Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-20.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
 A
A
A
 A
G
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 2.841 ΔGbinding -4.052
TOTAL
 -1.211
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.378
Van der Waals -4.346 Backbone clash 0.103
Electrostatics 0.084 Helix dipole 0.002
Solvation Polar 3.624 Water bridges 0.000
Solvation Hyd -6.826 Disulfide 0.000
VdW clashes 0.500 Electrost. Kon 0.102
Entropy sc 0.522 Part.cov.bonds 0.000
Entropy mc

3.183

 ΔGstability

88.336
       

Predicted ligand sequences for model [CDC25_KJW-FYN-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFMPGRRF 0.0
2 FPYMPGRRF 0.01
3 FPFMPGRRP 0.02
4 FPFMFGRRF 0.02
5 FPYMFGRRF 0.03
6 FPYMPGRRP 0.04
7 FPFMFGRRP 0.04
8 FPYMFGRRP 0.05
9 FPWMPGRRF 0.05
10 FPWMFGRRF 0.07
11 FPWMPGRRP 0.07
12 FPWMFGRRP 0.09
13 FPFMPGRWF 0.1
14 FPYMPGRWF 0.11
15 FPFMPGRWP 0.12
16 FPFMFGRWF 0.12
17 FPYMPGRWP 0.13
18 FPYMFGRWF 0.13
19 FPFMFGRWP 0.14
20 FPWMPGRWF 0.15
21 FPYMFGRWP 0.15
22 FPWMPGRWP 0.17
23 FPWMFGRWF 0.17
24 FPFMIGRRF 0.18
25 FPWMFGRWP 0.19
26 FPYMIGRRF 0.2
27 FPFMIGRRP 0.21
28 FPYMIGRRP 0.22
29 FPFMPGRRY 0.23
30 FPWMIGRRF 0.24
31 FPYMPGRRY 0.24
32 FPFMFGRRY 0.25
33 FPYMFGRRY 0.26
34 FPWMIGRRP 0.26
35 FPWMPGRRY 0.28
36 FPFMIGRWF 0.28
37 FPYMIGRWF 0.3
38 FPFMIGRWP 0.3
39 FPWMFGRRY 0.3
40 FPFIPGRRF 0.31
41 FMFMPGRRF 0.31
42 FPYIPGRRF 0.32
43 FPYMIGRWP 0.32
44 FMYMPGRRF 0.32
45 FPFMPGRWY 0.33
46 FPFIPGRRP 0.33
47 FMFMFGRRF 0.33
48 FPFIFGRRF 0.33
49 FMFMPGRRP 0.33
50 FPYMPGRWY 0.34
51 FPYIPGRRP 0.34
52 FMYMFGRRF 0.34
53 FPWMIGRWF 0.34
54 FPYIFGRRF 0.34
55 FMYMPGRRP 0.34
56 FMFMFGRRP 0.35
57 FPFMFGRWY 0.35
58 FPFIFGRRP 0.35
59 FMWMPGRRF 0.36
60 FMYMFGRRP 0.36
61 FPWIPGRRF 0.36
62 FPWMIGRWP 0.36
63 FPYIFGRRP 0.36
64 FPYMFGRWY 0.36
65 FPWMPGRWY 0.38
66 FMWMPGRRP 0.38
67 FMWMFGRRF 0.38
68 FPWIPGRRP 0.38
69 FPWIFGRRF 0.38
70 FPFMPGRKF 0.38
71 FPYMPGRKF 0.39
72 FIFMPGRRF 0.39
73 FPWMFGRWY 0.4
74 FMWMFGRRP 0.4
75 FPFMFGRKF 0.4
76 FIYMPGRRF 0.4
77 FPWIFGRRP 0.4
78 FPFMPGRKP 0.4
79 FPFIPGRWF 0.41
80 FMFMPGRWF 0.41
81 FPYMFGRKF 0.41
82 FIFMFGRRF 0.41
83 FPYMPGRKP 0.41
84 FPFMIGRRY 0.41
85 FIFMPGRRP 0.41
86 FMFMFGRWF 0.42
87 FMYMPGRWF 0.42
88 FPFMFGRKP 0.42
89 FPYIPGRWF 0.42
90 FIYMFGRRF 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPFMPGRRF

3.27

-11.06

-7.79
2 FPYMPGRRP

3.59

-10.93

-7.34
3 FPFMPGRRY

3.37

-10.31

-6.94
4 FPYMIGRRP

3.89

-10.82

-6.93
5 FPFMPGRRP

3.6

-10.5

-6.9
6 FPYMFGRWF

4.24

-11.12

-6.88
7 FPFMFGRRP

4.04

-10.78

-6.74
8 FPFMIGRRP

4.1

-10.69

-6.59
9 FPWMFGRRP

3.5

-10.03

-6.53
10 FPWMPGRRP

3.96

-10.48

-6.52
11 FPYMFGRWP

3.58

-10.0

-6.42
12 FPYMIGRRF

3.33

-9.73

-6.4
13 FPFMFGRRF

3.46

-9.76

-6.3
14 FPYMFGRRP

3.74

-10.0

-6.26
15 FPYMPGRRF

3.36

-9.59

-6.23
16 FPFMIGRRF

3.53

-9.64

-6.11
17 FPWMFGRWP

3.82

-9.73

-5.91
18 FPWMPGRWP

3.38

-9.29

-5.91
19 FPWMIGRRF

3.35

-9.01

-5.66
20 FPWMPGRRF

3.57

-9.17

-5.6
21 FPYMPGRWP

3.69

-9.22

-5.53
22 FPYMFGRRF

4.25

-9.74

-5.49
23 FPFMPGRWP

3.96

-9.45

-5.49
24 FPWMFGRWF

3.84

-9.31

-5.47
25 FPWMFGRRF

3.38

-8.84

-5.46
26 FPFMPGRWF

3.65

-8.98

-5.33
27 FPYMPGRWF

3.7

-8.98

-5.28
28 FPFMFGRWF

3.67

-8.87

-5.2
29 FPWMPGRWF

3.68

-8.76

-5.08
30 FPFMFGRWP

3.68

-8.45

-4.77

 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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