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 ANTIMICROBIAL PROTEIN 06-JAN-10 2KSK .
COMPND MOL_ID: 1; MOLECULE: SUGARCANE DEFENSIN 5; CHAIN: A; ENGINEERED: YES .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: SACCHARUM OFFICINARUM; ORGANISM_TAXID: .
AUTHOR V.S.DE PAULA,F.C.L.ALMEIDA,A.VALENTE .
71 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
6578.6 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
25 35.2 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 .
11 15.5 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 .
3 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
9 12.7 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+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 1 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 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 H 0 0 155 0, 0.0 63,-0.1 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 42.7 2.1 -0.0 -1.2 A A
2 2 A T - 0 0 104 1,-0.1 59,-0.1 2,-0.0 62,-0.0 0.978 360.0-176.4 51.7 67.8 5.2 1.6 0.2 A A
3 3 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 58,-0.0 0.571 68.5 -4.0 -69.8 -8.5 3.7 5.1 0.7 A A
4 4 A T - 0 0 71 1,-0.0 -2,-0.0 56,-0.0 4,-0.0 -0.956 69.9-106.7-176.2 159.5 7.1 6.3 1.9 A A
5 5 A P S S+ 0 0 121 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.662 105.3 18.4 -69.8 -16.2 10.7 5.2 2.7 A A
6 6 A T S S- 0 0 84 54,-0.0 2,-0.4 -3,-0.0 54,-0.1 -0.986 94.5 -84.2-152.7 159.2 9.9 5.6 6.4 A A
7 7 A P - 0 0 30 0, 0.0 50,-0.5 0, 0.0 2,-0.4 -0.522 45.0-169.9 -69.7 118.9 6.9 5.9 8.8 A A
8 8 A I - 0 0 93 -2,-0.4 2,-0.3 48,-0.2 50,-0.1 -0.942 4.2-175.5-116.2 131.8 5.6 9.5 9.0 A A
9 9 A a E -A 55 0A 43 46,-2.9 46,-1.8 -2,-0.4 2,-0.4 -0.780 11.7-144.3-120.6 165.2 3.1 10.8 11.5 A A
10 10 A K E +A 54 0A 159 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.978 16.6 174.7-132.7 144.8 1.3 14.1 12.0 A A
11 11 A S E -A 53 0A 41 42,-2.4 42,-2.7 -2,-0.4 2,-0.3 -0.997 27.3-120.9-149.6 146.4 0.2 16.0 15.2 A A
12 12 A R E -A 52 0A 159 -2,-0.3 40,-0.2 40,-0.2 2,-0.1 -0.662 26.4-149.7 -89.7 142.6 -1.4 19.3 16.0 A A
13 13 A S - 0 0 26 38,-0.8 -1,-0.1 -2,-0.3 38,-0.1 -0.182 12.5-135.6 -96.1-168.7 0.4 21.8 18.3 A A
14 14 A H S S+ 0 0 150 -2,-0.1 -2,-0.0 2,-0.0 4,-0.0 -0.162 90.7 37.1-145.6 43.3 -0.9 24.4 20.7 A A
15 15 A E S S+ 0 0 145 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.295 115.4 38.1-155.2 -54.8 1.2 27.5 20.1 A A
16 16 A Y S S+ 0 0 99 1,-0.1 2,-0.1 2,-0.1 14,-0.1 -0.309 92.8 93.4-106.2 47.7 2.0 28.0 16.4 A A
17 17 A K + 0 0 74 33,-0.1 -1,-0.1 -2,-0.1 3,-0.0 -0.541 66.4 63.2-138.9 70.4 -1.3 26.9 15.0 A A
18 18 A G S S+ 0 0 38 32,-0.1 2,-0.3 -2,-0.1 31,-0.3 0.386 101.6 30.0-155.6 -38.8 -3.6 29.8 14.5 A A
19 19 A R S S+ 0 0 239 29,-0.1 2,-0.3 25,-0.0 31,-0.1 -0.804 79.9 111.2-139.4 95.2 -2.2 32.2 11.9 A A
20 20 A b + 0 0 9 -2,-0.3 30,-0.2 23,-0.1 23,-0.1 -0.923 24.2 170.1-165.3 137.3 -0.1 30.8 9.1 A A
21 21 A I + 0 0 103 -2,-0.3 2,-0.6 28,-0.1 23,-0.1 0.340 61.9 90.3-128.3 -1.0 -0.3 30.3 5.4 A A
22 22 A Q > - 0 0 105 1,-0.2 4,-2.5 21,-0.1 5,-0.2 -0.890 55.7-162.6-105.5 114.3 3.2 29.2 4.6 A A
23 23 A D H > S+ 0 0 76 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.887 92.6 56.8 -58.8 -40.7 3.9 25.5 4.8 A A
24 24 A M H > S+ 0 0 169 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 110.1 43.4 -57.0 -48.7 7.7 26.2 5.0 A A
25 25 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.940 110.6 54.1 -63.1 -49.1 7.2 28.4 8.1 A A
26 26 A c H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.799 107.6 54.5 -56.0 -29.1 4.8 26.0 9.7 A A
27 27 A N H X S+ 0 0 52 -4,-1.7 4,-2.1 -5,-0.2 3,-0.3 0.956 110.3 41.7 -70.4 -52.5 7.5 23.3 9.2 A A
28 28 A A H X S+ 0 0 53 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.829 108.7 62.9 -64.3 -32.3 10.3 25.1 11.0 A A
29 29 A A H X S+ 0 0 14 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.905 108.8 40.0 -59.4 -43.7 7.8 26.2 13.7 A A
30 30 A d H >X S+ 0 0 4 -4,-1.3 4,-2.8 -3,-0.3 3,-0.8 0.980 115.7 47.5 -69.9 -59.1 7.2 22.6 14.7 A A
31 31 A V H 3< S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 120.0 43.0 -53.7 -26.3 10.8 21.3 14.4 A A
32 32 A K H 3< S+ 0 0 183 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.673 111.6 54.3 -92.6 -21.4 11.8 24.4 16.4 A A
33 33 A E H << S+ 0 0 91 -4,-1.1 -2,-0.2 -3,-0.8 2,-0.2 0.901 122.2 9.0 -78.3 -44.0 8.9 24.1 18.8 A A
34 34 A S < - 0 0 57 -4,-2.8 0, 0.0 3,-0.1 0, 0.0 -0.527 62.7-130.2-123.3-169.6 9.6 20.6 19.9 A A
35 35 A E S S+ 0 0 196 -2,-0.2 -4,-0.1 -3,-0.0 -5,-0.0 0.335 99.5 59.4-125.9 -0.3 12.4 18.0 19.5 A A
36 36 A S S S+ 0 0 80 -6,-0.1 2,-0.4 19,-0.0 -5,-0.1 0.750 88.9 78.4 -98.8 -32.4 10.2 15.0 18.4 A A
37 37 A Y - 0 0 50 -7,-0.2 18,-0.3 18,-0.2 -3,-0.1 -0.654 51.3-177.2 -83.4 131.2 8.7 16.5 15.3 A A
38 38 A T - 0 0 94 16,-1.4 2,-0.3 -2,-0.4 17,-0.2 -0.057 66.8 -1.6-116.1 30.2 10.9 16.6 12.2 A A
39 39 A G E +B 54 0A 2 15,-1.1 15,-2.6 -12,-0.1 2,-0.2 -0.984 55.9 179.2 173.6-170.2 8.5 18.4 9.9 A A
40 40 A G E -B 53 0A 0 13,-0.4 13,-0.3 -2,-0.3 2,-0.3 -0.619 13.9-140.7 152.4 147.9 5.1 20.0 9.5 A A
41 41 A F E -B 52 0A 126 11,-1.5 11,-2.9 -2,-0.2 2,-0.4 -0.855 17.1-123.2-128.5 163.9 2.8 21.8 7.0 A A
42 42 A b E +B 51 0A 7 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.866 25.2 179.7-110.7 142.6 0.3 24.7 7.2 A A
43 43 A N E -B 50 0A 115 7,-2.2 7,-2.7 -2,-0.4 2,-0.7 -0.998 23.5-134.7-143.7 137.2 -3.3 24.6 6.1 A A
44 44 A G + 0 0 48 -2,-0.3 5,-0.2 5,-0.2 -23,-0.1 -0.817 41.7 147.4 -96.5 112.1 -6.1 27.1 6.1 A A
45 45 A R - 0 0 143 -2,-0.7 -2,-0.1 3,-0.2 0, 0.0 -0.961 39.4 -44.5-141.3 157.7 -9.4 25.8 7.5 A A
46 46 A P S S+ 0 0 98 0, 0.0 2,-0.2 0, 0.0 4,-0.0 -0.346 113.4 15.2 -69.8 147.9 -12.4 27.1 9.4 A A
47 47 A P S S- 0 0 110 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.712 136.9 -20.5 -69.7 -49.9 -12.9 28.7 11.7 A A
48 48 A F S S- 0 0 154 -2,-0.2 -3,-0.2 1,-0.1 -29,-0.1 -0.794 81.4 -80.8-117.2 160.2 -9.3 29.9 11.5 A A
49 49 A K - 0 0 91 -2,-0.3 2,-0.3 -31,-0.3 -5,-0.2 -0.070 46.8-157.5 -53.2 157.1 -6.1 28.5 9.8 A A
50 50 A Q E - B 0 43A 30 -7,-2.7 -7,-2.2 -30,-0.2 2,-0.4 -0.979 9.9-134.1-141.5 152.9 -4.2 25.8 11.6 A A
51 51 A c E - B 0 42A 1 -2,-0.3 -38,-0.8 -9,-0.2 2,-0.4 -0.892 15.7-160.9-111.2 138.2 -0.7 24.4 11.7 A A
52 52 A F E -AB 12 41A 73 -11,-2.9 -11,-1.5 -2,-0.4 2,-0.2 -0.951 4.5-153.8-120.6 137.0 0.2 20.7 11.6 A A
53 53 A d E -AB 11 40A 2 -42,-2.7 -42,-2.4 -2,-0.4 -13,-0.4 -0.689 5.4-147.1-106.0 160.1 3.5 19.1 12.6 A A
54 54 A T E +AB 10 39A 30 -15,-2.6 -16,-1.4 -44,-0.2 -15,-1.1 -0.972 14.7 179.5-129.8 143.4 5.1 15.9 11.4 A A
55 55 A K E -A 9 0A 74 -46,-1.8 -46,-2.9 -2,-0.4 2,-1.8 -0.960 43.3 -90.6-140.4 157.5 7.4 13.4 13.2 A A
56 56 A P - 0 0 80 0, 0.0 -48,-0.2 0, 0.0 -46,-0.0 -0.476 53.3-168.7 -69.7 85.2 9.1 10.1 12.5 A A
57 57 A a - 0 0 42 -2,-1.8 2,-0.2 -50,-0.5 -48,-0.1 0.213 16.7-106.5 -60.5-169.4 6.4 7.6 13.5 A A
58 58 A K S S+ 0 0 179 -52,-0.1 -1,-0.1 -50,-0.1 -50,-0.0 -0.442 71.7 42.3-113.0-172.1 6.9 3.9 13.9 A A
59 59 A R S S- 0 0 199 -2,-0.2 0, 0.0 -52,-0.1 0, 0.0 -0.000 75.3-107.8 63.5-175.9 6.0 0.8 12.0 A A
60 60 A E S S- 0 0 176 -54,-0.1 -54,-0.0 -53,-0.1 -3,-0.0 0.725 78.1 -37.5-112.3 -74.6 6.2 0.5 8.2 A A
61 61 A R - 0 0 152 -54,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.610 55.1-161.7-126.3 -38.7 2.8 0.5 6.4 A A
62 62 A A + 0 0 70 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.872 69.6 53.5 51.6 40.5 0.5 -1.5 8.7 A A
63 63 A A S S- 0 0 68 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.975 72.7-122.1-178.3 179.8 -1.9 -1.9 5.7 A A
64 64 A A - 0 0 84 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.596 10.0-171.7-128.8-169.8 -2.2 -3.0 2.1 A A
65 65 A T - 0 0 78 -2,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.356 21.5-169.5-153.1 -47.0 -3.3 -1.6 -1.3 A A
66 66 A L - 0 0 151 3,-0.0 2,-0.2 2,-0.0 -2,-0.0 0.171 35.8 -70.1 63.1 170.7 -3.5 -4.4 -3.9 A A
67 67 A R S S+ 0 0 178 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.621 106.9 25.4 -97.1 157.2 -4.0 -3.8 -7.6 A A
68 68 A W - 0 0 215 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.989 62.0-177.5 54.9 70.8 -7.1 -2.5 -9.4 A A
69 69 A P - 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.735 54.2 -83.8 -69.7 -23.2 -8.7 -0.6 -6.4 A A
70 70 A G 0 0 56 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.911 360.0 360.0 160.0-129.1 -11.7 0.3 -8.5 A A
71 71 A L 0 0 235 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.863 360.0 360.0-112.3 360.0 -12.5 3.0 -11.1 A A