Secondary structure calculation program - copyright by David Keith Smith, 1989
1f56A.pdb
1F56 PLANT PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 91
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 ALA A e 0 0 999.9 160.5 179.8 999.9 999.9 999.9 0 0.0 24 -2.9 0 0.0 0 0.0 5 24
2 A 2 VAL V E E Aa - 24 0 -117.4 128.4 -178.7 -176.4 999.9 164.3 0 0.0 0 0.0 0 0.0 0 0.0 7 27
3 A 3 TYR Y E E Aa - 25 0 -127.7 133.9 178.0 -135.9 20.4 169.9 24 -2.8 26 -3.1 0 0.0 0 0.0 9 32
4 A 4 ASN N E E Aa - 26 0 -85.7 137.2 177.7 -155.8 19.2 134.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
5 A 5 ILE I E E Aa - 27 0 -114.4 133.3 178.9 -134.5 15.2 161.3 26 -3.5 28 -2.5 0 0.0 7 -1.2 12 48
6 A 6 GLY G E E AaA - 28 12 -85.9 99.7 -177.0 -156.7 25.4 138.1 12 -2.7 12 -1.8 0 0.0 8 -1.2 10 39
7 A 7 TRP W e + 0 0 -84.8 96.9 -179.9 112.0 42.9 131.4 28 -1.8 0 0.0 5 -1.2 0 0.0 11 49
8 A 8 SER S S S S- 0 0 -150.5 177.9 179.7 -78.6 86.6 153.3 6 -1.2 0 0.0 0 0.0 0 0.0 9 42
9 A 9 PHE F S S S+ 0 0 -53.3 -34.8 177.1 46.6 133.5 28.9 0 0.0 11 -0.9 0 0.0 0 0.0 8 34
10 A 10 ASN N S S S- 0 0 -108.3 90.8 -178.5 -151.2 96.4 145.9 0 0.0 0 0.0 0 0.0 0 0.0 7 27
11 A 11 VAL V - 0 0 -64.6 134.6 178.5 -167.7 14.8 113.0 9 -0.9 0 0.0 0 0.0 0 0.0 12 38
12 A 12 ASN N B B A + 6 0 -127.6 153.3 178.6 42.2 54.3 157.8 6 -1.8 6 -2.7 0 0.0 0 0.0 9 28
13 A 13 GLY G S S S+ 0 0 101.6 -2.9 -178.8 69.6 99.2 69.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
14 A 14 ALA A t > T + 0 0 -115.9 -28.1 -178.6 105.2 65.3 46.6 0 0.0 17 -1.4 0 0.0 0 0.0 9 39
15 A 15 ARG R T T 3 TS- 0 0 -63.7 125.9 178.1 -7.9 98.0 111.1 0 0.0 0 0.0 0 0.0 0 0.0 5 27
16 A 16 GLY G T T 3 TS+ 0 0 66.6 14.0 -179.8 121.9 104.5 51.4 0 0.0 0 0.0 0 0.0 0 0.0 4 16
17 A 17 LYS K t < T - 0 0 -112.0 149.0 -177.7 -122.1 60.0 146.1 14 -1.4 0 0.0 0 0.0 0 0.0 6 25
18 A 18 SER S - 0 0 -93.7 135.1 -179.9 -169.5 26.2 137.1 0 0.0 0 0.0 0 0.0 0 0.0 6 30
19 A 19 PHE F B B b - 90 0 -121.9 158.0 -178.8 -153.6 5.5 147.1 89 -0.6 91 -1.9 0 0.0 0 0.0 9 33
20 A 20 ARG R t > T - 0 0 -130.4 151.5 178.8 -90.5 33.9 159.8 0 0.0 23 -2.2 0 0.0 0 0.0 10 26
21 A 21 ALA A T T 3 TS+ 0 0 -55.3 140.7 179.9 32.2 114.7 106.7 0 0.0 0 0.0 0 0.0 0 0.0 10 25
22 A 22 GLY G T T 3 TS+ 0 0 95.9 -22.6 178.7 134.3 85.1 81.2 65 -2.3 0 0.0 0 0.0 0 0.0 9 24
23 A 23 ASP D e < T - 0 0 -61.5 150.7 178.6 -132.7 51.7 106.2 20 -2.2 65 -2.8 0 0.0 25 -0.5 11 31
24 A 24 VAL V E E AaB - 2 64 -108.1 125.2 176.9 -157.8 14.7 156.0 1 -2.9 3 -2.8 0 0.0 0 0.0 11 35
25 A 25 LEU L E E AaB - 3 63 -100.9 136.4 178.1 -155.4 3.4 150.9 63 -3.1 63 -2.6 23 -0.5 27 -0.7 13 49
26 A 26 VAL V E E AaB - 4 62 -115.1 106.6 179.8 -152.9 6.8 156.4 3 -3.1 5 -3.5 0 0.0 28 -0.6 12 42
27 A 27 PHE F E E AaB - 5 61 -80.4 118.0 -177.9 -164.9 15.5 133.2 61 -2.3 61 -1.4 25 -0.7 0 0.0 13 49
28 A 28 LYS K E E AaB + 6 60 -113.1 129.9 -179.2 113.6 29.3 156.0 5 -2.5 7 -1.8 26 -0.6 0 0.0 11 38
29 A 29 TYR Y e - 0 0 -172.5 177.3 -179.2 -63.7 69.6 160.8 59 -2.0 31 -0.6 0 0.0 0 0.0 11 34
30 A 30 ILE I t > > T - 0 0 -85.5 121.2 179.9 -111.8 58.2 135.0 0 0.0 33 -2.3 0 0.0 34 -0.5 7 25
31 A 31 LYS K B B 4 c 3 TS+ 34 0 -50.0 127.2 179.1 22.7 101.6 103.2 29 -0.6 0 0.0 0 0.0 0 0.0 9 24
32 A 32 GLY G T T 4 3 TS+ 0 0 102.4 -23.1 -178.7 81.1 104.7 84.8 34 -0.7 0 0.0 0 0.0 0 0.0 8 24
33 A 33 GLN Q T T 4 < TS- 0 0 -90.0 -18.3 179.5 -0.2 105.2 48.5 30 -2.3 0 0.0 0 0.0 0 0.0 6 32
34 A 34 HIS H B B < c T - 31 0 -154.0 177.1 174.5 -149.8 60.3 155.8 30 -0.5 32 -0.7 0 0.0 0 0.0 13 40
35 A 35 ASN N - 0 0 -147.9 168.4 178.6 -128.5 16.1 156.4 0 0.0 0 0.0 0 0.0 0 0.0 14 48
36 A 36 VAL V E E BC - 56 0 -126.2 118.0 -179.9 -173.8 22.4 169.9 56 -2.5 56 -2.1 0 0.0 0 0.0 13 58
37 A 37 VAL V E E BCD - 55 73 -116.0 126.2 178.5 -142.1 18.7 164.8 73 -2.7 73 -1.9 0 0.0 39 -0.7 13 56
38 A 38 ALA A E E BCD + 54 72 -86.3 116.6 -176.6 169.3 36.9 142.2 54 -2.1 54 -0.7 0 0.0 0 0.0 12 50
39 A 39 VAL V E E B D - 0 71 -122.0 -179.3 178.4 -104.8 31.7 126.7 71 -1.6 71 -0.7 37 -0.7 0 0.0 14 40
40 A 40 ASN N h > T - 0 0 -99.3 178.8 -179.2 -89.8 45.1 115.5 0 0.0 44 -2.3 0 0.0 0 0.0 10 35
41 A 41 GLY G H H > TS+ 0 0 -56.4 -48.2 179.9 45.4 125.5 25.4 0 0.0 45 -2.4 0 0.0 0 0.0 7 27
42 A 42 ARG R H H > TS+ 0 0 -65.5 -37.3 179.1 51.4 113.0 26.3 0 0.0 46 -1.5 0 0.0 0 0.0 6 24
43 A 43 GLY G H H 4 >TS+ 0 0 -65.2 -37.2 178.7 50.0 110.4 27.6 0 0.0 48 -2.4 0 0.0 0 0.0 11 32
44 A 44 TYR Y H H < >5TS+ 0 0 -65.5 -43.5 -178.5 52.4 108.5 24.3 40 -2.3 47 -1.0 0 0.0 0 0.0 14 36
45 A 45 ALA A H H < 35TS+ 0 0 -65.2 -29.0 -178.0 34.1 119.1 37.8 41 -2.4 0 0.0 0 0.0 0 0.0 7 30
46 A 46 SER S T h < 35TS- 0 0 -113.1 15.8 179.9 -118.3 106.6 79.2 42 -1.5 0 0.0 0 0.0 0 0.0 6 31
47 A 47 CYS C T T <5TS+ 0 0 49.8 44.0 -179.4 120.8 75.7 29.5 44 -1.0 0 0.0 0 0.0 0 0.0 11 35
48 A 48 SER S t T - 0 0 -74.1 162.0 -179.0 -72.4 45.4 108.5 0 0.0 53 -2.1 0 0.0 0 0.0 8 24
51 A 51 ARG R T T 3 TS+ 0 0 -55.9 134.5 179.3 14.0 120.4 104.5 0 0.0 0 0.0 0 0.0 0 0.0 4 18
52 A 52 GLY G T T 3 TS+ 0 0 81.8 -3.6 179.2 160.0 85.7 65.8 0 0.0 0 0.0 0 0.0 0 0.0 4 15
53 A 53 ALA A t < T - 0 0 -50.1 147.0 -178.9 -109.4 44.1 97.7 50 -2.1 0 0.0 0 0.0 0 0.0 9 27
54 A 54 ARG R E E BC - 38 0 -90.0 132.6 -179.7 -156.5 30.0 134.1 38 -0.7 38 -2.1 0 0.0 0 0.0 7 29
55 A 55 THR T E E BC - 37 0 -108.0 142.4 178.8 -167.5 6.7 146.2 0 0.0 0 0.0 0 0.0 0 0.0 8 37
56 A 56 TYR Y E E BC + 36 0 -127.6 136.0 -174.4 164.5 14.2 172.1 36 -2.1 36 -2.5 0 0.0 0 0.0 8 36
57 A 57 SER S + 0 0 -142.2 20.0 -176.7 104.8 38.6 76.1 0 0.0 0 0.0 0 0.0 0 0.0 11 31
58 A 58 SER S S S S- 0 0 -84.0 -11.9 -178.6 -119.6 81.3 53.0 0 0.0 0 0.0 0 0.0 0 0.0 8 27
59 A 59 GLY G S e S+ 0 0 90.0 -10.1 177.8 53.4 108.5 69.0 0 0.0 29 -2.0 0 0.0 0 0.0 12 28
60 A 60 GLN Q E E AB S+ 28 0 -154.5 62.1 -177.9 174.1 76.3 112.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
61 A 61 ASP D E E AB - 27 0 -81.9 126.0 179.3 -149.4 20.8 129.1 27 -1.4 27 -2.3 0 0.0 63 -0.7 12 37
62 A 62 ARG R E E AB + 26 0 -98.0 115.1 -179.5 174.4 22.6 149.5 0 0.0 0 0.0 0 0.0 0 0.0 8 34
63 A 63 ILE I E E AB - 25 0 -127.7 127.2 178.7 -141.0 22.7 168.8 25 -2.6 25 -3.1 61 -0.7 0 0.0 7 45
64 A 64 LYS K E E AB - 24 0 -85.3 138.0 -179.9 -126.4 21.7 130.9 0 0.0 0 0.0 0 0.0 0 0.0 8 38
65 A 65 LEU L e - 0 0 -83.7 141.6 177.4 -145.5 16.5 127.5 23 -2.8 22 -2.3 0 0.0 0 0.0 12 39
66 A 66 THR T - 0 0 -101.8 157.7 -179.7 -79.7 39.9 137.2 0 0.0 0 0.0 0 0.0 0 0.0 9 28
67 A 67 ARG R S S S+ 0 0 -57.2 133.4 -179.4 10.2 101.3 107.2 0 0.0 0 0.0 0 0.0 0 0.0 10 23
68 A 68 GLY G E E B E S+ 0 90 100.2 -152.6 -178.7 4.1 115.2 135.4 90 -3.5 90 -3.1 0 0.0 0 0.0 8 24
69 A 69 GLN Q E E B E - 0 89 -78.5 138.4 179.4 -174.9 53.4 119.3 0 0.0 0 0.0 0 0.0 0 0.0 9 33
70 A 70 ASN N E E B E - 0 88 -132.4 119.2 -177.8 -165.2 8.9 170.6 88 -2.0 88 -2.8 0 0.0 0 0.0 13 45
71 A 71 TYR Y E E BDE + 39 87 -112.7 139.0 179.1 177.0 8.9 151.6 39 -0.7 39 -1.6 0 0.0 0 0.0 13 51
72 A 72 PHE F E E BDE + 38 86 -139.8 143.9 177.0 171.6 1.9 174.6 86 -2.5 86 -2.5 0 0.0 0 0.0 12 64
73 A 73 ILE I E E BDE - 37 85 -142.5 163.7 174.5 -121.4 34.2 158.6 37 -1.9 37 -2.7 0 0.0 0 0.0 14 57
74 A 74 CYS C e - 0 0 -101.8 134.7 -177.5 -158.6 24.7 158.6 84 -1.8 0 0.0 0 0.0 0 0.0 12 55
75 A 75 SER S + 0 0 -97.4 -3.7 -180.0 117.7 49.0 58.7 0 0.0 0 0.0 0 0.0 0 0.0 13 43
76 A 76 PHE F S t > > TS- 0 0 -62.0 147.5 -179.6 -77.8 83.8 108.4 0 0.0 79 -2.0 0 0.0 80 -0.7 8 34
77 A 77 PRO P T T 4 3 TS+ 0 0 -49.2 124.4 179.7 2.9 114.5 102.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
78 A 78 GLY G T T > 3 TS+ 0 0 83.6 -15.1 -177.6 98.6 105.5 79.2 0 0.0 82 -1.0 0 0.0 0 0.0 6 22
79 A 79 HIS H T T 4 <>TS+ 0 0 -75.4 -43.6 179.3 43.4 82.3 22.0 76 -2.0 84 -2.7 0 0.0 0 0.0 11 32
80 A 80 CYS C T T < >5TS+ 0 0 -65.9 -44.5 178.8 49.1 116.3 19.1 76 -0.7 83 -2.1 0 0.0 0 0.0 13 37
81 A 81 GLY G T T 4 35TS+ 0 0 -63.0 -25.5 179.6 60.3 105.6 36.8 0 0.0 0 0.0 0 0.0 0 0.0 7 26
82 A 82 GLY G T T < 35TS- 0 0 -82.6 4.1 178.8 -88.7 133.5 67.1 78 -1.0 0 0.0 0 0.0 0 0.0 7 27
83 A 83 GLY G T T <5TS+ 0 0 107.0 -1.1 179.6 139.5 81.1 64.4 80 -2.1 85 -2.3 0 0.0 0 0.0 9 34
84 A 84 MET M e 5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33<>33< 3-turns
bridge-2 A BBBBB DDD EEEEEE b bridge-2
bridge-1 aaaaa A b aaaaa c c CCC CCC BBBBB DDD EEEEEE bridge-1
sheets AAAAA AAAAA BBBB BBB AAAAA BBBBBB BBBBBB sheets
4-turns >444< >>>4<<< >4>4<4< 4-turns
summary eEEEEEeSSS BStTTt BtTTeEEEEEetBTTB EEEEhHHHHHhTt tTTtEEE SeEEEEEe SEEEEEEe tTTTTTTTeEEEEEE summary
sequence AVYNIGWSFNVNGARGKSFRAGDVLVFKYIKGQHNVVAVNGRGYASCSAPRGARTYSSGQDRIKLTRGQNYFICSFPGHCGGGMKIAINAK sequence
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