Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-16.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 5.912 ΔGbinding 0.138
TOTAL
 6.050
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.684
Van der Waals -4.496 Backbone clash 0.407
Electrostatics 0.135 Helix dipole 0.002
Solvation Polar 3.934 Water bridges -0.001
Solvation Hyd -6.852 Disulfide 0.000
VdW clashes 2.891 Electrost. Kon 0.192
Entropy sc 0.760 Part.cov.bonds 0.000
Entropy mc

4.164

 ΔGstability

94.390
       

Predicted ligand sequences for model [CDC25_KJW-FYN-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPDLPSIFM 0.0
2 FPDLPSIFM 0.02
3 RPDLWSIFM 0.04
4 RPDLDSIFM 0.04
5 FPDLDSIFM 0.06
6 FPDLWSIFM 0.07
7 HPDLPSIFM 0.1
8 RPDLPSIMM 0.12
9 HPDLDSIFM 0.13
10 FPDLPSIMM 0.14
11 HPDLWSIFM 0.14
12 RPDLDSIMM 0.16
13 RPDLWSIMM 0.16
14 FPDLDSIMM 0.18
15 RPDLPSIWM 0.19
16 FPDLWSIMM 0.19
17 FPDLPSIWM 0.22
18 HPDLPSIMM 0.22
19 RPDLWSIWM 0.23
20 RPFLPSIFM 0.23
21 RPDLDSIWM 0.23
22 FPDLDSIWM 0.25
23 FPFLPSIFM 0.25
24 HPDLDSIMM 0.25
25 FPDLWSIWM 0.26
26 RPDVPSIFM 0.26
27 HPDLWSIMM 0.26
28 RPFLDSIFM 0.26
29 RPFLWSIFM 0.27
30 FPFLWSIFM 0.29
31 FPDVPSIFM 0.29
32 FPFLDSIFM 0.29
33 HPDLPSIWM 0.29
34 RPYLPSIFM 0.3
35 RPDVDSIFM 0.3
36 RPDVWSIFM 0.31
37 HPFLPSIFM 0.32
38 HPDLDSIWM 0.33
39 FPDVWSIFM 0.33
40 FPYLPSIFM 0.33
41 HPDLWSIWM 0.33
42 FPDVDSIFM 0.33
43 RPYLDSIFM 0.34
44 RPYLWSIFM 0.34
45 RPDLPGIFM 0.34
46 RPFLPSIMM 0.34
47 HPFLDSIFM 0.36
48 FPYLDSIFM 0.36
49 HPDVPSIFM 0.36
50 FPDLPGIFM 0.37
51 FPFLPSIMM 0.37
52 FPYLWSIFM 0.37
53 HPFLWSIFM 0.37
54 RPFLDSIMM 0.38
55 RPDVPSIMM 0.38
56 RPDLDGIFM 0.38
57 RPFLWSIMM 0.39
58 RPDLWGIFM 0.39
59 HPDVDSIFM 0.4
60 HPDVWSIFM 0.4
61 HPYLPSIFM 0.4
62 FPFLWSIMM 0.41
63 FPDVPSIMM 0.41
64 FPDLWGIFM 0.41
65 FPDLDGIFM 0.41
66 FPFLDSIMM 0.41
67 RPDLPSEFM 0.41
68 RPDVDSIMM 0.42
69 RPFLPSIWM 0.42
70 RPYLPSIMM 0.42
71 RPDVWSIMM 0.43
72 HPYLDSIFM 0.43
73 FPYLPSIMM 0.44
74 FPDLPSEFM 0.44
75 HPFLPSIMM 0.44
76 HPDLPGIFM 0.44
77 FPDVDSIMM 0.44
78 HPYLWSIFM 0.44
79 FPFLPSIWM 0.44
80 RPDLDSEFM 0.45
81 FPDVWSIMM 0.45
82 RPDVPSIWM 0.46
83 RPDLWSEFM 0.46
84 RPYLWSIMM 0.46
85 RPYLDSIMM 0.46
86 RPFLDSIWM 0.46
87 RPDLPGIMM 0.46
88 RPFLWSIWM 0.46
89 FPDLDSEFM 0.48
90 HPDVPSIMM 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HPDLWSIMM

6.63

-8.11

-1.48
2 FPFLWSIFM

6.28

-7.4

-1.12
3 HPDLPSIMM

7.41

-8.37

-0.96
4 HPDLDSIMM

6.73

-7.5

-0.77
5 HPDLWSIFM

6.49

-7.16

-0.67
6 RPDLDSIMM

7.68

-8.28

-0.6
7 RPDLWSIMM

6.65

-6.82

-0.17
8 FPFLPSIFM

6.62

-6.7

-0.08
9 FPDLPSIMM

6.92

-6.97

-0.05
10 HPDLDSIFM

6.29

-6.22

0.07
11 FPDLPSIFM

6.71

-6.64

0.07
12 FPDLDSIMM

7.1

-6.98

0.12
13 RPDLWSIFM

7.19

-6.96

0.23
14 FPDLDSIFM

6.89

-6.61

0.28
15 RPDLDSIWM

6.33

-5.98

0.35
16 RPDLDSIFM

7.05

-6.67

0.38
17 FPDLWSIFM

5.96

-5.42

0.54
18 RPFLWSIFM

7.13

-6.48

0.65
19 FPDLWSIWM

5.9

-5.22

0.68
20 HPDLPSIFM

7.39

-6.58

0.81
21 FPDLPSIWM

7.13

-6.19

0.94
22 FPDLWSIMM

7.12

-6.11

1.01
23 RPDLPSIMM

8.23

-6.95

1.28
24 FPDLDSIWM

7.08

-5.64

1.44
25 RPDLPSIFM

8.1

-6.57

1.53
26 RPDLWSIWM

6.31

-4.74

1.57
27 RPDLPSIWM

7.46

-5.62

1.84
28 RPFLDSIFM

6.54

-4.52

2.02
29 RPFLPSIFM

7.01

-3.98

3.03
30 RPDVPSIFM

9.05

-4.92

4.13

 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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