Predicted ligand sequences


ADAN-name: 1G1H2.PDB (view again the scoring matrix)

PDB name: [1G1H.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T D y y R K G
position 1 2 3 4 5 6 7
poly-Ala A
A
 A
A
A
 A
G

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 4.409 ΔGbinding -17.628
TOTAL
 -13.219
Backbone Hb -8.550 Cis_bond 0.000
Sidechain Hb -8.512 Torsional clash 0.219
Van der Waals -11.132 Backbone clash 0.375
Electrostatics -3.273 Helix dipole -0.021
Solvation Polar 20.326 Water bridges -0.682
Solvation Hyd -12.344 Disulfide 0.000
VdW clashes 0.780 Electrost. Kon -1.480
Entropy sc 1.838 Part.cov.bonds 0.000
Entropy mc

5.203

 ΔGstability

19.097
       

Predicted ligand sequences for template [1G1H2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  1G1H2.PDB  

(data)
# Predicted Sequences Value Calculate
1 NRyEWsD 0.0
2 PRyEWsD 0.18
3 NRyEWsR 0.21
4 NRyEWDD 0.23
5 MRyEWsD 0.28
6 NRFEWsD 0.35
7 PRyEWsR 0.39
8 PRyEWDD 0.4
9 NRyWWsD 0.41
10 NRyEWDR 0.44
11 NRWEWsD 0.46
12 MRyEWsR 0.49
13 NRyEWKD 0.5
14 MRyEWDD 0.51
15 PRFEWsD 0.53
16 NRFEWsR 0.56
17 NRFEWDD 0.58
18 PRyWWsD 0.59
19 PRyEWDR 0.61
20 NRyWWsR 0.62
21 PRWEWsD 0.63
22 NRyWWDD 0.64
23 MRFEWsD 0.64
24 PRyEWKD 0.67
25 NRWEWsR 0.67
26 NRWEWDD 0.68
27 MRyWWsD 0.69
28 NRyEWKR 0.71
29 MRyEWDR 0.72
30 MRWEWsD 0.74
31 PRFEWsR 0.74
32 PRFEWDD 0.76
33 NRFWWsD 0.77
34 MRyEWKD 0.78
35 NRFEWDR 0.79
36 PRyWWsR 0.8
37 PRyWWDD 0.82
38 PRWEWsR 0.84
39 NRyWWDR 0.85
40 MRFEWsR 0.85
41 NRFEWKD 0.85
42 MRFEWDD 0.86
43 PRWEWDD 0.86
44 NRWWWsD 0.87
45 PRyEWKR 0.88
46 NRWEWDR 0.89
47 MRyWWsR 0.9
48 NRyWWKD 0.91
49 MRyWWDD 0.92
50 PRFWWsD 0.94
51 MRWEWsR 0.95
52 NRWEWKD 0.96
53 PRFEWDR 0.97
54 MRWEWDD 0.97
55 NRFWWsR 0.98
56 MRyEWKR 0.99
57 NRFWWDD 0.99
58 PRyWWDR 1.03
59 PRFEWKD 1.03
60 MRFWWsD 1.05
61 PRWWWsD 1.05
62 NRFEWKR 1.06
63 MRFEWDR 1.07
64 PRWEWDR 1.07
65 NRWWWsR 1.08
66 PRyWWKD 1.09
67 NRWWWDD 1.1
68 NRyWWKR 1.12
69 MRFEWKD 1.13
70 MRyWWDR 1.13
71 PRWEWKD 1.13
72 MRWWWsD 1.15
73 PRFWWsR 1.15
74 PRFWWDD 1.17
75 NRWEWKR 1.17
76 MRWEWDR 1.18
77 MRyWWKD 1.19
78 NRFWWDR 1.2
79 MRWEWKD 1.24
80 PRFEWKR 1.24
81 NRFWWKD 1.26
82 MRFWWsR 1.26
83 PRWWWsR 1.26
84 PRWWWDD 1.27
85 MRFWWDD 1.28
86 PRyWWKR 1.3
87 NRWWWDR 1.31
88 MRFEWKR 1.34
89 PRWEWKR 1.34
90 MRWWWsR 1.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 NRyWWDD

3.84

-23.07

-19.23
2 NRyEWDD

3.86

-22.69

-18.83
3 NRyEWDR

3.82

-22.52

-18.7
4 NRyEWsR

3.97

-22.5

-18.53
5 NRyWWsD

4.62

-22.91

-18.29
6 PRyEWKD

4.3

-22.16

-17.86
7 MRyEWsR

4.5

-22.01

-17.51
8 NRyEWKR

4.55

-21.95

-17.4
9 NRFEWDD

2.04

-19.33

-17.29
10 PRyEWDD

4.32

-21.53

-17.21
11 NRyWWsR

4.47

-21.33

-16.86
12 PRyWWsD

4.01

-20.69

-16.68
13 PRyEWsR

4.49

-20.96

-16.47
14 NRyEWsD

4.03

-20.5

-16.47
15 NRFEWsR

2.2

-18.59

-16.39
16 NRyEWKD

4.5

-20.88

-16.38
17 NRFEWsD

2.05

-18.4

-16.35
18 PRFEWsD

2.11

-18.32

-16.21
19 NRWEWDD

2.51

-18.68

-16.17
20 MRyEWsD

4.17

-20.3

-16.13
21 MRFEWsD

2.28

-18.41

-16.13
22 NRWEWsD

2.2

-18.09

-15.89
23 PRWEWsD

2.07

-17.63

-15.56
24 MRyEWDR

4.37

-19.83

-15.46
25 PRyEWDR

4.61

-19.86

-15.25
26 PRyEWsD

4.45

-19.69

-15.24
27 MRyWWsD

4.74

-19.58

-14.84
28 MRWEWsD

4.28

-17.33

-13.05
29 NRWEWsR

3.98

-16.27

-12.29
30 MRyEWDD

4.61

-16.65

-12.04

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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