Predicted ligand sequences


ADAN-name: 1G1G2.PDB (view again the scoring matrix)

PDB name: [1G1G.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T D Y y R
position 1 2 3 4 5
poly-Ala
A
 A
A
 A A

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 4.164 ΔGbinding -14.721
TOTAL
 -10.557
Backbone Hb -8.300 Cis_bond 0.000
Sidechain Hb -9.137 Torsional clash 0.147
Van der Waals -9.312 Backbone clash 1.230
Electrostatics -1.831 Helix dipole -0.058
Solvation Polar 16.885 Water bridges -0.317
Solvation Hyd -9.994 Disulfide 0.000
VdW clashes 0.750 Electrost. Kon 0.033
Entropy sc 2.798 Part.cov.bonds 0.000
Entropy mc

3.615

 ΔGstability

-4.275
       

Predicted ligand sequences for template [1G1G2.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).
 
  1G1G2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWSWy 0.0
2 yWSYy 0.1
3 yYSWy 0.15
4 yDSWy 0.24
5 yYSYy 0.26
6 yWSyy 0.27
7 yWSWM 0.33
8 yDSYy 0.34
9 yWFWy 0.42
10 yYSyy 0.43
11 PWSWy 0.43
12 yWSYM 0.44
13 yYSWM 0.49
14 yWSWW 0.49
15 yDSyy 0.51
16 yWFYy 0.52
17 PWSYy 0.54
18 yYFWy 0.57
19 yDSWM 0.57
20 yYSYM 0.59
21 yWSYW 0.59
22 PYSWy 0.59
23 yWSyM 0.6
24 yYSWW 0.64
25 yDFWy 0.66
26 yDSYM 0.67
27 PDSWy 0.67
28 yYFYy 0.68
29 PYSYy 0.69
30 yWFyy 0.69
31 PWSyy 0.7
32 yDSWW 0.72
33 yYSYW 0.74
34 yWFWM 0.75
35 yDFYy 0.76
36 yYSyM 0.76
37 yWSyW 0.76
38 PWSWM 0.77
39 PDSYy 0.77
40 yDSYW 0.83
41 yDSyM 0.84
42 yYFyy 0.84
43 PWFWy 0.85
44 PYSyy 0.86
45 yWFYM 0.86
46 PWSYM 0.87
47 yYFWM 0.91
48 yYSyW 0.91
49 yWFWW 0.91
50 PYSWM 0.92
51 PWSWW 0.92
52 yDFyy 0.93
53 PDSyy 0.94
54 PWFYy 0.95
55 yDFWM 0.99
56 PDSWM 1.0
57 yDSyW 1.0
58 yYFYM 1.01
59 PYFWy 1.01
60 yWFYW 1.01
61 PYSYM 1.02
62 PWSYW 1.02
63 yWFyM 1.03
64 PWSyM 1.04
65 yYFWW 1.06
66 PYSWW 1.08
67 yDFYM 1.09
68 PDFWy 1.09
69 PYFYy 1.11
70 PDSYM 1.11
71 PWFyy 1.12
72 yDFWW 1.14
73 yYFYW 1.16
74 PDSWW 1.16
75 PYSYW 1.18
76 yWFyW 1.18
77 yYFyM 1.18
78 PDFYy 1.19
79 PYSyM 1.19
80 PWSyW 1.19
81 PWFWM 1.19
82 yDFYW 1.25
83 PDSYW 1.26
84 yDFyM 1.26
85 PDSyM 1.27
86 PYFyy 1.28
87 PWFYM 1.29
88 yYFyW 1.33
89 PYFWM 1.34
90 PWFWW 1.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yYFYy

2.08

-10.42

-8.34
2 PYSYy

1.95

-10.16

-8.21
3 yWFYy

2.26

-10.46

-8.2
4 yDSyy

3.81

-11.73

-7.92
5 yDSYy

2.1

-9.96

-7.86
6 yYSYM

1.95

-9.67

-7.72
7 yDSYM

2.19

-9.87

-7.68
8 yWSYM

2.19

-9.81

-7.62
9 yYSYy

2.09

-9.5

-7.41
10 PWSYy

3.59

-10.9

-7.31
11 yWFyy

5.55

-12.43

-6.88
12 yWSYy

3.56

-9.98

-6.42
13 yWSyM

5.55

-11.95

-6.4
14 yWSYW

3.69

-9.46

-5.77
15 yWSyy

5.85

-11.38

-5.53
16 yWSWy

5.56

-11.05

-5.49
17 yWFWy

5.69

-11.02

-5.33
18 yDFWy

5.65

-10.38

-4.73
19 PYSWy

6.12

-10.81

-4.69
20 yYSWy

5.66

-10.12

-4.46
21 yYSyy

3.81

-8.22

-4.41
22 yYSWM

5.58

-9.21

-3.63
23 yYSWW

5.57

-9.18

-3.61
24 PDSWy

6.3

-9.74

-3.44
25 yDSWM

5.71

-8.99

-3.28
26 PWSWy

6.98

-10.08

-3.1
27 yYFWy

7.18

-9.9

-2.72
28 yWSWM

6.47

-8.81

-2.34
29 yDSWy

7.02

-8.84

-1.82
30 yWSWW

7.27

-8.24

-0.97

 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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