Secondary structure calculation program - copyright by David Keith Smith, 1989
1g25A.pdb
1G25 METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 65
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 MET M 0 0 999.9 15.1 -180.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
2 A 2 ASP D t > T + 0 0 -128.6 -63.5 179.9 152.6 999.9 54.1 0 0.0 5 -1.6 0 0.0 0 0.0 9 27
3 A 3 ASP D T T 3 TS- 0 0 60.3 -147.4 -179.8 -20.1 84.6 105.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
4 A 4 GLN Q T T 3 TS- 0 0 -69.1 -7.7 -179.7 -115.3 103.7 52.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
5 A 5 GLY G t < T - 0 0 82.4 137.5 180.0 -49.5 48.3 68.7 2 -1.6 0 0.0 0 0.0 0 0.0 10 31
6 A 6 CYS C - 0 0 -32.4 160.5 177.6 -135.6 48.1 79.6 0 0.0 0 0.0 0 0.0 0 0.0 15 40
7 A 7 PRO P S t > TS+ 0 0 -88.9 -66.4 -179.6 29.8 94.5 21.4 0 0.0 10 -1.0 0 0.0 0 0.0 11 38
8 A 8 ARG R T T 3 TS+ 0 0 -60.0 -71.0 179.2 18.3 141.6 4.6 0 0.0 10 -0.6 0 0.0 0 0.0 9 39
9 A 9 CYS C T T > TS- 0 0 -93.4 46.5 -176.8 -164.8 87.1 105.2 0 0.0 12 -1.0 0 0.0 0 0.0 10 34
10 A 10 LYS K T T < T + 0 0 -35.5 93.8 -179.2 70.9 65.7 90.2 7 -1.0 0 0.0 8 -0.6 0 0.0 7 32
11 A 11 THR T T h > 3>T + 0 0 -176.1 -43.5 -176.5 86.7 64.9 76.8 0 0.0 15 -3.2 0 0.0 16 -0.7 9 29
12 A 12 THR T H H > X5TS+ 0 0 -47.1 -109.6 -176.5 28.8 95.0 30.9 9 -1.0 16 -2.4 0 0.0 15 -1.7 15 33
13 A 13 LYS K H H 4 35TS+ 0 0 -26.8 -38.1 179.0 52.0 124.9 41.1 0 0.0 0 0.0 0 0.0 0 0.0 15 32
14 A 14 TYR Y H H 4 35TS+ 0 0 -70.0 -45.0 176.7 14.9 132.4 13.9 0 0.0 0 0.0 0 0.0 0 0.0 12 26
15 A 15 ARG R H H < <5TS+ 0 0 -88.4 -53.7 179.5 61.9 126.4 23.7 11 -3.2 0 0.0 12 -1.7 0 0.0 7 22
16 A 16 ASN N h < T - 0 0 -128.6 176.4 -179.3 -73.0 37.0 138.9 0 0.0 27 -2.2 0 0.0 0 0.0 14 38
25 A 25 VAL V T T 3 TS+ 0 0 -33.3 -74.3 -179.6 47.2 130.8 28.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28
26 A 26 CYS C T T 3 TS- 0 0 -44.8 -24.2 179.6 -118.9 119.6 36.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
27 A 27 GLY G t < T + 0 0 83.7 77.5 -179.9 124.4 68.2 20.7 24 -2.2 0 0.0 0 0.0 0 0.0 6 28
28 A 28 HIS H - 0 0 -130.6 -98.9 -179.7 -80.0 59.3 72.7 0 0.0 0 0.0 0 0.0 0 0.0 10 36
29 A 29 THR T - 0 0 -179.3 134.2 179.0 -178.1 28.2 142.3 0 0.0 0 0.0 0 0.0 0 0.0 11 47
30 A 30 LEU L E E AB - 22 0 -141.6 95.4 -178.4 -139.3 26.7 143.2 22 -0.9 22 -3.8 0 0.0 0 0.0 18 52
31 A 31 CYS C E E >AB > T - 21 0 -44.9 172.1 179.0 -98.6 34.0 83.1 0 0.0 35 -1.5 0 0.0 34 -0.9 17 48
32 A 32 GLU E H H > 3 TS+ 0 0 -63.9 -41.9 179.4 51.7 127.3 21.3 20 -0.6 36 -0.7 0 0.0 0 0.0 12 45
33 A 33 SER S H H > 3 TS+ 0 0 -71.7 -8.0 179.2 60.8 104.7 52.3 0 0.0 37 -1.3 0 0.0 0 0.0 10 41
34 A 34 CYS C H H > < TS+ 0 0 -83.1 -59.1 179.7 54.9 94.7 16.1 31 -0.9 38 -4.2 0 0.0 0 0.0 13 45
35 A 35 VAL V H H X TS+ 0 0 -43.3 -25.6 179.8 52.9 111.4 36.3 31 -1.5 39 -0.7 0 0.0 0 0.0 11 44
36 A 36 ASP D H H X TS+ 0 0 -79.1 -49.6 -179.3 24.4 121.9 18.8 32 -0.7 40 -1.1 0 0.0 0 0.0 8 36
37 A 37 LEU L H H X TS+ 0 0 -87.5 -23.8 -179.5 63.5 117.3 41.1 33 -1.3 41 -0.6 0 0.0 0 0.0 9 30
38 A 38 LEU L H H < >TS+ 0 0 -66.1 -43.6 -177.8 27.0 116.4 22.9 34 -4.2 43 -2.6 0 0.0 0 0.0 12 39
39 A 39 PHE F H H < >5TS+ 0 0 -88.7 -42.6 -179.5 62.6 112.3 28.2 35 -0.7 42 -1.8 0 0.0 0 0.0 10 32
40 A 40 VAL V H H < 35TS+ 0 0 -57.0 -15.9 -179.6 37.6 116.1 42.3 36 -1.1 0 0.0 0 0.0 0 0.0 7 22
41 A 41 ARG R T h < 35TS- 0 0 -114.8 1.4 180.0 -32.2 149.2 66.8 37 -0.6 0 0.0 0 0.0 0 0.0 6 19
42 A 42 GLY G T T <5T - 0 0 178.9 -57.5 -179.0 -149.2 64.2 88.1 39 -1.8 0 0.0 0 0.0 0 0.0 7 23
43 A 43 ALA A S t T - 0 0 -42.7 144.0 179.4 -118.4 26.8 93.7 51 -1.5 50 -0.7 0 0.0 0 0.0 12 43
47 A 47 PRO P T T 4 TS+ 0 0 -65.3 -5.9 -180.0 7.8 105.7 56.7 0 0.0 0 0.0 0 0.0 0 0.0 12 44
48 A 48 GLU E T T 4 TS+ 0 0 -141.6 -57.4 -179.6 35.4 136.0 59.5 0 0.0 0 0.0 0 0.0 0 0.0 7 36
49 A 49 CYS C T T 4 TS- 0 0 -90.3 16.4 178.7 -138.2 87.5 72.5 0 0.0 0 0.0 0 0.0 0 0.0 6 25
50 A 50 GLY G t < T - 0 0 37.4 25.4 179.1 -178.4 34.7 42.4 46 -0.7 0 0.0 0 0.0 0 0.0 9 31
51 A 51 THR T - 0 0 -51.8 143.5 -179.7 -103.1 40.9 102.6 0 0.0 53 -2.3 0 0.0 46 -1.5 8 26
52 A 52 PRO P - 0 0 -70.6 77.9 179.9 -146.3 38.5 115.8 0 0.0 0 0.0 0 0.0 0 0.0 7 24
53 A 53 LEU L - 0 0 -48.3 114.5 -179.8 -132.6 12.2 103.3 51 -2.3 0 0.0 0 0.0 0 0.0 12 29
54 A 54 ARG R S S S- 0 0 -43.3 -25.1 -179.9 -23.7 88.6 37.9 0 0.0 0 0.0 0 0.0 0 0.0 6 20
55 A 55 LYS K S S S- 0 0 170.8 88.6 -179.9 -64.8 103.9 102.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
56 A 56 SER S + 0 0 59.1 -121.0 -179.9 170.3 61.0 112.1 0 0.0 0 0.0 0 0.0 0 0.0 10 37
57 A 57 ASN N + 0 0 79.3 102.6 179.1 162.7 2.8 34.5 0 0.0 0 0.0 0 0.0 0 0.0 9 35
58 A 58 PHE F - 0 0 -154.1 101.4 -178.9 -160.8 21.4 139.9 0 0.0 60 -1.0 0 0.0 0 0.0 10 44
59 A 59 ARG R E E AA - 23 0 -89.3 104.1 -178.7 -164.8 18.1 137.3 23 -2.5 23 -2.1 0 0.0 0 0.0 8 31
60 A 60 VAL V E E AA + 22 0 -88.6 155.5 179.9 136.5 22.5 121.8 58 -1.0 0 0.0 0 0.0 0 0.0 11 32
61 A 61 GLN Q E E AA + 21 0 -179.6 170.6 -179.9 159.1 16.0 165.4 21 -0.8 21 -1.1 0 0.0 0 0.0 8 30
62 A 62 LEU L + 0 0 -175.4 -40.5 180.0 79.2 63.6 78.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
63 A 63 PHE F - 0 0 -50.5 -63.6 179.9 -179.3 61.9 13.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17
64 A 64 GLU E 0 0 59.7 90.1 -179.9 999.9 999.9 18.7 0 0.0 0 0.0 0 0.0 0 0.0 4 12
65 A 65 ASP D 0 0 -165.0 999.9 999.9 999.9 999.9 78.3 0 0.0 0 0.0 0 0.0 0 0.0 2 4
1g25A.pdb
1G25 METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TT STTTTHHHH SS EEE TT EEHHHHHHHHHTTSSS TTT SS EEE Kabs/Sand
chirality +----++-++++++-++------+-+----+++++++++--++--++-------++--+++- chirality
bends SS SSS SSSS SS SS SSSSSSSSSS SSS SSS SS bends
turns TTTT TTTTTTTTTT TTTT TTTTTTTTTTTTT TTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33< >3><3X33< >33< >33< >33< 3-turns
bridge-2 BB bridge-2
bridge-1 AAA BB AAA bridge-1
sheets AAA AA AAA sheets
4-turns >>44<< >>>>XXX<<<< >444< 4-turns
summary tTTt tTTThHHHHhSS eEEEtTTt EEHHHHHHHHHhTtSStTTTt SS EEE summary
sequence MDDQGCPRCKTTKYRNPSLKLMVNVCGHTLCESCVDLLFVRGAGNCPECGTPLRKSNFRVQLFED sequence
10 20 30 40 50 60