Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-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 2.149 ΔGbinding 1.866
TOTAL
 4.015
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.902
Van der Waals -3.893 Backbone clash 0.287
Electrostatics 0.516 Helix dipole 0.000
Solvation Polar 3.420 Water bridges 0.063
Solvation Hyd -5.865 Disulfide 0.000
VdW clashes 2.963 Electrost. Kon 0.572
Entropy sc 0.434 Part.cov.bonds 0.000
Entropy mc

2.755

 ΔGstability

19.171
       

Predicted ligand sequences for model [LSB3_CKB-OOT-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).
 
  LSB3_CKB-OOT-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHFRRPRHG 0.0
2 FHFLRPRHG 0.01
3 FHPRRPRHG 0.1
4 FHFIRPRHG 0.1
5 FHYRRPRHG 0.11
6 FHPLRPRHG 0.11
7 FHYLRPRHG 0.12
8 FFFRRPRHG 0.19
9 FFFLRPRHG 0.2
10 FHPIRPRHG 0.2
11 FHYIRPRHG 0.22
12 FFPRRPRHG 0.29
13 FFYRRPRHG 0.3
14 FFFIRPRHG 0.3
15 FFPLRPRHG 0.3
16 FFYLRPRHG 0.31
17 FHFRRSRHG 0.33
18 RHFRRPRHG 0.33
19 RHFLRPRHG 0.34
20 FHFLRSRHG 0.34
21 FFPIRPRHG 0.4
22 FFYIRPRHG 0.41
23 FHPRRSRHG 0.43
24 FHFIRSRHG 0.43
25 RHPRRPRHG 0.43
26 RHYRRPRHG 0.44
27 RHFIRPRHG 0.44
28 FHYRRSRHG 0.44
29 RHPLRPRHG 0.44
30 FHPLRSRHG 0.44
31 RHYLRPRHG 0.45
32 FPFRRPRHG 0.45
33 FHYLRSRHG 0.45
34 FPFLRPRHG 0.46
35 FFFRRSRHG 0.52
36 FHPIRSRHG 0.53
37 RFFRRPRHG 0.53
38 FFFLRSRHG 0.53
39 RHPIRPRHG 0.54
40 RFFLRPRHG 0.54
41 FPPRRPRHG 0.55
42 RHYIRPRHG 0.55
43 FPFIRPRHG 0.55
44 FHYIRSRHG 0.55
45 FPYRRPRHG 0.56
46 FPPLRPRHG 0.56
47 FPYLRPRHG 0.57
48 RFPRRPRHG 0.62
49 FFPRRSRHG 0.62
50 FFPLRSRHG 0.63
51 RFPLRPRHG 0.63
52 RFFIRPRHG 0.63
53 FFFIRSRHG 0.63
54 FFYRRSRHG 0.63
55 RFYRRPRHG 0.64
56 FFYLRSRHG 0.64
57 RFYLRPRHG 0.65
58 FPPIRPRHG 0.65
59 RHFRRSRHG 0.66
60 FPYIRPRHG 0.67
61 RHFLRSRHG 0.67
62 FFPIRSRHG 0.73
63 RFPIRPRHG 0.73
64 RFYIRPRHG 0.74
65 FFYIRSRHG 0.74
66 RHPRRSRHG 0.76
67 RHYRRSRHG 0.77
68 RHFIRSRHG 0.77
69 RHPLRSRHG 0.77
70 RHYLRSRHG 0.78
71 RPFRRPRHG 0.78
72 FPFRRSRHG 0.78
73 RPFLRPRHG 0.79
74 FPFLRSRHG 0.79
75 RFFRRSRHG 0.85
76 RFFLRSRHG 0.86
77 RHPIRSRHG 0.86
78 RPPRRPRHG 0.88
79 FPPRRSRHG 0.88
80 FPFIRSRHG 0.88
81 RHYIRSRHG 0.88
82 FPYRRSRHG 0.89
83 RPFIRPRHG 0.89
84 RPPLRPRHG 0.89
85 RPYRRPRHG 0.89
86 FPPLRSRHG 0.89
87 RPYLRPRHG 0.9
88 FPYLRSRHG 0.9
89 RFPRRSRHG 0.95
90 RFFIRSRHG 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHFLRSRHG

2.18

-5.73

-3.55
2 FHPLRSRHG

4.17

-7.12

-2.95
3 FHPRRSRHG

2.82

-5.22

-2.4
4 FFPLRPRHG

5.35

-7.2

-1.85
5 FHYRRSRHG

3.22

-4.9

-1.68
6 FHFIRSRHG

2.98

-4.63

-1.65
7 FFFLRPRHG

5.21

-6.55

-1.34
8 FHFLRPRHG

5.35

-5.91

-0.56
9 FHFRRSRHG

4.29

-4.71

-0.42
10 FFYIRPRHG

5.1

-5.5

-0.4
11 FFFRRPRHG

5.3

-5.54

-0.24
12 RHFLRPRHG

5.16

-4.4

0.76
13 FFFIRPRHG

5.31

-4.3

1.01
14 FHYIRPRHG

5.5

-4.38

1.12
15 FHFRRPRHG

5.69

-4.5

1.19
16 FHFIRPRHG

5.72

-4.4

1.32
17 FFPRRPRHG

8.56

-7.04

1.52
18 RHFIRPRHG

5.74

-4.21

1.53
19 RHPLRPRHG

8.52

-6.83

1.69
20 RHYRRPRHG

6.39

-4.29

2.1
21 FFPIRPRHG

6.08

-3.84

2.24
22 FFYLRPRHG

9.0

-6.72

2.28
23 FHPLRPRHG

8.59

-5.9

2.69
24 FHYLRPRHG

9.46

-6.72

2.74
25 FHPRRPRHG

9.35

-6.39

2.96
26 FHPIRPRHG

7.93

-4.86

3.07
27 FFYRRPRHG

8.74

-5.36

3.38
28 FHYRRPRHG

8.74

-5.05

3.69
29 RHPRRPRHG

8.43

-3.94

4.49
30 RHFRRPRHG

9.09

-4.53

4.56

 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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