Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-2.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 2.414 ΔGbinding 5.229
TOTAL
 7.643
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.947
Van der Waals -4.439 Backbone clash 0.019
Electrostatics -0.066 Helix dipole 0.000
Solvation Polar 4.090 Water bridges 0.000
Solvation Hyd -7.064 Disulfide 0.000
VdW clashes 10.218 Electrost. Kon -0.061
Entropy sc 0.913 Part.cov.bonds 0.000
Entropy mc

1.965

 ΔGstability

11.813
       

Predicted ligand sequences for model [PIN3_1ZX6-2.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).
 
  PIN3_1ZX6-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 LRKHKGRPRH 0.0
2 LRKHKGRDRH 0.03
3 LRKHKGRRRH 0.07
4 LRMHKGRPRH 0.08
5 LRKFKGRPRH 0.09
6 LRLHKGRPRH 0.1
7 LRMHKGRDRH 0.12
8 LRKFKGRDRH 0.13
9 LRLHKGRDRH 0.13
10 LRMHKGRRRH 0.15
11 LRKFKGRRRH 0.16
12 LRMFKGRPRH 0.17
13 LRLHKGRRRH 0.17
14 LRLFKGRPRH 0.19
15 LRMFKGRDRH 0.21
16 LRKHMGRPRH 0.23
17 LRLFKGRDRH 0.23
18 LRMFKGRRRH 0.24
19 LRLFKGRRRH 0.26
20 LRKHMGRDRH 0.27
21 LRKHMGRRRH 0.3
22 LRKHKGRPKH 0.3
23 LRMHMGRPRH 0.32
24 LRLHMGRPRH 0.33
25 LRKFMGRPRH 0.33
26 LRKHKGRDKH 0.34
27 LRMHMGRDRH 0.35
28 LRKFMGRDRH 0.36
29 LRLHMGRDRH 0.37
30 LRKHKGRRKH 0.37
31 LRMHMGRRRH 0.38
32 LRKHPGRPRH 0.39
33 LRMHKGRPKH 0.39
34 LRKFMGRRRH 0.39
35 LRLHMGRRRH 0.4
36 LRLHKGRPKH 0.4
37 LRKFKGRPKH 0.4
38 LRMFMGRPRH 0.41
39 LRKHPGRDRH 0.42
40 LRMHKGRDKH 0.42
41 LRLFMGRPRH 0.43
42 LRKFKGRDKH 0.43
43 LRMFMGRDRH 0.44
44 LRLHKGRDKH 0.44
45 LRKRKGRPRH 0.45
46 LRKHPGRRRH 0.45
47 LRMHKGRRKH 0.45
48 LRKFKGRRKH 0.46
49 LRLFMGRDRH 0.46
50 LRLHKGRRKH 0.47
51 LRMHPGRPRH 0.47
52 LRMFMGRRRH 0.47
53 LRMFKGRPKH 0.48
54 LRKFPGRPRH 0.48
55 LRKRKGRDRH 0.48
56 LRLHPGRPRH 0.49
57 LRLFMGRRRH 0.49
58 LRLFKGRPKH 0.5
59 LRMHPGRDRH 0.5
60 LRKRKGRRRH 0.51
61 LRKFPGRDRH 0.51
62 LRMFKGRDKH 0.51
63 LRLHPGRDRH 0.52
64 LRMRKGRPRH 0.53
65 LRMHPGRRRH 0.53
66 LRLFKGRDKH 0.53
67 LRMFKGRRKH 0.54
68 LRKFPGRRRH 0.54
69 LRKHMGRPKH 0.54
70 LRLHPGRRRH 0.55
71 LRLRKGRPRH 0.55
72 LRLFKGRRKH 0.56
73 LRMRKGRDRH 0.56
74 LRMFPGRPRH 0.56
75 LRKHMGRDKH 0.57
76 LRLRKGRDRH 0.58
77 LRLFPGRPRH 0.58
78 LRMRKGRRRH 0.59
79 LRKHMGRRKH 0.6
80 LRMFPGRDRH 0.6
81 LRLFPGRDRH 0.61
82 LRLRKGRRRH 0.61
83 LRMHMGRPKH 0.62
84 LRKFMGRPKH 0.63
85 LRMFPGRRRH 0.63
86 LRLHMGRPKH 0.64
87 LRLFPGRRRH 0.65
88 LRMHMGRDKH 0.65
89 LRKFMGRDKH 0.66
90 LRLHMGRDKH 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 LRMHMGRPRH

2.35

-12.85

-10.5
2 LRLFKGRRRH

2.12

-11.41

-9.29
3 LRMFKGRPRH

2.99

-11.92

-8.93
4 LRKHKGRDRH

2.0

-10.85

-8.85
5 LRLHMGRPRH

2.26

-11.09

-8.83
6 LRKHMGRPRH

1.76

-10.58

-8.82
7 LRKHKGRPKH

2.06

-10.78

-8.72
8 LRMHKGRPRH

1.63

-10.29

-8.66
9 LRLFKGRDRH

1.91

-10.56

-8.65
10 LRKHKGRRKH

2.2

-10.73

-8.53
11 LRKHMGRDRH

2.17

-10.56

-8.39
12 LRMFKGRDRH

1.95

-10.24

-8.29
13 LRKHKGRRRH

2.62

-10.79

-8.17
14 LRKHMGRRRH

2.45

-10.59

-8.14
15 LRLFKGRPRH

2.06

-10.02

-7.96
16 LRLHMGRDRH

2.32

-10.1

-7.78
17 LRMFKGRRRH

1.92

-9.68

-7.76
18 LRKFKGRDRH

2.33

-10.07

-7.74
19 LRLHKGRDRH

1.87

-9.6

-7.73
20 LRLHKGRPRH

2.77

-10.1

-7.33
21 LRKHKGRDKH

1.69

-8.95

-7.26
22 LRMHMGRDRH

1.72

-8.72

-7.0
23 LRKFMGRDRH

2.93

-9.79

-6.86
24 LRKFMGRPRH

1.96

-8.75

-6.79
25 LRKHKGRPRH

3.46

-9.97

-6.51
26 LRMHKGRDRH

1.83

-8.3

-6.47
27 LRKFKGRPRH

2.41

-8.42

-6.01
28 LRMHKGRRRH

1.83

-7.77

-5.94
29 LRKFKGRRRH

2.96

-8.84

-5.88
30 LRLHKGRRRH

1.76

-7.34

-5.58

 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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