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 03-MAR-17 5NCE .
COMPND MOL_ID: 1; MOLECULE: DEFENSIN-1; CHAIN: A; FRAGMENT: UNP RESIDUES 34-8 .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: PINUS SYLVESTRIS; ORGANISM_COMMON: SCO .
AUTHOR B.I.KHAIRUTDINOV,E.A.ERMAKOVA,E.K.BESSOLITSYNA,Y.Y.TOPORKOVA, N.B.TARA .
50 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
3282.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
31 62.0 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 .
12 24.0 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 .
8 16.0 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+3), SAME NUMBER PER 100 RESIDUES .
9 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
1 2.0 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 0 209 0, 0.0 48,-2.8 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 149.0 13.7 -6.3 4.8 A A
2 2 A M E -A 48 0A 155 46,-0.2 2,-0.7 44,-0.1 44,-0.0 -0.910 360.0-154.9-101.8 106.7 10.5 -5.6 3.1 A A
3 3 A a E -A 47 0A 35 44,-3.2 44,-1.6 -2,-0.8 2,-0.8 -0.792 1.0-155.8 -85.0 114.3 8.6 -3.2 5.2 A A
4 4 A K E -A 46 0A 91 -2,-0.7 42,-0.2 42,-0.2 28,-0.1 -0.851 17.3-175.4 -94.0 110.2 4.9 -3.5 4.6 A A
5 5 A T E -A 45 0A 36 40,-3.6 40,-3.8 -2,-0.8 2,-0.3 -0.893 29.4-111.5-110.1 131.8 3.4 -0.2 5.5 A A
6 6 A P E -A 44 0A 76 0, 0.0 38,-0.2 0, 0.0 2,-0.0 -0.511 38.9-113.0 -66.0 125.8 -0.4 0.5 5.5 A A
7 7 A S - 0 0 7 36,-1.8 36,-0.1 -2,-0.3 17,-0.1 -0.310 24.7-162.7 -59.4 138.4 -1.3 3.0 2.8 A A
8 8 A G S S+ 0 0 50 15,-0.1 -1,-0.1 1,-0.1 16,-0.1 0.842 83.5 32.4 -94.6 -37.7 -2.5 6.4 4.0 A A
9 9 A K S S+ 0 0 92 14,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.586 87.7 114.2-103.2 -3.2 -4.2 7.9 1.1 A A
10 10 A F + 0 0 23 33,-0.1 2,-0.5 10,-0.1 33,-0.1 -0.508 36.8 172.5 -71.7 121.4 -5.5 4.8 -0.5 A A
11 11 A K + 0 0 161 -2,-0.4 2,-0.3 2,-0.1 31,-0.0 -0.953 45.6 30.1-133.2 103.6 -9.2 4.7 -0.4 A A
12 12 A G S S- 0 0 52 -2,-0.5 2,-0.6 29,-0.1 31,-0.2 -0.939 96.5 -25.9 146.8-162.6 -10.8 1.9 -2.3 A A
13 13 A Y - 0 0 154 -2,-0.3 2,-1.8 27,-0.1 3,-0.4 -0.768 39.1-154.5 -95.3 117.9 -10.3 -1.6 -3.4 A A
14 14 A b + 0 0 0 27,-1.1 28,-0.1 -2,-0.6 3,-0.1 -0.610 43.8 139.5 -86.5 71.8 -6.8 -2.9 -3.9 A A
15 15 A V + 0 0 93 -2,-1.8 2,-0.3 1,-0.1 -1,-0.2 0.903 68.0 41.4 -76.9 -45.3 -7.6 -5.5 -6.4 A A
16 16 A N S > S- 0 0 84 -3,-0.4 4,-1.0 1,-0.1 3,-0.3 -0.758 75.4-140.3-103.7 144.9 -4.6 -4.9 -8.5 A A
17 17 A N H > S+ 0 0 71 -2,-0.3 4,-3.1 1,-0.2 15,-0.2 0.805 97.4 70.5 -73.2 -27.3 -1.2 -4.2 -7.0 A A
18 18 A T H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.846 97.8 48.0 -60.2 -38.3 -0.4 -1.6 -9.6 A A
19 19 A N H > S+ 0 0 49 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.936 115.1 45.7 -68.9 -42.5 -3.0 0.9 -8.1 A A
20 20 A c H X S+ 0 0 0 -4,-1.0 4,-3.2 2,-0.2 5,-0.3 0.935 111.1 55.1 -59.2 -46.4 -1.6 0.3 -4.7 A A
21 21 A K H X S+ 0 0 73 -4,-3.1 4,-3.2 11,-0.5 -2,-0.2 0.923 108.4 45.5 -53.4 -54.8 1.7 0.7 -6.2 A A
22 22 A N H X S+ 0 0 70 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.864 113.7 49.1 -62.4 -40.4 1.0 4.1 -7.7 A A
23 23 A V H X S+ 0 0 30 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.916 114.9 44.6 -67.6 -41.1 -0.7 5.4 -4.5 A A
24 24 A d H X>S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 5,-2.2 0.909 110.7 54.8 -67.2 -39.6 2.3 4.2 -2.5 A A
25 25 A R H <5S+ 0 0 143 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.822 111.8 45.0 -64.0 -30.5 4.7 5.6 -5.1 A A
26 26 A T H <5S+ 0 0 102 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.760 110.0 54.0 -82.5 -31.8 2.9 9.0 -4.6 A A
27 27 A E H <5S- 0 0 63 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.835 132.9 -87.4 -66.5 -35.0 2.9 8.7 -0.8 A A
28 28 A G T <5S+ 0 0 62 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.602 86.8 122.1 130.1 37.4 6.7 8.1 -0.9 A A
29 29 A F < - 0 0 33 -5,-2.2 -1,-0.3 -8,-0.2 18,-0.1 -0.940 62.5-130.7-126.2 147.1 7.2 4.4 -1.4 A A
30 30 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 17,-0.1 0.827 88.8 -9.9 -62.5 -32.3 9.1 2.5 -4.1 A A
31 31 A T E -B 46 0A 35 15,-1.3 15,-2.3 -7,-0.1 2,-0.3 -0.961 58.5-148.7-160.0 170.8 6.2 0.2 -4.5 A A
32 32 A G E -B 45 0A 0 -2,-0.3 -11,-0.5 13,-0.3 2,-0.3 -0.963 13.1-179.3-148.7 154.3 2.9 -0.9 -3.1 A A
33 33 A S E -B 44 0A 30 11,-3.4 11,-2.8 -2,-0.3 2,-0.2 -0.974 29.0 -97.7-156.7 158.6 1.0 -4.1 -3.1 A A
34 34 A b E -B 43 0A 21 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.534 33.1-179.3 -91.9 150.2 -2.3 -5.5 -1.8 A A
35 35 A D E -B 42 0A 33 7,-2.8 7,-3.0 -2,-0.2 2,-0.6 -0.918 22.9-134.2-141.1 159.4 -2.9 -7.4 1.3 A A
36 36 A F + 0 0 144 -2,-0.3 5,-0.1 5,-0.2 3,-0.1 -0.942 54.7 122.6-124.3 106.0 -5.9 -9.0 2.9 A A
37 37 A H S S+ 0 0 103 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.179 74.6 45.0-140.0 7.1 -6.4 -8.2 6.6 A A
38 38 A V S S- 0 0 63 2,-0.3 2,-1.8 -3,-0.1 -1,-0.2 -0.933 105.3 -77.5-148.3 161.0 -9.8 -6.7 6.3 A A
39 39 A A S S+ 0 0 103 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.511 113.9 13.6 -69.6 84.4 -13.0 -7.5 4.6 A A
40 40 A G S S- 0 0 13 -2,-1.8 2,-0.4 2,-0.0 -2,-0.3 -0.991 111.6 -47.4 148.2-144.9 -11.9 -6.3 1.3 A A
41 41 A R - 0 0 100 -2,-0.3 -27,-1.1 -29,-0.2 2,-0.5 -0.985 45.1-160.0-129.1 124.9 -8.5 -5.4 -0.1 A A
42 42 A K E - B 0 35A 44 -7,-3.0 -7,-2.8 -2,-0.4 2,-0.3 -0.883 13.9-135.6-111.3 128.3 -6.0 -3.3 1.7 A A
43 43 A c E - B 0 34A 0 -2,-0.5 -36,-1.8 -9,-0.2 2,-0.4 -0.604 23.0-172.7 -77.7 135.8 -3.2 -1.6 -0.0 A A
44 44 A Y E -AB 6 33A 27 -11,-2.8 -11,-3.4 -2,-0.3 2,-0.4 -0.987 17.3-133.0-130.7 146.7 0.2 -1.7 1.6 A A
45 45 A d E -AB 5 32A 0 -40,-3.8 -40,-3.6 -2,-0.4 2,-0.4 -0.779 16.3-147.5-101.9 138.3 3.3 0.0 0.7 A A
46 46 A Y E +AB 4 31A 55 -15,-2.3 -15,-1.3 -2,-0.4 -42,-0.2 -0.896 21.6 166.2-111.8 135.9 6.5 -1.7 0.5 A A
47 47 A K E -A 3 0A 73 -44,-1.6 -44,-3.2 -2,-0.4 2,-0.5 -0.994 38.9-105.2-146.9 142.4 9.8 -0.2 1.2 A A
48 48 A P E +A 2 0A 108 0, 0.0 -46,-0.2 0, 0.0 -2,-0.0 -0.575 39.9 171.5 -73.3 118.3 13.3 -1.7 1.9 A A
49 49 A a 0 0 30 -48,-2.8 -46,-0.0 -2,-0.5 -2,-0.0 -0.757 360.0 360.0-111.2 163.9 14.3 -1.6 5.4 A A
50 50 A P 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -48,-0.0 0.987 360.0 360.0 -64.5 360.0 17.5 -3.3 6.7 A A