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 TOXIN 15-MAR-95 1BHP .
COMPND MOL_ID: 1; MOLECULE: BETA-PUROTHIONIN; CHAIN: A .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; ORGANISM_COMMON: BR .
AUTHOR M.M.TEETER,B.STEC,U.RAO .
45 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
3576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
25 55.6 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 .
4 8.9 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 .
4 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
14 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
1 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 1 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER .
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 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 0 134 0, 0.0 33,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.5 10.5 8.6 24.7 A A
2 2 A S E -A 33 0A 21 31,-0.2 2,-0.4 29,-0.0 31,-0.2 -0.869 360.0-169.4-103.4 145.0 14.2 8.2 25.5 A A
3 3 A a E -A 32 0A 0 29,-2.8 29,-2.5 -2,-0.4 2,-0.3 -0.988 4.7-164.0-136.0 118.0 16.4 11.2 25.1 A A
4 4 A b E -A 31 0A 0 41,-3.1 41,-3.5 -2,-0.4 27,-0.2 -0.681 22.2-139.0-104.1 157.1 20.2 10.9 25.2 A A
5 5 A K S S+ 0 0 111 25,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.837 84.5 16.1 -80.9 -35.8 22.9 13.5 25.7 A A
6 6 A S S > S- 0 0 56 37,-0.1 4,-1.8 39,-0.1 3,-0.1 -0.889 76.1-110.0-135.8 168.2 25.4 12.1 23.1 A A
7 7 A T H > S+ 0 0 90 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.773 119.9 58.3 -63.4 -31.5 25.5 9.8 20.1 A A
8 8 A L H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 106.3 46.1 -62.9 -46.9 27.6 7.5 22.4 A A
9 9 A G H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.836 110.5 55.4 -67.8 -36.1 24.8 7.3 24.9 A A
10 10 A R H X S+ 0 0 48 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.957 110.6 42.8 -64.4 -49.2 22.3 6.7 22.1 A A
11 11 A N H X S+ 0 0 113 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.915 114.2 54.6 -61.7 -38.9 24.2 3.7 20.8 A A
12 12 A c H X S+ 0 0 49 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.935 110.4 43.9 -57.9 -51.4 24.6 2.6 24.4 A A
13 13 A Y H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.931 112.0 51.3 -62.3 -48.7 20.8 2.8 25.0 A A
14 14 A N H < S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.3 43.5 -58.2 -39.3 19.8 1.0 21.8 A A
15 15 A L H >< S+ 0 0 139 -4,-2.1 3,-1.9 -5,-0.2 4,-0.4 0.901 111.6 54.6 -72.4 -41.8 22.2 -1.9 22.4 A A
16 16 A d H >X S+ 0 0 35 -4,-2.3 4,-2.1 -5,-0.3 3,-1.6 0.858 97.3 64.8 -58.5 -39.0 21.2 -2.1 26.1 A A
17 17 A R T 3< S+ 0 0 102 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.541 81.7 79.4 -64.5 -9.2 17.5 -2.4 25.1 A A
18 18 A A T <4 S+ 0 0 75 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.861 121.1 3.6 -66.6 -32.4 18.3 -5.8 23.5 A A
19 19 A R T <4 S+ 0 0 241 -3,-1.6 2,-0.2 -4,-0.4 -2,-0.2 0.493 122.4 68.7-129.0 -7.5 18.2 -7.2 27.0 A A
20 20 A G S < S- 0 0 15 -4,-2.1 2,-0.1 -5,-0.1 3,-0.0 -0.719 76.2-102.7-119.5 165.0 17.3 -4.5 29.5 A A
21 21 A A > - 0 0 60 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.429 36.6-109.0 -77.4 160.6 14.3 -2.4 30.4 A A
22 22 A Q H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.943 116.9 49.4 -51.5 -58.3 13.9 1.3 29.3 A A
23 23 A K H > S+ 0 0 159 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.803 113.3 44.1 -55.4 -40.9 14.5 2.6 32.9 A A
24 24 A L H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 115.2 48.9 -75.4 -39.0 17.6 0.6 33.6 A A
25 25 A d H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.863 107.2 55.2 -65.4 -38.1 19.1 1.3 30.1 A A
26 26 A A H <>S+ 0 0 6 -4,-2.6 5,-3.3 -5,-0.2 4,-0.3 0.945 110.3 47.7 -60.0 -48.3 18.4 5.1 30.5 A A
27 27 A N H ><5S+ 0 0 127 -4,-1.4 3,-0.7 1,-0.2 -2,-0.2 0.886 114.3 42.6 -57.0 -51.9 20.4 5.1 33.8 A A
28 28 A V H 3<5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.731 119.5 43.2 -71.5 -29.2 23.4 3.2 32.6 A A
29 29 A c T 3<5S- 0 0 9 -4,-1.9 -1,-0.2 -5,-0.2 -16,-0.2 0.280 112.1-118.2-101.3 11.5 23.6 5.1 29.2 A A
30 30 A R T < 5 + 0 0 181 -3,-0.7 -25,-0.6 -4,-0.3 -3,-0.2 0.844 67.8 137.0 53.0 45.9 22.9 8.4 31.0 A A
31 31 A b E < -A 4 0A 13 -5,-3.3 2,-0.4 -6,-0.2 -27,-0.2 -0.549 46.6-132.0-107.8 172.4 19.7 9.0 29.0 A A
32 32 A K E -A 3 0A 114 -29,-2.5 -29,-2.8 -2,-0.2 2,-0.4 -0.969 6.7-140.1-129.3 144.3 16.4 10.3 30.3 A A
33 33 A L E -A 2 0A 56 -2,-0.4 2,-0.3 -31,-0.2 -31,-0.2 -0.875 25.6-168.5-101.7 136.7 12.9 8.9 29.6 A A
34 34 A T - 0 0 47 -33,-3.1 5,-0.0 -2,-0.4 -2,-0.0 -0.936 30.1-147.0-125.5 153.7 10.2 11.6 29.0 A A
35 35 A S S S+ 0 0 136 -2,-0.3 -1,-0.1 2,-0.0 2,-0.0 0.602 78.3 93.4 -86.8 -16.9 6.4 11.5 28.9 A A
36 36 A G S S- 0 0 36 2,-0.2 -2,-0.2 -35,-0.1 0, 0.0 -0.267 84.1-123.5 -71.7 162.1 6.5 14.3 26.3 A A
37 37 A L S S+ 0 0 169 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 0.444 93.5 48.2 -85.0 -5.3 6.6 13.7 22.5 A A
38 38 A S S S- 0 0 94 -37,-0.1 -2,-0.2 -35,-0.0 -35,-0.0 -0.907 84.0-113.8-134.6 160.6 9.9 15.7 22.1 A A
39 39 A a - 0 0 42 -2,-0.3 -2,-0.0 1,-0.1 -37,-0.0 -0.731 34.0-107.6 -96.5 148.3 13.2 15.7 23.8 A A
40 40 A P > - 0 0 54 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.201 35.5-105.1 -66.8 160.9 14.6 18.7 25.8 A A
41 41 A K T 3 S+ 0 0 181 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.772 119.5 55.2 -57.7 -34.5 17.4 20.7 24.3 A A
42 42 A D T 3 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.393 110.2 43.5 -84.3 -0.1 19.9 19.2 26.6 A A
43 43 A F S < S+ 0 0 17 -3,-1.5 -1,-0.2 1,-0.1 -38,-0.2 -0.526 70.8 143.1-141.7 62.7 19.1 15.5 25.7 A A
44 44 A P 0 0 80 0, 0.0 -39,-0.2 0, 0.0 -5,-0.1 0.299 360.0 360.0 -90.1 2.8 18.9 15.7 21.9 A A
45 45 A K 0 0 121 -41,-3.5 -41,-3.1 -39,-0.1 -38,-0.1 -0.510 360.0 360.0-107.9 360.0 20.4 12.5 20.8 A A