Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-15.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
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 3.683 ΔGbinding -1.730
TOTAL
 1.953
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.321
Van der Waals -3.562 Backbone clash 0.260
Electrostatics 0.002 Helix dipole 0.000
Solvation Polar 3.249 Water bridges -0.127
Solvation Hyd -5.503 Disulfide 0.000
VdW clashes 0.330 Electrost. Kon -0.066
Entropy sc 0.312 Part.cov.bonds 0.000
Entropy mc

3.311

 ΔGstability

39.767
       

Predicted ligand sequences for model [CYK3_1QCF-15.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).
 
  CYK3_1QCF-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFIIFLRM 0.0
2 RPWIIFLRM 0.01
3 RFFIIFLRM 0.02
4 RPFIIFLRI 0.02
5 RFWIIFLRM 0.03
6 RPWIIFLRI 0.04
7 RFFIIFLRI 0.04
8 RPFIIFKRM 0.04
9 RFFIIFKRM 0.05
10 RPWIIFKRM 0.05
11 RPFIIFERM 0.05
12 RFWIIFLRI 0.06
13 RPWIIFERM 0.06
14 RPFIIFKRI 0.06
15 RFWIIFKRM 0.07
16 RFFIIFERM 0.07
17 RPWIIFKRI 0.07
18 RPFIIFERI 0.07
19 RFFIIFKRI 0.08
20 RFWIIFERM 0.08
21 RPYIIFLRM 0.09
22 RFWIIFKRI 0.09
23 RPWIIFERI 0.09
24 RFFIIFERI 0.09
25 RFYIIFLRM 0.1
26 RFWIIFERI 0.1
27 RPYIIFLRI 0.11
28 RFYIIFLRI 0.12
29 RPYIIFKRM 0.12
30 RPYIIFERM 0.13
31 RFYIIFKRM 0.14
32 RPYIIFKRI 0.14
33 RFYIIFERM 0.15
34 RFYIIFKRI 0.16
35 RPYIIFERI 0.16
36 RFYIIFERI 0.17
37 RPFIVFLRM 0.21
38 RPFIWFLRM 0.21
39 RPWIWFLRM 0.22
40 RFFIVFLRM 0.22
41 RPWIVFLRM 0.22
42 RPFIVFLRI 0.23
43 RPFIWFLRI 0.23
44 RFFIWFLRM 0.23
45 RFWIWFLRM 0.24
46 RPFIVFKRM 0.24
47 MPFIIFLRM 0.24
48 RFWIVFLRM 0.24
49 RPWIVFLRI 0.24
50 RPWIWFLRI 0.25
51 RFFIWFLRI 0.25
52 RPFIWFKRM 0.25
53 RFFIVFLRI 0.25
54 RPFIVFERM 0.26
55 RPWIVFKRM 0.26
56 MPWIIFLRM 0.26
57 RFWIVFLRI 0.26
58 RFFIWFKRM 0.26
59 MFFIIFLRM 0.26
60 RPWIWFKRM 0.26
61 RFFIVFKRM 0.26
62 RPFIWFERM 0.26
63 RIFIIFLRM 0.26
64 RFWIWFLRI 0.27
65 RPFIVFKRI 0.27
66 MPFIIFLRI 0.27
67 RPWIVFERM 0.27
68 RPWIWFERM 0.27
69 RPFIWFKRI 0.27
70 RFFIVFERM 0.27
71 RPFIVFERI 0.28
72 RPWIVFKRI 0.28
73 MPWIIFLRI 0.28
74 RPWIWFKRI 0.28
75 RFFIVFKRI 0.28
76 RPFIWFERI 0.28
77 RFWIWFKRM 0.28
78 RIWIIFLRM 0.28
79 MPFIIFKRM 0.28
80 RFFIWFERM 0.28
81 MFWIIFLRM 0.28
82 RFWIVFKRM 0.28
83 RFWIWFERM 0.29
84 RPYIVFLRM 0.29
85 RPWIVFERI 0.29
86 MFFIIFLRI 0.29
87 RFFIWFKRI 0.29
88 RPYIWFLRM 0.29
89 RFWIVFERM 0.29
90 RIFIIFLRI 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFIIFKRI

2.49

-7.53

-5.04
2 RPFIIFLRI

2.59

-7.25

-4.66
3 RPFIIFKRM

3.39

-8.0

-4.61
4 RPYIIFLRI

2.72

-7.27

-4.55
5 RFYIIFLRI

2.18

-6.69

-4.51
6 RPFIIFERI

1.76

-6.26

-4.5
7 RPWIIFKRI

2.44

-6.72

-4.28
8 RPYIIFLRM

4.07

-8.28

-4.21
9 RPWIIFERI

4.33

-8.33

-4.0
10 RFFIIFERI

2.43

-6.33

-3.9
11 RPYIIFERM

4.48

-8.22

-3.74
12 RPFIIFERM

3.65

-7.27

-3.62
13 RPFIIFLRM

3.87

-7.31

-3.44
14 RFFIIFLRM

3.41

-6.84

-3.43
15 RPWIIFLRM

3.74

-7.12

-3.38
16 RFFIIFLRI

2.14

-5.51

-3.37
17 RFFIIFKRI

3.1

-6.46

-3.36
18 RFWIIFLRM

4.05

-7.4

-3.35
19 RPWIIFLRI

2.67

-6.01

-3.34
20 RPYIIFKRM

3.89

-7.19

-3.3
21 RFFIIFKRM

3.81

-7.04

-3.23
22 RPWIIFKRM

3.87

-7.04

-3.17
23 RFYIIFLRM

3.63

-6.75

-3.12
24 RFFIIFERM

3.62

-6.58

-2.96
25 RFWIIFKRM

4.16

-7.11

-2.95
26 RPWIIFERM

3.85

-6.69

-2.84
27 RFWIIFERM

4.22

-6.86

-2.64
28 RFWIIFERI

3.09

-5.67

-2.58
29 RFWIIFLRI

3.19

-5.57

-2.38
30 RFWIIFKRI

3.84

-5.64

-1.8

 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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