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 18-SEP-02 1MR4 .
COMPND MOL_ID: 1; MOLECULE: NICOTIANA ALATA PLANT DEFENSIN 1 (NAD1); CHAIN: A .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; ORGANISM_COMMON: CO .
AUTHOR F.T.LAY,H.J.SCHIRRA,M.J.SCANLON,M.A.ANDERSON,D.J.CRAIK .
47 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
3195.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
32 68.1 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 .
10 21.3 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 .
1 2.1 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 .
9 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
1 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
8 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 .
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 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 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 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 0 207 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.7 -1.2 -7.9 12.0 A A
2 2 A E - 0 0 74 43,-0.6 2,-0.3 1,-0.2 27,-0.0 0.940 360.0-179.8 66.3 53.9 0.5 -5.5 9.6 A A
3 3 A a E -A 45 0A 52 42,-2.7 42,-1.9 1,-0.0 2,-0.6 -0.654 27.4-122.6 -85.3 137.2 1.0 -7.9 6.8 A A
4 4 A K E +A 44 0A 130 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.742 47.1 147.4 -88.1 119.8 2.7 -6.4 3.8 A A
5 5 A T E -A 43 0A 62 38,-2.7 38,-2.0 -2,-0.6 3,-0.1 -0.967 46.6-114.4-151.0 130.3 0.8 -6.6 0.5 A A
6 6 A E E -A 42 0A 89 -2,-0.3 2,-0.6 36,-0.3 36,-0.3 -0.344 42.9 -98.0 -66.3 146.4 0.7 -4.2 -2.4 A A
7 7 A S - 0 0 0 34,-3.3 34,-0.2 1,-0.2 -1,-0.1 -0.551 31.1-171.4 -70.8 114.8 -2.7 -2.5 -3.0 A A
8 8 A N S S+ 0 0 105 -2,-0.6 -1,-0.2 1,-0.2 16,-0.1 0.762 89.5 58.8 -73.4 -25.8 -4.5 -4.4 -5.7 A A
9 9 A T S S+ 0 0 63 14,-0.2 -1,-0.2 11,-0.1 -2,-0.1 0.823 81.6 96.0 -71.0 -35.1 -7.0 -1.5 -5.6 A A
10 10 A F - 0 0 21 31,-0.1 2,-0.9 1,-0.1 31,-0.1 -0.459 63.6-159.1 -63.2 109.8 -4.3 1.0 -6.5 A A
11 11 A P + 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.263 62.8 3.7 -88.3 48.7 -4.5 1.5 -10.3 A A
12 12 A G S S- 0 0 34 -2,-0.9 29,-0.4 29,-0.0 2,-0.2 -0.980 98.1 -29.8 172.3-159.7 -1.1 2.9 -10.8 A A
13 13 A I - 0 0 102 -2,-0.3 2,-1.6 27,-0.1 3,-0.3 -0.616 63.3-102.1 -88.0 146.2 2.3 3.8 -9.5 A A
14 14 A b + 0 0 0 25,-3.3 3,-0.1 -2,-0.2 -1,-0.1 -0.512 58.7 152.5 -70.3 90.0 2.8 4.9 -5.9 A A
15 15 A I + 0 0 99 -2,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.838 66.6 6.3 -88.2 -38.3 3.1 8.6 -6.5 A A
16 16 A T > - 0 0 73 -3,-0.3 4,-1.1 1,-0.1 -1,-0.3 -0.980 62.5-127.8-145.7 154.9 1.8 9.8 -3.2 A A
17 17 A K H > S+ 0 0 79 -2,-0.3 4,-3.2 1,-0.2 5,-0.1 0.905 100.4 67.5 -69.5 -44.8 0.8 8.3 0.2 A A
18 18 A P H > S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.883 105.8 40.7 -44.0 -52.4 -2.7 10.0 0.4 A A
19 19 A P H > S+ 0 0 47 0, 0.0 4,-1.3 0, 0.0 -2,-0.2 0.908 116.9 49.8 -65.2 -39.9 -4.2 8.0 -2.6 A A
20 20 A c H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 5,-0.2 0.875 104.4 61.9 -63.9 -38.4 -2.4 4.8 -1.4 A A
21 21 A R H X S+ 0 0 84 -4,-3.2 4,-1.6 1,-0.2 3,-0.5 0.950 107.3 39.8 -50.9 -62.6 -3.9 5.4 2.1 A A
22 22 A K H X S+ 0 0 134 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.768 109.1 63.0 -62.9 -27.3 -7.5 5.1 1.0 A A
23 23 A A H X S+ 0 0 9 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.902 107.1 43.2 -64.8 -39.8 -6.7 2.3 -1.3 A A
24 24 A d H <>S+ 0 0 0 -4,-1.9 5,-1.1 -3,-0.5 -2,-0.2 0.834 112.2 54.8 -72.6 -34.0 -5.6 0.2 1.7 A A
25 25 A I H <5S+ 0 0 104 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.900 107.4 48.3 -66.9 -42.8 -8.7 1.4 3.7 A A
26 26 A S H <5S+ 0 0 81 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.886 114.5 55.1 -66.0 -36.7 -11.1 0.2 1.0 A A
27 27 A E T <5S- 0 0 39 -4,-1.5 2,-1.5 -5,-0.2 -20,-0.0 -0.103 116.1 -78.6 -82.7-173.7 -9.3 -3.1 0.9 A A
28 28 A K T 5S+ 0 0 132 17,-0.1 2,-0.1 -2,-0.0 -3,-0.1 -0.521 100.2 82.1 -90.3 69.7 -8.7 -5.3 3.9 A A
29 29 A F < - 0 0 18 -2,-1.5 16,-0.3 -5,-1.1 3,-0.1 -0.409 63.0-143.3-138.9-144.8 -5.7 -3.4 5.4 A A
30 30 A T S S+ 0 0 60 14,-1.4 2,-0.2 1,-0.7 15,-0.2 0.218 75.6 27.7-161.5 -48.6 -5.1 -0.3 7.5 A A
31 31 A D E -B 44 0A 40 13,-1.4 13,-2.8 -7,-0.1 -1,-0.7 -0.746 57.5-179.0-121.7 171.5 -2.0 1.6 6.3 A A
32 32 A G E +B 43 0A 0 11,-0.3 2,-0.3 -2,-0.2 11,-0.3 -0.965 9.6 151.2-167.3 153.5 -0.2 1.9 3.0 A A
33 33 A H E -B 42 0A 60 9,-1.1 9,-3.7 -2,-0.3 2,-0.5 -0.935 54.0 -61.0-167.8-177.5 2.8 3.6 1.6 A A
34 34 A b E -B 41 0A 51 -2,-0.3 7,-0.2 7,-0.3 2,-0.2 -0.721 54.7-119.7 -87.2 126.9 5.4 3.2 -1.2 A A
35 35 A S > - 0 0 21 5,-2.6 2,-1.9 -2,-0.5 3,-0.7 -0.469 15.4-130.4 -67.3 129.7 7.4 -0.0 -0.9 A A
36 36 A K T 3 S+ 0 0 179 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.184 100.6 60.3 -76.5 47.2 11.1 0.7 -0.6 A A
37 37 A I T 3 S- 0 0 125 -2,-1.9 -1,-0.2 3,-0.1 2,-0.1 0.481 124.5 -18.7-135.3 -44.2 11.9 -1.8 -3.3 A A
38 38 A L S < S- 0 0 141 -3,-0.7 -1,-0.1 2,-0.1 -4,-0.0 -0.109 88.0 -80.3-135.1-125.8 10.1 -0.4 -6.3 A A
39 39 A R S S+ 0 0 132 -2,-0.1 -25,-3.3 -3,-0.1 2,-0.3 -0.196 75.2 123.9-151.0 52.2 7.2 2.2 -6.4 A A
40 40 A R S S- 0 0 64 -5,-0.2 -5,-2.6 -27,-0.2 2,-0.9 -0.821 70.9 -95.2-113.6 153.6 4.0 0.4 -5.6 A A
41 41 A c E - B 0 34A 0 -29,-0.4 -34,-3.3 -2,-0.3 2,-0.9 -0.554 39.3-160.3 -70.6 103.6 1.5 1.1 -2.9 A A
42 42 A L E -AB 6 33A 33 -9,-3.7 -9,-1.1 -2,-0.9 -36,-0.3 -0.779 10.8-166.7 -90.8 102.4 2.5 -1.3 -0.1 A A
43 43 A d E -AB 5 32A 0 -38,-2.0 -38,-2.7 -2,-0.9 2,-0.5 -0.604 11.0-142.4 -89.8 151.3 -0.5 -1.7 2.2 A A
44 44 A T E -AB 4 31A 7 -13,-2.8 -14,-1.4 -2,-0.2 -13,-1.4 -0.950 15.2-158.6-114.7 128.7 -0.4 -3.2 5.7 A A
45 45 A K E -A 3 0A 59 -42,-1.9 2,-3.0 -2,-0.5 -42,-2.7 -0.903 27.1-118.8-114.0 141.5 -3.3 -5.4 6.9 A A
46 46 A P 0 0 82 0, 0.0 -17,-0.1 0, 0.0 -2,-0.0 -0.317 360.0 360.0 -70.9 60.9 -4.3 -6.3 10.4 A A
47 47 A a 0 0 95 -2,-3.0 -18,-0.0 -19,-0.0 -19,-0.0 0.415 360.0 360.0 -70.1 360.0 -3.8 -10.0 9.7 A A