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 29-JUL-92 1GPT .
COMPND MOL_ID: 1; MOLECULE: GAMMA-1-H THIONIN; CHAIN: A; ENGINEERED: YES .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: HORDEUM VULGARE; ORGANISM_TAXID: 4513 .
AUTHOR M.BRUIX,M.A.JIMENEZ,J.SANTORO,C.GONZALEZ,F.J.COLILLA,E.MENDEZ,M.RICO .
47 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
3263.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
34 72.3 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 .
12 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
1 2.1 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 .
8 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
3 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
9 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
2 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 0 0 0 1 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 0 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 ANTIPARALLEL BRIDGES PER LADDER .
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 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 R 0 0 213 0, 0.0 46,-3.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 149.4 -12.5 -9.8 -3.3 A A
2 2 A I E -A 46 0A 70 44,-0.3 2,-0.3 45,-0.2 44,-0.2 -0.923 360.0-148.6-102.0 123.9 -9.9 -7.1 -3.0 A A
3 3 A a E -A 45 0A 29 42,-2.7 42,-1.6 -2,-0.6 2,-0.5 -0.713 3.4-151.4 -93.4 137.0 -7.7 -7.3 0.1 A A
4 4 A R E +A 44 0A 125 -2,-0.3 2,-0.4 40,-0.2 40,-0.2 -0.956 21.2 175.4-113.2 117.1 -6.2 -4.3 1.9 A A
5 5 A R E -A 43 0A 77 38,-2.8 38,-3.2 -2,-0.5 2,-0.1 -0.991 39.4 -99.9-125.3 133.8 -3.0 -5.1 3.7 A A
6 6 A R E -A 42 0A 144 -2,-0.4 2,-0.6 36,-0.2 36,-0.3 -0.362 51.3-101.2 -60.0 126.7 -0.6 -2.7 5.5 A A
7 7 A S > - 0 0 5 34,-2.0 3,-1.4 26,-0.2 2,-0.4 -0.306 35.6-150.5 -64.0 98.1 2.3 -1.9 3.2 A A
8 8 A A T 3 S+ 0 0 49 -2,-0.6 -1,-0.1 1,-0.2 19,-0.1 -0.575 80.5 17.7 -75.1 115.4 5.3 -4.0 4.3 A A
9 9 A G T 3 S+ 0 0 60 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.379 85.4 141.6 103.9 -0.8 8.6 -2.2 3.6 A A
10 10 A F < - 0 0 26 -3,-1.4 2,-1.2 31,-0.1 -1,-0.3 -0.618 57.5-117.5 -74.7 134.1 7.1 1.3 3.1 A A
11 11 A K - 0 0 192 -2,-0.4 -1,-0.1 8,-0.1 8,-0.0 -0.569 56.4 -75.6 -82.2 86.1 9.4 4.1 4.5 A A
12 12 A G S S+ 0 0 40 -2,-1.2 29,-0.3 2,-0.1 2,-0.2 -0.201 99.6 19.1 72.7-129.2 7.3 5.7 7.2 A A
13 13 A P S S- 0 0 63 0, 0.0 2,-1.9 0, 0.0 3,-0.4 -0.582 75.6-112.4 -81.7 149.8 4.5 8.1 6.3 A A
14 14 A b + 0 0 2 24,-1.1 3,-0.2 -2,-0.2 26,-0.1 -0.514 63.1 135.3 -84.4 76.4 2.7 8.4 2.9 A A
15 15 A V S S+ 0 0 112 -2,-1.9 2,-0.7 1,-0.2 -1,-0.2 0.767 74.9 50.2 -81.3 -44.5 3.8 11.8 1.7 A A
16 16 A S > - 0 0 46 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 -0.890 62.9-177.1 -98.1 104.0 4.5 10.2 -1.7 A A
17 17 A N H > S+ 0 0 97 -2,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.839 85.3 62.1 -55.0 -41.3 1.5 8.2 -2.9 A A
18 18 A K H > S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.958 101.8 50.0 -57.1 -45.3 3.6 7.2 -6.0 A A
19 19 A N H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.773 107.2 54.2 -70.2 -26.4 6.1 5.4 -3.8 A A
20 20 A c H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.907 106.4 51.7 -70.6 -39.4 3.3 3.5 -1.9 A A
21 21 A A H X S+ 0 0 32 -4,-2.1 4,-2.6 11,-0.2 -2,-0.2 0.970 113.9 45.7 -57.8 -44.0 2.0 2.2 -5.3 A A
22 22 A Q H X S+ 0 0 88 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.935 110.1 51.4 -62.4 -55.4 5.6 1.1 -6.0 A A
23 23 A V H X S+ 0 0 10 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.913 112.3 49.0 -52.5 -37.1 6.2 -0.6 -2.6 A A
24 24 A d H X>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.7 0.966 114.2 43.0 -66.4 -48.2 2.9 -2.5 -3.1 A A
25 25 A M H ><5S+ 0 0 124 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.924 111.8 55.4 -61.6 -39.8 3.9 -3.6 -6.7 A A
26 26 A Q H 3<5S+ 0 0 120 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.1 48.4 -55.1 -42.5 7.4 -4.4 -5.2 A A
27 27 A E H 3<5S- 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.545 128.1 -99.7 -74.1 -18.2 5.6 -6.6 -2.7 A A
28 28 A G T <<5S+ 0 0 48 -3,-1.3 2,-0.4 -4,-0.7 -3,-0.2 0.601 81.0 132.5 97.6 24.0 3.5 -8.4 -5.4 A A
29 29 A W < - 0 0 24 -5,-2.9 -1,-0.3 -6,-0.2 16,-0.2 -0.887 59.8-127.1-114.8 144.0 0.3 -6.3 -4.9 A A
30 30 A G S S- 0 0 54 -2,-0.4 2,-0.2 13,-0.1 15,-0.2 0.856 79.6 -15.4 -54.0 -66.2 -1.8 -4.6 -7.5 A A
31 31 A G E -B 44 0A 20 13,-2.7 13,-3.2 -7,-0.1 2,-0.3 -0.795 64.7-120.1-133.2 174.1 -2.0 -1.0 -6.3 A A
32 32 A G E -B 43 0A 21 11,-0.3 2,-0.4 -2,-0.2 11,-0.3 -0.939 17.8-162.7-127.4 148.5 -1.3 1.0 -3.0 A A
33 33 A N E -B 42 0A 68 9,-3.1 9,-3.3 -2,-0.3 2,-0.5 -0.991 16.2-133.8-135.0 131.6 -3.6 3.0 -0.9 A A
34 34 A b E -B 41 0A 32 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.760 32.9-146.6-100.4 125.6 -2.8 5.6 1.8 A A
35 35 A D E > > -B 40 0A 41 5,-2.1 3,-0.9 -2,-0.5 5,-0.8 -0.565 39.4 -30.2-111.3 147.0 -4.9 5.2 4.9 A A
36 36 A G T 3 5S+ 0 0 74 1,-0.3 -2,-0.0 -2,-0.2 5,-0.0 -0.289 134.9 4.9 61.5-114.8 -6.5 7.2 7.7 A A
37 37 A P T 3 5S- 0 0 103 0, 0.0 2,-1.2 0, 0.0 -1,-0.3 0.087 104.0-113.3 -80.4 17.8 -4.4 10.4 8.3 A A
38 38 A L T < 5S+ 0 0 77 -3,-0.9 -24,-1.1 2,-0.2 -3,-0.3 -0.130 96.2 107.9 74.2 -26.8 -2.2 9.3 5.2 A A
39 39 A R T 5S+ 0 0 117 -2,-1.2 2,-0.3 -26,-0.2 -1,-0.1 0.344 77.0 50.6 -63.2 2.0 0.7 8.8 7.6 A A
40 40 A R E