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 13-JUL-99 1C01 .
COMPND MOL_ID: 1; MOLECULE: ANTIMICROBIAL PEPTIDE 1; CHAIN: A .
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: MACADAMIA INTEGRIFOLIA; ORGANISM_TAXID .
AUTHOR A.M.MCMANUS,K.J.NIELSEN,J.P.MARCUS,S.J.HARRISON,J.L.GREEN, J.M.MANNERS .
76 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
4216.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
43 56.6 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 .
26 34.2 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 .
1 1.3 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 .
10 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
1 1.3 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 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 .
1 0 2 3 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 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 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 S 0 0 14 0, 0.0 2,-0.3 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 157.8 -9.4 -4.7 1.5 A A
2 2 A A E -A 35 0A 24 33,-1.6 33,-1.7 37,-0.1 2,-0.3 -0.956 360.0-149.2-132.9 150.1 -5.8 -5.6 1.0 A A
3 3 A F E -AB 34 18A 3 15,-1.4 15,-2.0 -2,-0.3 2,-0.3 -0.803 16.1-165.0-110.8 152.0 -2.6 -3.9 -0.2 A A
4 4 A T E +AB 33 17A 4 29,-2.4 29,-2.5 -2,-0.3 2,-0.3 -0.985 8.2 177.2-140.1 148.7 0.2 -5.8 -2.0 A A
5 5 A V E -AB 32 16A 0 11,-2.1 11,-1.7 -2,-0.3 2,-0.3 -0.996 17.1-155.5-154.7 155.0 3.8 -4.9 -2.8 A A
6 6 A W - 0 0 43 25,-1.4 24,-1.3 -2,-0.3 25,-0.5 -0.888 27.3-124.2-125.8 154.3 7.1 -6.2 -4.3 A A
7 7 A S S S+ 0 0 50 -2,-0.3 22,-0.3 23,-0.2 4,-0.1 0.591 75.0 36.9 -78.5 -13.4 10.6 -4.9 -3.6 A A
8 8 A G S S- 0 0 27 2,-0.6 -1,-0.2 6,-0.2 6,-0.2 -0.496 104.3 -14.9 145.5 145.6 11.7 -4.0 -7.2 A A
9 9 A P S S- 0 0 110 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.710 111.1 -52.7 -76.0 -53.8 11.7 -3.1 -10.0 A A
10 10 A G S S- 0 0 6 -2,-0.2 21,-1.1 21,-0.1 2,-0.9 0.171 101.0 -32.7-114.2-127.6 7.9 -3.0 -10.1 A A
11 11 A a S S+ 0 0 34 19,-0.3 54,-0.0 1,-0.2 53,-0.0 -0.462 107.4 101.0 -96.9 57.5 5.6 -5.9 -9.2 A A
12 12 A N S S+ 0 0 118 -2,-0.9 2,-0.2 52,-0.1 -1,-0.2 -0.282 79.7 18.2-138.8 53.3 8.0 -8.6 -10.4 A A
13 13 A N S S+ 0 0 59 1,-0.4 -2,-0.0 -3,-0.1 17,-0.0 -0.595 96.7 42.5-173.5-122.6 9.8 -10.1 -7.3 A A
14 14 A R - 0 0 150 -6,-0.2 2,-0.5 -2,-0.2 -1,-0.4 -0.066 61.5-143.6 -48.7 145.9 9.2 -10.2 -3.5 A A
15 15 A A + 0 0 67 -9,-0.1 2,-0.3 -3,-0.1 -9,-0.2 -0.963 34.9 146.5-120.9 114.9 5.6 -10.9 -2.3 A A
16 16 A E E -B 5 0A 63 -11,-1.7 -11,-2.1 -2,-0.5 2,-0.3 -0.974 22.6-164.0-149.6 132.6 4.4 -9.1 0.8 A A
17 17 A R E -B 4 0A 145 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.768 15.2-158.5-119.2 163.6 0.9 -7.8 1.7 A A
18 18 A Y E +B 3 0A 37 -15,-2.0 -15,-1.4 -2,-0.3 6,-0.1 -0.838 35.3 139.0-141.7 95.7 -0.8 -5.4 4.2 A A
19 19 A S + 0 0 62 -2,-0.3 -1,-0.1 -17,-0.2 3,-0.1 0.622 34.7 115.1-112.9 -22.3 -4.5 -6.0 4.7 A A
20 20 A K S S- 0 0 189 1,-0.1 54,-0.2 53,-0.0 4,-0.0 -0.098 76.1 -95.6 -51.3 147.1 -4.9 -5.6 8.5 A A
21 21 A b S S+ 0 0 71 52,-0.1 54,-0.2 2,-0.0 2,-0.2 -0.150 96.4 23.3 -60.5 160.3 -7.0 -2.7 9.7 A A
22 22 A G E S-D 74 0B 25 52,-1.5 52,-2.4 -3,-0.1 2,-0.3 -0.547 108.3 -53.9 78.2-148.0 -5.2 0.6 10.6 A A
23 23 A c E -D 73 0B 39 50,-0.3 2,-0.3 -2,-0.2 50,-0.2 -0.792 38.1-160.7-128.9 172.3 -1.8 1.0 8.9 A A
24 24 A S E -D 72 0B 32 48,-1.2 48,-1.9 -2,-0.3 2,-0.7 -0.982 27.8-115.8-151.6 136.9 1.6 -0.6 8.3 A A
25 25 A A E -D 71 0B 44 -2,-0.3 46,-0.3 46,-0.2 2,-0.2 -0.651 32.1-148.1 -79.9 112.6 5.0 0.7 7.2 A A
26 26 A I + 0 0 0 44,-2.1 21,-0.0 -2,-0.7 -8,-0.0 -0.516 23.8 175.6 -80.0 146.5 6.0 -0.8 3.8 A A
27 27 A H + 0 0 130 -2,-0.2 2,-1.0 -22,-0.0 -1,-0.1 0.429 48.1 110.4-125.2 -14.5 9.7 -1.5 3.0 A A
28 28 A Q - 0 0 18 1,-0.1 2,-1.3 -12,-0.0 -22,-0.2 -0.550 50.7-166.8 -70.7 100.6 9.1 -3.2 -0.4 A A
29 29 A K + 0 0 125 -2,-1.0 -22,-0.2 -22,-0.3 -1,-0.1 -0.393 62.2 67.8 -87.0 56.6 10.5 -0.5 -2.8 A A
30 30 A G S S- 0 0 0 -2,-1.3 -19,-0.3 -24,-1.3 -23,-0.2 0.307 94.1 -2.2-133.1 -97.2 9.1 -2.1 -6.0 A A
31 31 A G - 0 0 0 -21,-1.1 -25,-1.4 -25,-0.5 -1,-0.4 -0.666 51.5-152.6-106.1 162.3 5.5 -2.4 -7.1 A A
32 32 A Y E +AC 5 63A 11 31,-1.1 31,-1.4 -2,-0.2 2,-0.2 -0.877 17.0 172.3-144.6 108.7 2.3 -1.4 -5.3 A A
33 33 A D E -A 4 0A 28 -29,-2.5 -29,-2.4 -2,-0.4 2,-0.3 -0.678 8.0-167.7-108.7 162.3 -1.1 -3.1 -5.9 A A
34 34 A F E -A 3 0A 0 -31,-0.2 2,-0.3 -2,-0.2 -31,-0.2 -0.972 11.2-159.1-148.7 157.8 -4.4 -2.7 -4.0 A A
35 35 A S E -A 2 0A 53 -33,-1.7 -33,-1.6 -2,-0.3 2,-0.1 -0.849 13.8-156.5-146.7 103.1 -7.8 -4.5 -3.9 A A
36 36 A Y + 0 0 82 -2,-0.3 24,-0.3 -35,-0.2 4,-0.1 -0.448 23.5 159.1 -79.0 151.8 -10.9 -2.6 -2.6 A A
37 37 A T S S- 0 0 87 2,-0.6 2,-0.7 -2,-0.1 3,-0.1 -0.337 83.7 -49.2-174.8 73.4 -13.9 -4.5 -1.2 A A
38 38 A G S S+ 0 0 44 20,-0.2 2,-0.5 1,-0.1 -2,-0.1 -0.118 119.4 96.8 80.9 -37.2 -15.9 -2.1 1.0 A A
39 39 A Q - 0 0 62 -2,-0.7 -2,-0.6 35,-0.0 -1,-0.1 -0.735 64.6-149.8 -89.9 125.5 -12.8 -1.0 2.8 A A
40 40 A T - 0 0 24 -2,-0.5 35,-1.6 -4,-0.1 2,-0.3 -0.415 13.1-163.2 -85.6 164.1 -11.1 2.2 1.6 A A
41 41 A A E -EF 57 74B 0 16,-1.2 16,-2.2 33,-0.2 2,-0.3 -0.996 10.5-174.8-152.4 148.4 -7.3 2.9 1.8 A A
42 42 A A E -EF 56 73B 0 31,-1.7 31,-2.6 -2,-0.3 14,-0.2 -0.991 23.5-118.7-144.5 148.5 -4.9 5.8 1.6 A A
43 43 A L E - F 0 72B 0 12,-1.8 11,-1.2 -2,-0.3 2,-0.4 -0.463 15.4-154.0 -87.1 159.7 -1.1 6.1 1.7 A A
44 44 A Y E -EF 53 71B 40 27,-2.2 27,-2.5 9,-0.2 26,-1.9 -0.965 13.4-147.5-137.9 113.8 1.0 8.0 4.2 A A
45 45 A N S S+ 0 0 92 7,-0.5 2,-0.4 -2,-0.4 8,-0.1 0.626 88.6 63.8 -55.5 -14.6 4.4 9.4 3.2 A A
46 46 A Q S >> S- 0 0 52 6,-0.2 3,-0.6 25,-0.1 4,-0.6 -0.958 98.7 -99.9-119.5 132.1 5.4 8.7 6.8 A A
47 47 A A G >4 S+ 0 0 44 -2,-0.4 3,-1.5 1,-0.2 24,-0.1 0.057 104.5 18.7 -43.9 150.6 5.6 5.2 8.4 A A
48 48 A G G 34 S- 0 0 33 1,-0.3 -1,-0.2 22,-0.1 -25,-0.1 0.800 122.9 -82.7 51.9 34.0 2.7 4.0 10.6 A A
49 49 A c G <4 S+ 0 0 35 -3,-0.6 2,-0.4 -5,-0.2 -1,-0.3 0.822 78.3 159.4 39.0 44.7 0.5 6.7 9.0 A A
50 50 A S << + 0 0 98 -3,-1.5 2,-0.2 -4,-0.6 -1,-0.2 -0.113 61.1 26.5 -86.1 37.7 2.0 9.2 11.5 A A
51 51 A G S S- 0 0 39 -2,-0.4 2,-0.3 -5,-0.2 -7,-0.0 -0.681 104.9 -44.5-160.9-145.6 1.0 12.1 9.3 A A
52 52 A V - 0 0 116 -2,-0.2 -7,-0.5 1,-0.1 -6,-0.2 -0.697 58.2-104.0-103.9 157.2 -1.6 13.1 6.6 A A
53 53 A A E +E 44 0B 34 -2,-0.3 -9,-0.2 -9,-0.2 -1,-0.1 -0.114 30.7 178.3 -72.6 175.7 -2.7 10.9 3.7 A A
54 54 A H E + 0 0B 100 -11,-1.2 2,-0.5 1,-0.1 -1,-0.1 0.443 65.8 30.1-142.8 -59.0 -1.6 11.4 0.0 A A
55 55 A T E - 0 0B 48 -12,-0.1 -12,-1.8 2,-0.0 2,-0.2 -0.941 67.3-170.1-120.1 111.4 -3.0 8.8 -2.4 A A
56 56 A R E -E 42 0B 133 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.528 4.0-155.6 -95.4 163.6 -6.4 7.2 -1.7 A A
57 57 A F E +E 41 0B 51 -16,-2.2 -16,-1.2 -2,-0.2 3,-0.1 -0.982 24.6 172.7-140.7 149.7 -8.1 4.3 -3.4 A A
58 58 A G S S+ 0 0 40 1,-0.3 2,-0.3 -2,-0.3 -20,-0.2 0.322 77.0 35.8-133.4 -5.2 -11.7 3.1 -3.9 A A
59 59 A S S S- 0 0 86 -22,-0.1 -1,-0.3 -23,-0.0 -22,-0.1 -0.983 105.1 -70.1-149.9 150.8 -11.1 0.2 -6.4 A A
60 60 A S - 0 0 80 -2,-0.3 2,-0.6 -24,-0.3 -25,-0.3 -0.180 48.5-168.7 -45.7 119.3 -8.3 -2.4 -6.8 A A
61 61 A A - 0 0 27 2,-0.0 2,-1.7 -4,-0.0 -1,-0.1 -0.839 7.6-172.1-120.5 92.0 -5.2 -0.5 -8.1 A A
62 62 A R + 0 0 213 -2,-0.6 -29,-0.3 -29,-0.3 2,-0.1 -0.481 22.0 165.0 -83.0 68.3 -2.5 -2.9 -9.3 A A
63 63 A A B -C 32 0A 40 -2,-1.7 -31,-1.1 -31,-1.4 -2,-0.0 -0.463 27.2-171.7 -84.0 159.1 0.3 -0.4 -9.9 A A
64 64 A a + 0 0 48 -33,-0.3 -53,-0.1 -2,-0.1 -1,-0.1 -0.031 45.1 123.2-139.0 27.1 4.0 -1.5 -10.4 A A
65 65 A N S S- 0 0 107 -33,-0.2 3,-0.1 1,-0.2 -35,-0.0 -0.376 72.6 -80.4 -82.7 165.0 5.6 2.0 -10.3 A A
66 66 A P - 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -36,-0.1 -0.071 64.1 -81.5 -53.0 167.4 8.3 3.1 -7.8 A A
67 67 A F + 0 0 45 1,-0.1 3,-0.1 -3,-0.1 -38,-0.1 -0.057 39.3 176.6 -69.3 177.1 7.2 4.1 -4.3 A A
68 68 A G + 0 0 41 1,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.251 68.8 27.5-160.0 -6.2 5.8 7.5 -3.3 A A
69 69 A W - 0 0 57 1,-0.1 -24,-0.3 -25,-0.1 -1,-0.1 -0.626 66.7-129.1-142.5-160.5 4.9 7.0 0.3 A A
70 70 A K S S+ 0 0 59 -26,-1.9 -44,-2.1 1,-0.4 2,-0.3 0.624 79.5 25.0-128.7 -45.8 6.0 4.9 3.3 A A
71 71 A S E -DF 25 44B 0 -27,-2.5 -27,-2.2 -46,-0.3 2,-0.4 -0.801 61.9-136.0-124.8 166.0 2.9 3.2 4.9 A A
72 72 A I E -DF 24 43B 1 -48,-1.9 -48,-1.2 -2,-0.3 2,-0.4 -0.989 13.0-160.9-126.5 126.2 -0.6 2.1 3.9 A A
73 73 A F E -DF 23 42B 57 -31,-2.6 -31,-1.7 -2,-0.4 2,-0.4 -0.841 7.9-177.2-106.0 143.0 -3.8 2.7 5.9 A A
74 74 A I E -DF 22 41B 3 -52,-2.4 -52,-1.5 -2,-0.4 -33,-0.2 -0.952 17.4-140.9-143.5 117.2 -6.9 0.6 5.3 A A
75 75 A Q 0 0 75 -35,-1.6 -2,-0.0 -2,-0.4 0, 0.0 -0.306 360.0 360.0 -74.8 162.3 -10.1 1.3 7.3 A A
76 76 A b 0 0 137 -37,-0.1 -1,-0.1 -2,-0.0 -55,-0.0 0.499 360.0 360.0-147.0 360.0 -12.4 -1.5 8.5 A A