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 PLANT PROTEIN 09-DEC-04 1WUW .
COMPND MOL_ID: 1; MOLECULE: BETA-HORDOTHIONIN; CHAIN: A, B .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: HORDEUM VULGARE; ORGANISM_TAXID: 4513 .
AUTHOR K.A.JOHNSON,E.KIM,M.M.TEETER,S.W.SUH,B.STEC .
92 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
5850.1 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
50 54.3 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 .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
8 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
30 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
2 2.2 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 2 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 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 0 100 0, 0.0 33,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.6 47.3 27.4 26.7 A A
2 2 A S E -A 33 0A 0 31,-0.2 2,-0.4 33,-0.1 31,-0.2 -0.870 360.0-170.9-102.4 138.7 48.8 28.1 23.2 A A
3 3 A a E -A 32 0A 1 29,-2.6 29,-2.9 -2,-0.4 2,-0.2 -0.986 6.3-168.0-130.3 122.3 47.9 31.2 21.3 A A
4 4 A b - 0 0 0 41,-2.7 41,-2.5 -2,-0.4 27,-0.2 -0.677 25.9-131.0-117.2 163.3 49.0 31.7 17.7 A A
5 5 A R S S- 0 0 105 25,-0.4 2,-0.3 24,-0.3 -1,-0.1 0.761 83.1 -0.6 -85.0 -22.9 48.9 34.7 15.3 A A
6 6 A S S > S- 0 0 51 37,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.915 76.7 -93.9-157.2 172.4 47.4 33.0 12.3 A A
7 7 A T H > S+ 0 0 98 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.880 125.2 53.4 -65.4 -36.8 45.9 29.8 10.9 A A
8 8 A L H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.859 108.4 50.5 -65.5 -35.3 49.4 29.1 9.4 A A
9 9 A G H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.862 109.4 50.0 -69.1 -40.2 50.9 29.6 12.9 A A
10 10 A R H X S+ 0 0 42 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.917 111.4 48.7 -63.7 -43.7 48.4 27.2 14.5 A A
11 11 A N H X S+ 0 0 81 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.942 111.5 50.7 -59.5 -47.2 49.1 24.6 11.8 A A
12 12 A c H X S+ 0 0 7 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.954 112.5 46.3 -52.0 -54.0 52.9 25.1 12.5 A A
13 13 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 111.3 50.1 -61.5 -46.9 52.4 24.7 16.2 A A
14 14 A N H < S+ 0 0 87 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.896 115.1 44.2 -61.2 -40.5 50.2 21.6 16.0 A A
15 15 A L H >< S+ 0 0 44 -4,-2.5 3,-1.9 -5,-0.2 4,-0.4 0.959 112.6 50.6 -68.7 -48.1 52.6 19.8 13.6 A A
16 16 A d H >X S+ 0 0 1 -4,-3.0 4,-2.5 -5,-0.3 3,-1.1 0.846 103.0 63.1 -54.4 -36.4 55.7 20.8 15.6 A A
17 17 A R T 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.507 76.6 86.1 -73.2 -8.3 54.0 19.5 18.8 A A
18 18 A V T <4 S- 0 0 89 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.935 122.7 -4.7 -60.5 -39.5 53.9 15.9 17.5 A A
19 19 A R T <4 S+ 0 0 185 -3,-1.1 2,-0.2 -4,-0.4 -2,-0.2 0.552 121.4 84.1-126.4 -13.0 57.4 15.6 18.9 A A
20 20 A G S < S- 0 0 3 -4,-2.5 42,-0.1 -5,-0.2 43,-0.0 -0.609 74.7-112.0 -97.1 155.6 58.4 19.0 20.2 A A
21 21 A A > - 0 0 60 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.234 32.4-104.5 -74.3 166.5 57.7 20.6 23.5 A A
22 22 A Q H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 116.0 47.9 -61.1 -47.6 55.4 23.6 24.0 A A
23 23 A K H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.947 114.2 46.0 -65.4 -41.1 58.0 26.2 24.6 A A
24 24 A L H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 114.2 46.8 -65.4 -42.4 60.1 25.2 21.6 A A
25 25 A d H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.859 109.1 55.1 -71.3 -30.1 57.2 24.9 19.2 A A
26 26 A A H X>S+ 0 0 4 -4,-2.3 5,-2.5 -5,-0.2 4,-0.6 0.897 110.6 46.2 -67.8 -40.7 55.8 28.3 20.3 A A
27 27 A N H ><5S+ 0 0 116 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.944 113.5 48.7 -65.8 -45.3 59.1 30.0 19.5 A A
28 28 A A H 3<5S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.887 120.5 35.6 -59.6 -41.0 59.4 28.2 16.2 A A
29 29 A c H 3<5S- 0 0 11 -4,-2.3 -24,-0.3 -5,-0.2 -1,-0.2 0.303 109.1-117.4-100.6 7.7 55.9 29.1 15.1 A A
30 30 A R T <<5 + 0 0 119 -3,-0.9 -25,-0.4 -4,-0.6 2,-0.2 0.878 67.6 138.2 56.5 47.1 55.7 32.5 16.8 A A
31 31 A b < - 0 0 7 -5,-2.5 2,-0.4 -6,-0.2 -27,-0.2 -0.616 46.6-129.5-105.6 170.0 52.9 31.6 19.1 A A
32 32 A K E -A 3 0A 104 -29,-2.9 -29,-2.6 -2,-0.2 2,-0.4 -0.941 8.7-138.2-124.7 148.0 52.7 32.6 22.8 A A
33 33 A L E -A 2 0A 65 -2,-0.4 2,-0.3 -31,-0.2 -31,-0.2 -0.852 22.0-175.1-101.4 139.8 52.0 30.4 25.8 A A
34 34 A T - 0 0 43 -33,-2.7 5,-0.0 -2,-0.4 -2,-0.0 -0.986 28.8-149.5-135.7 145.5 49.7 31.6 28.5 A A
35 35 A S S S+ 0 0 131 -2,-0.3 -1,-0.1 3,-0.0 -33,-0.1 0.637 81.3 80.0 -82.5 -18.4 48.8 30.1 31.9 A A
36 36 A G S S- 0 0 29 2,-0.2 -2,-0.2 -35,-0.1 3,-0.0 0.158 87.4-118.2 -76.8-166.8 45.4 31.8 31.7 A A
37 37 A L S S+ 0 0 159 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.417 88.7 73.6-120.3 3.2 42.4 30.6 29.7 A A
38 38 A K S S- 0 0 163 -37,-0.1 -2,-0.2 -35,-0.0 -1,-0.1 -0.964 70.4-140.5-120.4 127.8 42.1 33.5 27.4 A A
39 39 A a - 0 0 23 -2,-0.4 2,-0.1 5,-0.1 -37,-0.0 -0.700 31.6-103.8 -83.9 140.0 44.3 34.3 24.4 A A
40 40 A P > - 0 0 57 0, 0.0 3,-3.9 0, 0.0 -1,-0.1 -0.377 32.1-119.4 -54.8 132.7 45.3 37.9 23.7 A A
41 41 A S T 3 S+ 0 0 112 1,-0.3 -2,-0.0 2,-0.1 4,-0.0 0.631 115.9 63.1 -58.2 -14.9 43.2 39.1 20.8 A A
42 42 A S T 3 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.579 111.0 38.4 -76.7 -19.7 46.6 39.6 19.0 A A
43 43 A F S < S+ 0 0 13 -3,-3.9 -1,-0.2 1,-0.1 -39,-0.2 -0.564 76.8 144.0-130.4 64.5 47.2 35.9 19.3 A A
44 44 A P 0 0 76 0, 0.0 -39,-0.2 0, 0.0 -5,-0.1 0.553 360.0 360.0 -89.9 -5.6 43.7 34.6 18.6 A A
45 45 A K 0 0 120 -41,-2.5 -41,-2.7 -3,-0.1 -38,-0.1 -0.419 360.0 360.0 -98.1 360.0 44.3 31.3 16.7 A A
46 !* 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
47 51 B K 0 0 109 0, 0.0 33,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.9 68.4 19.9 1.7 B B
48 52 B S E -B 79 0B 2 31,-0.2 2,-0.4 33,-0.1 31,-0.2 -0.745 360.0-170.6 -95.9 143.7 65.9 22.3 3.3 B B
49 53 B e E -B 78 0B 0 29,-2.6 29,-3.1 -2,-0.4 2,-0.3 -0.967 7.5-169.7-134.7 117.6 64.9 25.5 1.5 B B
50 54 B f - 0 0 0 41,-3.0 41,-2.9 -2,-0.4 27,-0.2 -0.743 27.6-127.6-116.0 159.9 62.8 28.2 3.3 B B
51 55 B R S S- 0 0 113 25,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.791 84.2 -9.6 -72.8 -33.7 61.0 31.3 2.2 B B
52 56 B S S > S- 0 0 47 37,-0.1 4,-2.3 39,-0.1 3,-0.2 -0.908 78.9 -86.6-154.8 175.6 62.5 33.7 4.7 B B
53 57 B T H > S+ 0 0 78 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.814 124.6 58.4 -63.1 -32.4 64.6 33.9 7.9 B B
54 58 B L H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 108.0 46.0 -61.8 -43.5 61.5 33.4 9.9 B B
55 59 B G H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.866 110.9 52.5 -67.1 -40.3 60.9 30.1 8.1 B B
56 60 B R H X S+ 0 0 41 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.944 110.9 45.8 -62.1 -44.5 64.5 29.1 8.5 B B
57 61 B N H X S+ 0 0 97 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.886 112.1 53.2 -71.0 -31.0 64.4 29.7 12.3 B B
58 62 B g H X S+ 0 0 8 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.967 112.3 44.6 -58.1 -52.2 61.1 27.9 12.5 B B
59 63 B Y H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 112.9 49.2 -62.3 -45.5 62.6 24.9 10.7 B B
60 64 B N H < S+ 0 0 85 -4,-2.8 4,-0.2 2,-0.2 -1,-0.2 0.921 114.5 44.9 -66.4 -39.1 65.8 24.7 12.6 B B
61 65 B L H >< S+ 0 0 65 -4,-2.0 3,-1.6 -5,-0.3 4,-0.4 0.927 112.6 51.5 -69.0 -43.6 64.0 24.9 16.0 B B
62 66 B h H >X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.3 3,-1.1 0.874 102.0 62.0 -53.8 -40.3 61.4 22.3 14.9 B B
63 67 B R T 3< S+ 0 0 77 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.557 79.5 84.3 -71.2 -4.0 64.2 19.9 13.8 B B
64 68 B V T <4 S- 0 0 75 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.916 122.5 -1.7 -62.9 -38.2 65.5 19.7 17.4 B B
65 69 B R T <4 S+ 0 0 169 -3,-1.1 -2,-0.2 -4,-0.4 2,-0.2 0.647 123.8 81.1-117.7 -24.7 62.9 17.0 18.0 B B
66 70 B G S < S- 0 0 4 -4,-3.1 2,-0.1 -5,-0.2 -50,-0.1 -0.476 73.6-111.5 -97.7 156.5 61.1 16.8 14.6 B B
67 71 B A > - 0 0 56 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.325 33.1-107.0 -76.4 160.3 61.7 15.1 11.3 B B
68 72 B Q H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 115.8 44.1 -54.6 -51.5 62.5 16.9 8.1 B B
69 73 B K H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 114.7 50.4 -66.3 -41.2 59.2 16.4 6.2 B B
70 74 B L H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.944 115.6 42.1 -57.5 -49.0 57.2 17.2 9.3 B B
71 75 B h H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 6,-0.2 0.793 109.9 56.4 -74.2 -30.6 59.2 20.5 9.9 B B
72 76 B A H X>S+ 0 0 2 -4,-2.4 5,-1.9 -5,-0.3 4,-0.6 0.925 111.1 44.8 -63.0 -46.3 59.2 21.5 6.3 B B
73 77 B N H ><5S+ 0 0 91 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.917 113.5 49.9 -66.3 -40.5 55.4 21.3 6.2 B B
74 78 B A H 3<5S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.897 120.3 35.1 -61.8 -37.9 55.1 23.2 9.5 B B
75 79 B g H 3<5S- 0 0 12 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.278 109.2-115.2-103.7 9.8 57.4 26.0 8.5 B B
76 80 B R T <<5 + 0 0 118 -3,-0.7 -25,-0.4 -4,-0.6 2,-0.2 0.818 66.7 141.5 53.4 40.7 56.5 26.2 4.8 B B
77 81 B f < - 0 0 11 -5,-1.9 2,-0.3 -6,-0.2 -27,-0.2 -0.643 46.9-126.2 -98.6 165.5 60.0 25.2 3.6 B B
78 82 B K E -B 49 0B 88 -29,-3.1 -29,-2.6 -2,-0.2 2,-0.4 -0.845 11.1-143.6-107.8 141.3 60.7 22.9 0.6 B B
79 83 B L E +B 48 0B 58 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.907 27.1 171.6-103.1 139.7 62.8 19.7 0.7 B B
80 84 B T - 0 0 36 -33,-2.3 5,-0.0 -2,-0.4 -2,-0.0 -0.990 39.3-148.6-142.2 152.6 65.0 19.0 -2.3 B B
81 85 B S S S+ 0 0 122 -2,-0.3 -1,-0.1 3,-0.0 -33,-0.1 0.570 72.4 107.9 -96.7 -5.0 67.7 16.6 -3.3 B B
82 86 B G S S- 0 0 32 1,-0.1 -2,-0.1 -35,-0.1 3,-0.0 -0.050 79.5-122.9 -54.2 165.2 69.2 19.3 -5.5 B B
83 87 B L S S+ 0 0 160 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.644 91.2 38.7 -92.3 -11.9 72.4 20.9 -4.3 B B
84 88 B K S S- 0 0 174 -37,-0.1 -2,-0.1 -35,-0.0 -1,-0.1 -0.964 82.9-112.9-137.1 159.0 71.0 24.4 -4.4 B B
85 89 B e - 0 0 37 -2,-0.3 -37,-0.0 5,-0.1 -2,-0.0 -0.608 33.7-107.7 -85.9 150.1 67.7 26.0 -3.4 B B
86 90 B P > - 0 0 47 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.294 35.4-111.4 -66.9 155.7 65.3 27.6 -5.9 B B
87 91 B S T 3 S+ 0 0 115 1,-0.3 -2,-0.1 2,-0.1 4,-0.0 0.779 114.6 62.1 -70.1 -22.6 65.3 31.4 -5.7 B B
88 92 B S T 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.683 112.8 37.1 -72.8 -18.3 61.8 31.6 -4.3 B B
89 93 B F S < S+ 0 0 30 -3,-1.5 -1,-0.3 1,-0.1 -38,-0.2 -0.614 76.5 150.0-129.6 67.1 62.9 29.6 -1.3 B B
90 94 B P 0 0 74 0, 0.0 -39,-0.2 0, 0.0 -5,-0.1 0.532 360.0 360.0 -86.7 -5.4 66.4 31.0 -0.7 B B
91 95 B K 0 0 124 -41,-2.9 -41,-3.0 -39,-0.0 -39,-0.1 -0.484 360.0 360.0-104.3 360.0 66.9 30.7 3.1 B B
92 !* 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
93 103 A S 0 0 84 -91,-0.1 -90,-0.1 -60,-0.0 -79,-0.0 0.000 360.0 360.0 360.0 360.0 48.2 23.1 24.1 A A
94 !* 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
95 105 B S 0 0 90 -48,-0.1 -46,-0.1 -47,-0.1 -35,-0.0 0.000 360.0 360.0 360.0 360.0 69.3 20.3 7.1 B B