.940 111.0 43.5 -59.5 -50.6 34.1 15.0 6.6 A A
29 29 A L H 3<5S+ 0 0 119 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.742 120.8 41.4 -67.2 -24.3 34.7 11.3 6.1 A A
30 30 A S H 3<5S- 0 0 9 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.568 101.9-122.2-101.4 -13.3 31.8 10.3 8.4 A A
31 31 A G T <<5 + 0 0 31 -4,-1.3 -3,-0.2 -3,-0.5 -4,-0.1 0.589 67.6 138.5 71.5 12.4 29.1 12.7 7.4 A A
32 32 A b < - 0 0 2 -5,-0.9 2,-0.4 -6,-0.3 -1,-0.3 -0.426 47.3-133.1 -83.9 165.7 29.0 13.8 11.0 A A
33 33 A K E -A 3 0A 96 -30,-3.0 -30,-2.5 -2,-0.1 2,-0.6 -0.920 4.6-140.2-118.8 141.4 28.7 17.4 12.2 A A
34 34 A I E +A 2 0A 75 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.2 -0.936 32.1 176.3-102.4 123.2 30.7 19.1 14.9 A A
35 35 A I - 0 0 57 -34,-2.7 2,-1.6 -2,-0.6 -2,-0.0 -0.957 38.3-128.3-133.3 139.7 28.4 21.4 16.9 A A
36 36 A S S S+ 0 0 133 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.632 74.4 100.4 -87.2 80.1 28.9 23.5 20.0 A A
37 37 A A S S- 0 0 43 -2,-1.6 -2,-0.1 1,-0.0 3,-0.0 -0.955 75.9-123.3-155.8 164.0 26.0 22.1 21.9 A A
38 38 A S S S+ 0 0 104 -2,-0.3 2,-0.3 -37,-0.0 -2,-0.0 0.366 95.6 35.3 -96.1 0.7 25.3 19.6 24.7 A A
39 39 A T S S- 0 0 70 -38,-0.1 -36,-0.0 -36,-0.0 -4,-0.0 -0.913 79.5-117.2-144.6 165.7 22.9 17.5 22.6 A A
40 40 A a - 0 0 28 -2,-0.3 49,-0.4 5,-0.1 50,-0.1 -0.809 29.9-110.4-106.0 152.7 22.5 16.4 18.9 A A
41 41 A P > - 0 0 12 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.371 33.3-107.5 -75.1 160.7 19.7 17.3 16.6 A A
42 42 A S T 3 S+ 0 0 59 1,-0.3 -2,-0.0 2,-0.1 4,-0.0 0.738 117.5 57.7 -61.7 -24.7 17.3 14.7 15.5 A A
43 43 A N T 3 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.554 117.0 33.8 -86.0 -2.8 18.7 14.5 12.0 A A
44 44 A Y S < S+ 0 0 63 -3,-1.8 -1,-0.2 1,-0.1 -40,-0.2 -0.512 76.9 145.0-140.2 62.8 22.2 13.7 13.3 A A
45 45 A P 0 0 74 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 0.486 360.0 360.0 -90.0 -1.4 21.3 11.6 16.3 A A
46 46 A K 0 0 119 -42,-2.6 -43,-0.1 -3,-0.1 -44,-0.1 0.565 360.0 360.0 -99.9 360.0 24.1 9.0 16.5 A A
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 92 0, 0.0 34,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.7 5.1 16.3 23.6 B B
49 2 B S E -B 81 0B 14 32,-0.2 2,-0.4 30,-0.0 32,-0.2 -0.778 360.0-169.2 -92.9 137.1 4.9 18.6 20.5 B B
50 3 B d E -B 80 0B 0 30,-2.5 30,-2.7 -2,-0.4 36,-0.0 -0.995 8.7-161.7-130.4 123.5 8.3 20.0 19.2 B B
51 4 B e - 0 0 0 42,-2.7 42,-2.8 -2,-0.4 28,-0.1 -0.786 24.5-141.3-119.9 148.7 8.3 22.7 16.6 B B
52 5 B P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.686 84.2 2.9 -75.4 -20.4 10.8 24.2 14.2 B B
53 6 B S S > S- 0 0 49 38,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.955 77.0 -98.1-159.8 163.4 9.8 27.8 14.6 B B
54 7 B T H > S+ 0 0 75 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.897 123.9 54.2 -60.8 -38.9 7.5 30.2 16.5 B B
55 8 B T H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 107.5 49.4 -63.1 -44.2 5.1 30.1 13.5 B B
56 9 B G H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 110.4 51.0 -57.7 -44.8 5.0 26.3 13.7 B B
57 10 B R H X S+ 0 0 40 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.931 111.7 47.5 -56.0 -44.8 4.3 26.5 17.4 B B
58 11 B N H X S+ 0 0 87 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.907 111.8 49.1 -67.6 -41.9 1.4 29.0 16.8 B B
59 12 B I H X S+ 0 0 70 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.932 113.3 47.7 -59.0 -50.4 -0.1 26.9 14.0 B B
60 13 B Y H X S+ 0 0 9 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.945 112.9 47.3 -56.9 -49.8 0.1 23.7 16.1 B B
61 14 B N H X S+ 0 0 73 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.923 113.5 48.2 -61.9 -43.5 -1.5 25.5 19.2 B B
62 15 B T H >X S+ 0 0 91 -4,-2.5 3,-0.9 -5,-0.2 4,-0.5 0.938 109.8 52.0 -60.4 -47.5 -4.2 27.0 17.1 B B
63 16 B f H ><>S+ 0 0 11 -4,-2.8 3,-1.5 1,-0.3 5,-0.9 0.884 104.1 57.8 -59.0 -37.5 -5.0 23.7 15.4 B B
64 17 B R H ><5S+ 0 0 102 -4,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.823 96.1 63.5 -69.4 -20.6 -5.3 22.0 18.8 B B
65 18 B L H <<5S+ 0 0 154 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.664 93.9 62.8 -73.5 -15.6 -8.0 24.4 19.8 B B
66 19 B T T <<5S- 0 0 95 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.491 117.5-112.8 -80.8 -6.9 -10.2 23.0 17.0 B B
67 20 B G T < 5 + 0 0 68 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.467 68.5 147.3 80.6 3.7 -10.2 19.5 18.7 B B
68 21 B S < - 0 0 42 -5,-0.9 -1,-0.3 1,-0.1 -2,-0.1 -0.318 52.6 -93.8 -64.6 155.0 -8.1 18.1 15.9 B B
69 22 B S > - 0 0 56 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.148 26.2-111.5 -70.2 162.6 -5.6 15.4 16.8 B B
70 23 B R H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 119.5 50.4 -61.2 -41.3 -2.0 15.8 17.6 B B
71 24 B E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 110.2 49.6 -63.1 -44.1 -1.0 14.1 14.3 B B
72 25 B T H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.945 115.3 43.6 -57.2 -46.4 -3.3 16.3 12.3 B B
73 26 B f H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 6,-0.3 0.847 109.0 56.8 -72.7 -34.8 -1.9 19.4 13.9 B B
74 27 B A H X>S+ 0 0 12 -4,-2.7 4,-1.3 -5,-0.2 5,-1.0 0.902 105.4 53.3 -60.1 -41.4 1.7 18.2 13.6 B B
75 28 B K H ><5S+ 0 0 153 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.965 110.9 44.1 -59.1 -50.2 1.3 17.9 9.9 B B
76 29 B L H 3<5S+ 0 0 119 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.751 119.9 42.1 -65.4 -26.5 0.0 21.4 9.4 B B
77 30 B S H 3<5S- 0 0 9 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.530 101.9-122.1-101.9 -10.1 2.6 23.0 11.6 B B
78 31 B G T <<5 + 0 0 32 -4,-1.3 -3,-0.2 -3,-0.6 2,-0.1 0.623 68.4 136.8 68.0 15.6 5.8 21.1 10.7 B B
79 32 B e < - 0 0 3 -5,-1.0 2,-0.4 -6,-0.3 -1,-0.3 -0.420 48.6-131.6 -88.1 165.3 6.1 20.0 14.3 B B
80 33 B K E -B 50 0B 92 -30,-2.7 -30,-2.5 -2,-0.1 2,-0.6 -0.925 7.1-136.6-117.2 143.3 6.9 16.5 15.6 B B
81 34 B I E +B 49 0B 65 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.2 -0.920 32.3 173.2 -99.0 118.8 5.2 14.5 18.3 B B
82 35 B I - 0 0 55 -34,-3.2 2,-1.6 -2,-0.6 -2,-0.0 -0.985 34.9-134.3-127.4 132.7 7.8 13.0 20.6 B B
83 36 B S S S+ 0 0 129 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.619 72.8 95.9 -92.5 84.9 7.1 11.1 23.8 B B
84 37 B A S S- 0 0 50 -2,-1.6 -2,-0.1 2,-0.0 3,-0.0 -0.926 80.3-116.0-152.8 166.9 9.8 12.8 25.9 B B
85 38 B S S S+ 0 0 105 -2,-0.3 2,-0.3 -37,-0.0 -2,-0.0 0.609 95.0 41.4 -91.3 -8.7 9.8 15.7 28.3 B B
86 39 B T S S- 0 0 99 -38,-0.1 -36,-0.0 -36,-0.0 -2,-0.0 -0.881 76.4-123.2-134.0 162.8 12.1 17.9 26.2 B B
87 40 B d - 0 0 37 -2,-0.3 2,-0.1 5,-0.2 -38,-0.0 -0.751 28.9-107.9-106.0 152.1 12.5 18.8 22.5 B B
88 41 B P > - 0 0 27 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.338 34.5-105.1 -78.1 162.0 15.6 18.4 20.3 B B
89 42 B S T 3 S+ 0 0 60 -49,-0.4 -2,-0.0 1,-0.3 4,-0.0 0.752 119.1 54.1 -60.7 -28.4 17.7 21.4 19.2 B B
90 43 B N T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -50,-0.1 3,-0.1 0.599 119.3 33.2 -85.2 -13.4 16.3 21.2 15.6 B B
91 44 B Y S < S+ 0 0 52 -3,-1.5 -1,-0.3 1,-0.1 -40,-0.2 -0.504 78.5 144.1-131.6 63.1 12.7 21.4 16.8 B B
92 45 B P 0 0 72 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.567 360.0 360.0 -86.5 -9.4 13.1 23.5 19.9 B B
93 46 B K 0 0 118 -42,-2.8 -42,-2.7 -3,-0.1 -40,-0.1 -0.380 360.0 360.0 -96.9 360.0 9.9 25.6 19.9 B B