Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
A
 A 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 1.015 ΔGbinding -2.116
TOTAL
 -1.101
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.246
Van der Waals -1.969 Backbone clash 0.000
Electrostatics -0.070 Helix dipole -0.002
Solvation Polar 1.924 Water bridges 0.000
Solvation Hyd -3.114 Disulfide 0.000
VdW clashes 0.058 Electrost. Kon -0.098
Entropy sc 0.394 Part.cov.bonds 0.000
Entropy mc

1.790

 ΔGstability

89.341
       

Predicted ligand sequences for model [CDC25_KJW-FYN-23.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).
 
  CDC25_KJW-FYN-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 MYMPWWF 0.0
2 MYYPWWF 0.06
3 MYMPWWM 0.13
4 MPMPWWF 0.17
5 MYYPWWM 0.19
6 MPYPWWF 0.23
7 MPMPWWM 0.3
8 MMMPWWF 0.35
9 MPYPWWM 0.36
10 MYIPWWF 0.38
11 MMYPWWF 0.41
12 MDMPWWF 0.43
13 MMMPWWM 0.47
14 MQMPWWF 0.49
15 MDYPWWF 0.5
16 MYIPWWM 0.51
17 MMYPWWM 0.54
18 MQYPWWF 0.55
19 MPIPWWF 0.55
20 MDMPWWM 0.56
21 MYMPWYF 0.57
22 MYMPWWI 0.59
23 MQMPWWM 0.62
24 MDYPWWM 0.63
25 MYYPWYF 0.64
26 MYYPWWI 0.66
27 MQYPWWM 0.68
28 MPIPWWM 0.68
29 MYMPWYM 0.7
30 MMIPWWF 0.72
31 MPMPWYF 0.74
32 MYYPWYM 0.76
33 MPMPWWI 0.77
34 MDIPWWF 0.81
35 MPYPWYF 0.81
36 MPYPWWI 0.83
37 MMIPWWM 0.85
38 MQIPWWF 0.87
39 MPMPWYM 0.87
40 MMMPWYF 0.92
41 MPYPWYM 0.93
42 MDIPWWM 0.94
43 MMMPWWI 0.94
44 MYIPWYF 0.95
45 MYIPWWI 0.97
46 MMYPWYF 0.98
47 MQIPWWM 0.99
48 MMYPWWI 1.0
49 MDMPWYF 1.01
50 MDMPWWI 1.03
51 MMMPWYM 1.05
52 MQMPWYF 1.06
53 MDYPWYF 1.07
54 MYIPWYM 1.08
55 MQMPWWI 1.08
56 MDYPWWI 1.09
57 MMYPWYM 1.11
58 MQYPWYF 1.12
59 MPIPWYF 1.12
60 MDMPWYM 1.13
61 MPIPWWI 1.14
62 MQYPWWI 1.15
63 MYMPWYI 1.17
64 MQMPWYM 1.19
65 MDYPWYM 1.2
66 MYYPWYI 1.23
67 MQYPWYM 1.25
68 MPIPWYM 1.25
69 MMIPWYF 1.3
70 MMIPWWI 1.32
71 MPMPWYI 1.34
72 MDIPWYF 1.38
73 MPYPWYI 1.4
74 MDIPWWI 1.41
75 MMIPWYM 1.42
76 MQIPWYF 1.44
77 MQIPWWI 1.46
78 MMMPWYI 1.51
79 MDIPWYM 1.51
80 MYIPWYI 1.54
81 MQIPWYM 1.57
82 MMYPWYI 1.58
83 MDMPWYI 1.6
84 MDYPWYI 1.66
85 MQMPWYI 1.66
86 MQYPWYI 1.72
87 MPIPWYI 1.72
88 MMIPWYI 1.89
89 MDIPWYI 1.98
90 MQIPWYI 2.03
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMMPWWF

2.53

-9.61

-7.08
2 MYMPWWM

2.69

-9.62

-6.93
3 MPMPWWF

2.22

-8.86

-6.64
4 MQMPWWM

2.52

-9.08

-6.56
5 MDMPWWM

3.01

-9.54

-6.53
6 MYMPWWI

2.61

-8.87

-6.26
7 MYMPWWF

2.91

-8.96

-6.05
8 MDMPWWF

2.72

-8.75

-6.03
9 MYIPWWM

2.73

-8.63

-5.9
10 MQMPWWF

2.65

-8.52

-5.87
11 MPMPWWM

2.85

-8.69

-5.84
12 MYMPWYF

2.72

-8.51

-5.79
13 MYMPWYM

2.7

-8.3

-5.6
14 MYIPWWF

2.66

-8.21

-5.55
15 MDYPWWF

2.97

-8.48

-5.51
16 MMMPWWM

2.95

-8.44

-5.49
17 MPIPWWF

3.16

-8.64

-5.48
18 MYYPWWF

2.59

-7.93

-5.34
19 MMIPWWF

3.01

-8.31

-5.3
20 MYYPWWM

2.98

-8.17

-5.19
21 MPYPWWF

2.94

-7.99

-5.05
22 MMYPWWF

3.04

-7.98

-4.94
23 MDYPWWM

3.0

-7.83

-4.83
24 MYYPWWI

2.97

-7.71

-4.74
25 MMYPWWM

2.74

-7.38

-4.64
26 MQYPWWF

3.14

-7.77

-4.63
27 MQYPWWM

3.19

-7.53

-4.34
28 MPYPWWM

2.78

-6.78

-4.0
29 MYYPWYF

3.07

-6.89

-3.82
30 MPIPWWM

4.03

-7.69

-3.66

 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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