Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-5.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 10
poly-Ala
A
A
A
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 4.753 ΔGbinding -2.052
TOTAL
 2.701
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.811
Van der Waals -6.031 Backbone clash 0.107
Electrostatics -0.144 Helix dipole 0.000
Solvation Polar 5.575 Water bridges -0.083
Solvation Hyd -9.105 Disulfide 0.000
VdW clashes 4.088 Electrost. Kon -0.216
Entropy sc 0.690 Part.cov.bonds 0.000
Entropy mc

3.914

 ΔGstability

92.052
       

Predicted ligand sequences for model [CDC25_KJW-FYN-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 INNRDAPDTY 0.0
2 INNRDAPETY 0.01
3 INNRPAPDTY 0.02
4 INNRPAPETY 0.04
5 INNRDAPPTY 0.14
6 INFRDAPDTY 0.14
7 INNRDAPDTF 0.15
8 INNRPAPPTY 0.16
9 INFRDAPETY 0.16
10 INNRDAPETF 0.16
11 INDRDAPDTY 0.16
12 INFRPAPDTY 0.17
13 INNRPAPDTF 0.17
14 INNRPAPETF 0.18
15 INFRPAPETY 0.18
16 INDRDAPETY 0.18
17 INDRPAPDTY 0.19
18 INDRPAPETY 0.2
19 INFRDAPPTY 0.28
20 INNRDAPPTF 0.29
21 INFRDAPDTF 0.29
22 INDRDAPPTY 0.3
23 INFRPAPPTY 0.31
24 INFRDAPETF 0.31
25 INNRPAPPTF 0.31
26 INDRDAPDTF 0.31
27 INFRPAPDTF 0.32
28 INNRDAPDTH 0.32
29 INDRDAPETF 0.32
30 INDRPAPPTY 0.33
31 INNRDAPETH 0.33
32 INFRPAPETF 0.33
33 INDRPAPDTF 0.33
34 INNRPAPDTH 0.34
35 INDRPAPETF 0.35
36 INNRPAPETH 0.35
37 MNNRDAPDTY 0.36
38 MNNRDAPETY 0.38
39 MNNRPAPDTY 0.39
40 MNNRPAPETY 0.4
41 INFRDAPPTF 0.43
42 INNMDAPDTY 0.44
43 INNMDAPETY 0.45
44 INFRPAPPTF 0.45
45 INDRDAPPTF 0.45
46 INNRDAPPTH 0.46
47 INNMPAPDTY 0.46
48 INFRDAPDTH 0.46
49 INDRPAPPTF 0.47
50 INNRDAVDTY 0.47
51 INNRPAPPTH 0.48
52 INFRDAPETH 0.48
53 INNRDAVETY 0.48
54 INNMPAPETY 0.48
55 INDRDAPDTH 0.48
56 INFRPAPDTH 0.49
57 INNRPAVDTY 0.49
58 INDRDAPETH 0.49
59 MNNRDAPPTY 0.5
60 INFRPAPETH 0.5
61 INDRPAPDTH 0.5
62 INNRPAVETY 0.51
63 MNNRDAPDTF 0.51
64 MNFRDAPDTY 0.51
65 INDRPAPETH 0.52
66 MNNRDAPETF 0.52
67 MNFRDAPETY 0.52
68 MNFRPAPDTY 0.53
69 MNNRPAPPTY 0.53
70 MNNRPAPDTF 0.53
71 MNDRDAPDTY 0.53
72 MNDRDAPETY 0.54
73 MNFRPAPETY 0.55
74 MNDRPAPDTY 0.55
75 MNNRPAPETF 0.55
76 MNDRPAPETY 0.56
77 INNMDAPDTF 0.58
78 INFMDAPDTY 0.58
79 INNMDAPPTY 0.58
80 INNMDAPETF 0.6
81 INFMDAPETY 0.6
82 INFRDAPPTH 0.6
83 INDMDAPDTY 0.6
84 INNMPAPPTY 0.6
85 INFRDAVDTY 0.61
86 INFMPAPDTY 0.61
87 INNMPAPDTF 0.61
88 INNRDAVPTY 0.61
89 INDMDAPETY 0.61
90 INDMPAPDTY 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 INFRPAPDTF

2.67

-8.51

-5.84
2 INNRPAPETY

2.77

-8.55

-5.78
3 INNRDAPETF

2.91

-8.65

-5.74
4 INNRDAPDTF

3.79

-9.11

-5.32
5 INNRPAPDTF

3.48

-8.66

-5.18
6 INNRPAPPTF

3.48

-8.54

-5.06
7 INDRDAPETY

3.23

-8.15

-4.92
8 INDRPAPDTY

3.34

-8.19

-4.85
9 INNRPAPDTY

3.46

-8.21

-4.75
10 INNRPAPETF

3.98

-8.7

-4.72
11 INNRDAPETY

3.68

-8.31

-4.63
12 INDRDAPETF

3.57

-8.18

-4.61
13 INFRDAPDTF

4.12

-8.7

-4.58
14 INFRDAPETY

3.83

-8.37

-4.54
15 INDRPAPETY

3.77

-8.26

-4.49
16 INFRPAPETY

4.09

-8.42

-4.33
17 INFRDAPDTY

3.93

-8.08

-4.15
18 INDRPAPPTY

4.1

-8.17

-4.07
19 INNRDAPDTY

4.16

-8.18

-4.02
20 INFRPAPDTY

4.24

-7.96

-3.72
21 INNRPAPPTY

3.42

-7.03

-3.61
22 INDRDAPDTY

4.23

-7.73

-3.5
23 INNRDAPPTF

4.17

-7.62

-3.45
24 INNRDAPDTH

2.91

-6.34

-3.43
25 INNRDAPPTY

4.47

-7.85

-3.38
26 INFRPAPPTY

2.64

-6.02

-3.38
27 INFRDAPPTY

3.83

-7.18

-3.35
28 INDRDAPDTF

3.82

-7.14

-3.32
29 INDRDAPPTY

3.35

-6.65

-3.3
30 INFRDAPETF

4.1

-6.81

-2.71

 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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