Secondary structure calculation program - copyright by David Keith Smith, 1989
1fa3A.pdb
1FA3 STRUCTURAL PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 96
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 GLY G 0 0 999.9 -47.4 172.9 999.9 999.9 999.9 0 0.0 45 -2.4 0 0.0 3 -0.7 6 23
2 A 2 GLU E - 0 0 -103.4 103.0 -176.3 -43.3 999.9 159.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
3 A 3 TRP W S S S+ 0 0 32.3 72.8 -178.0 152.7 95.8 30.5 1 -0.7 0 0.0 0 0.0 0 0.0 8 24
4 A 4 GLU E E E AA - 43 0 -125.4 155.9 179.6 -108.9 46.7 149.9 43 -2.3 43 -3.1 0 0.0 0 0.0 8 21
5 A 5 ILE I E E AA - 42 0 -84.3 143.3 177.0 -142.3 31.2 128.8 0 0.0 0 0.0 0 0.0 0 0.0 8 26
6 A 6 ILE I e - 0 0 -105.0 154.8 -180.0 -94.4 26.7 137.6 41 -2.7 0 0.0 0 0.0 0 0.0 8 33
7 A 7 ASP D - 0 0 -69.5 118.6 172.4 -131.0 36.4 124.1 0 0.0 0 0.0 0 0.0 0 0.0 6 28
8 A 8 ILE I + 0 0 -69.4 129.1 -172.3 101.9 62.6 124.0 0 0.0 0 0.0 0 0.0 0 0.0 11 28
9 A 9 GLY G S h > TS- 0 0 174.0 -167.1 -174.0 -36.7 89.2 157.2 0 0.0 13 -3.1 0 0.0 0 0.0 6 24
10 A 10 PRO P H H > TS+ 0 0 -51.0 -41.7 175.4 53.5 132.6 34.1 0 0.0 14 -3.0 0 0.0 0 0.0 6 21
11 A 11 PHE F H H > TS+ 0 0 -53.9 -60.8 -176.6 37.5 115.0 14.1 0 0.0 15 -2.2 0 0.0 0 0.0 7 30
12 A 12 THR T H H > TS+ 0 0 -63.1 -43.6 174.9 54.9 115.6 24.0 0 0.0 16 -3.0 0 0.0 0 0.0 11 44
13 A 13 GLN Q H H X TS+ 0 0 -51.0 -53.5 179.7 50.9 107.4 18.5 9 -3.1 17 -3.2 0 0.0 0 0.0 11 40
14 A 14 ASN N H H X TS+ 0 0 -53.1 -49.7 -179.1 45.7 112.1 25.3 10 -3.0 18 -3.0 0 0.0 0 0.0 8 40
15 A 15 LEU L H H X TS+ 0 0 -64.0 -45.1 175.7 46.7 114.8 21.2 11 -2.2 19 -2.8 0 0.0 0 0.0 9 51
16 A 16 GLY G H H X TS+ 0 0 -58.6 -43.5 178.2 50.6 113.3 22.8 12 -3.0 20 -2.8 0 0.0 0 0.0 14 58
17 A 17 LYS K H H X TS+ 0 0 -57.2 -53.4 176.7 48.9 110.3 17.8 13 -3.2 21 -3.0 0 0.0 0 0.0 10 47
18 A 18 PHE F H H X TS+ 0 0 -53.6 -45.0 176.6 52.7 109.9 26.4 14 -3.0 22 -3.0 0 0.0 0 0.0 8 45
19 A 19 ALA A H H X TS+ 0 0 -56.9 -51.9 178.3 42.5 113.3 17.7 15 -2.8 23 -2.8 0 0.0 0 0.0 13 57
20 A 20 VAL V H H X TS+ 0 0 -62.1 -39.5 -179.6 53.6 113.5 28.1 16 -2.8 24 -3.2 0 0.0 0 0.0 11 49
21 A 21 ASP D H H X TS+ 0 0 -62.0 -47.6 176.0 44.2 111.8 21.2 17 -3.0 25 -2.7 0 0.0 0 0.0 8 39
22 A 22 GLU E H H X TS+ 0 0 -58.7 -54.0 -179.8 47.8 115.6 16.8 18 -3.0 26 -2.6 0 0.0 0 0.0 9 37
23 A 23 GLU E H H X >TS+ 0 0 -54.1 -48.2 178.8 46.7 114.6 22.8 19 -2.8 27 -2.8 0 0.0 28 -1.1 12 39
24 A 24 ASN N H H < 5TS+ 0 0 -61.0 -44.2 -180.0 54.4 109.1 28.7 20 -3.2 0 0.0 0 0.0 0 0.0 12 32
25 A 25 LYS K H H < 5TS+ 0 0 -60.8 -42.0 172.4 42.1 113.4 26.0 21 -2.7 0 0.0 0 0.0 0 0.0 7 21
26 A 26 ILE I H H < 5TS- 0 0 -65.3 -43.5 179.3 -145.7 101.2 26.0 22 -2.6 0 0.0 0 0.0 0 0.0 7 19
27 A 27 GLY G T h < >5T + 0 0 86.6 17.8 -172.2 146.7 47.3 52.2 23 -2.8 30 -2.4 0 0.0 0 0.0 8 21
28 A 28 GLN Q T T 3 T + 0 0 67.1 165.8 178.8 35.2 68.7 80.7 48 -2.1 53 -2.0 0 0.0 52 -1.7 7 11
51 A 51 GLY G T T 3 TS+ 0 0 62.4 -83.1 172.2 26.5 135.5 110.2 0 0.0 0 0.0 0 0.0 0 0.0 4 9
52 A 52 PHE F T T 3 TS- 0 0 -67.4 -36.3 -175.5 -151.4 110.3 34.3 50 -1.7 0 0.0 0 0.0 0 0.0 5 9
53 A 53 ARG R t < T - 0 0 73.3 154.1 169.7 -161.5 16.1 71.1 50 -2.0 0 0.0 0 0.0 0 0.0 8 12
54 A 54 GLU E E E AB - 48 0 -159.6 149.6 173.9 -103.0 27.1 158.9 48 -1.5 48 -2.8 0 0.0 0 0.0 8 16
55 A 55 ILE I E E AB + 47 0 -69.5 134.8 175.5 165.8 40.7 126.3 0 0.0 0 0.0 0 0.0 0 0.0 8 24
56 A 56 LYS K E E A* - 0 0 -117.9 -33.7 -171.0 -55.1 55.0 51.4 46 -2.7 79 -2.5 0 0.0 80 -0.6 10 27
57 A 57 GLY G E E ABC - 46 78 -175.9 -154.0 175.6 -89.4 53.3 147.9 46 -2.6 46 -2.8 0 0.0 0 0.0 12 33
58 A 58 TYR Y E E ABC - 45 77 -144.7 161.2 169.1 -143.0 19.8 162.1 77 -2.3 77 -2.6 0 0.0 0 0.0 13 38
59 A 59 GLU E E E ABC - 44 76 -125.0 151.1 -179.0 -161.0 8.3 160.4 44 -2.9 44 -2.4 0 0.0 0 0.0 12 43
60 A 60 TYR Y E E ABC - 43 75 -134.8 118.3 176.2 -166.9 2.0 170.8 75 -2.7 75 -2.9 0 0.0 62 -0.6 11 53
61 A 61 GLN Q E E ABC + 42 74 -107.6 111.6 -172.7 160.4 27.0 160.9 42 -3.0 42 -2.7 0 0.0 0 0.0 12 53
62 A 62 LEU L E E ABC - 41 73 -138.5 154.3 -178.1 -121.7 42.8 156.9 73 -2.8 73 -3.0 60 -0.6 64 -0.7 14 59
63 A 63 TYR Y E E ABC - 38 72 -103.1 104.5 -175.9 -165.7 32.7 151.5 40 -1.3 38 -2.8 38 -1.0 0 0.0 13 52
64 A 64 VAL V E E ABC - 37 71 -96.6 133.6 176.5 -144.7 10.7 139.9 71 -2.3 71 -3.0 62 -0.7 66 -0.5 14 55
65 A 65 TYR Y E E ABC + 36 70 -97.8 123.3 175.5 166.9 25.8 152.1 36 -3.0 35 -3.0 0 0.0 36 -1.3 13 46
66 A 66 ALA A E E ABC> TS- 34 69 -139.5 130.6 -175.0 -7.0 71.8 174.7 69 -2.9 69 -2.1 64 -0.5 0 0.0 13 43
67 A 67 SER S T e 3 TS- 0 0 50.4 40.3 -174.2 -63.1 127.4 30.6 33 -3.0 0 0.0 0 0.0 0 0.0 8 30
68 A 68 ASP D T T 3 TS+ 0 0 50.1 32.7 169.0 119.5 115.0 40.8 0 0.0 0 0.0 0 0.0 0 0.0 6 26
69 A 69 LYS K E E AC < T - 66 0 -119.1 129.8 -176.9 -138.2 60.3 171.7 66 -2.1 66 -2.9 0 0.0 0 0.0 8 35
70 A 70 LEU L E E AC + 65 0 -94.7 125.6 178.4 176.1 26.1 144.6 0 0.0 93 -2.9 0 0.0 0 0.0 13 38
71 A 71 PHE F E E AC - 64 0 -124.6 149.5 172.1 -124.1 29.6 159.3 64 -3.0 64 -2.3 0 0.0 73 -0.6 13 51
72 A 72 ARG R E E ACD - 63 90 -92.1 123.6 173.1 -168.1 28.2 149.9 90 -2.4 90 -2.9 0 0.0 0 0.0 13 50
73 A 73 ALA A E E ACD - 62 89 -111.7 133.1 169.7 -158.9 9.5 161.8 62 -3.0 62 -2.8 71 -0.6 75 -0.5 15 55
74 A 74 ASP D E E ACD - 61 88 -107.4 122.0 -178.0 -172.7 17.0 167.3 88 -2.7 87 -2.4 0 0.0 88 -2.0 12 52
75 A 75 ILE I E E ACD - 60 86 -113.3 146.2 169.6 -152.9 9.5 149.9 60 -2.9 60 -2.7 73 -0.5 0 0.0 14 48
76 A 76 SER S E E ACD - 59 85 -112.2 154.5 169.2 -161.0 2.1 150.1 85 -3.1 85 -2.4 0 0.0 0 0.0 12 42
77 A 77 GLU E E E ACD - 58 84 -130.9 115.5 175.0 -150.4 10.9 165.7 58 -2.6 58 -2.3 0 0.0 79 -0.5 11 38
78 A 78 ASP D E E >ACD >T - 57 83 -86.9 124.4 -175.3 -149.5 6.8 143.3 83 -2.3 82 -2.1 0 0.0 83 -0.8 11 27
79 A 79 TYR Y T e 4 5TS+ 0 0 -58.3 -49.3 -169.7 45.8 92.1 25.8 56 -2.5 0 0.0 77 -0.5 0 0.0 9 24
80 A 80 LYS K T T 4 5TS+ 0 0 -68.9 -51.7 172.8 36.2 120.9 19.7 56 -0.6 0 0.0 0 0.0 0 0.0 6 19
81 A 81 THR T T T 4 5TS- 0 0 -62.9 -34.0 -176.7 -147.5 97.0 34.8 0 0.0 0 0.0 0 0.0 0 0.0 5 14
82 A 82 ARG R T T < 5T + 0 0 64.0 34.7 -177.0 124.3 56.0 35.6 78 -2.1 0 0.0 0 0.0 0 0.0 7 19
83 A 83 GLY G E E AD 5555< >5555< 5-turns
3-turns >33< >33< >33< 3-turns
bridge-2 B*BBB**BBBBBBBB CCCCCCCCCC DDDDDDD bridge-2
bridge-1 AA AA BB*BBBBBBBBBB CCCCCCCCCC DDDD*DDD bridge-1
sheets AA AAAAAAAAAAAAAAA AAAAAAAAAAAAA AAAAAAAAAA AAAAAAAA sheets
4-turns >>>>XXXXXXXXXXX<<<< >444< 4-turns
summary SEEe hHHHHHHHHHHHHHHHHHhTTt eEEEEEEEEEEEEEEEStTTtEEEEEEEEEEEEEeTEEEEEEEEEEeTTTEEEEEEEE summary
sequence GEWEIIDIGPFTQNLGKFAVDEENKIGQYGRLTFNKVIRPCMKKTIYENEGFREIKGYEYQLYVYASDKLFRADISEDYKTRGRKLLRFNGPVPPP sequence
10 20 30 40 50 60 70 80 90