Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKB-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
 G 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 4.088 ΔGbinding -2.853
TOTAL
 1.235
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.323
Van der Waals -2.909 Backbone clash 0.013
Electrostatics 0.109 Helix dipole 0.000
Solvation Polar 2.730 Water bridges -0.004
Solvation Hyd -4.201 Disulfide 0.000
VdW clashes 0.161 Electrost. Kon 0.115
Entropy sc 0.599 Part.cov.bonds 0.000
Entropy mc

1.500

 ΔGstability

33.245
       

Predicted ligand sequences for model [PIN3_1CKB-7.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_1CKB-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WLRFPPWR 0.0
2 WLPFPPWR 0.0
3 WLKFPPWR 0.01
4 WMPFPPWR 0.13
5 WMRFPPWR 0.13
6 WMKFPPWR 0.14
7 WLRFPPWH 0.19
8 WLPFPPWH 0.19
9 WRRFPPWR 0.2
10 WRPFPPWR 0.2
11 WLKFPPWH 0.2
12 WRKFPPWR 0.21
13 WMPFPPWH 0.32
14 WMRFPPWH 0.32
15 WMKFPPWH 0.33
16 WRRFPPWH 0.39
17 WRPFPPWH 0.39
18 WRKFPPWH 0.4
19 WLPFPRWR 0.4
20 WLRFPRWR 0.4
21 WLKFPRWR 0.41
22 ILPFPPWR 0.43
23 ILRFPPWR 0.43
24 ILKFPPWR 0.44
25 WLPFPKWR 0.45
26 WLRFPKWR 0.45
27 WLKFPKWR 0.47
28 WLRIPPWR 0.48
29 WLPIPPWR 0.48
30 WLKIPPWR 0.49
31 WMPFPRWR 0.53
32 WMRFPRWR 0.53
33 WMKFPRWR 0.54
34 IMPFPPWR 0.55
35 IMRFPPWR 0.56
36 IMKFPPWR 0.57
37 WMRFPKWR 0.58
38 WMPFPKWR 0.58
39 WMKFPKWR 0.59
40 WLPFPRWH 0.59
41 WRPFPRWR 0.59
42 WLRFPRWH 0.59
43 WRRFPRWR 0.6
44 WLKFPRWH 0.6
45 WRKFPRWR 0.61
46 WMPIPPWR 0.61
47 WMRIPPWR 0.61
48 ILPFPPWH 0.62
49 WMKIPPWR 0.62
50 ILRFPPWH 0.62
51 IRPFPPWR 0.62
52 IRRFPPWR 0.63
53 ILKFPPWH 0.63
54 WLPFPKWH 0.64
55 WLRFPKWH 0.64
56 IRKFPPWR 0.64
57 WRRFPKWR 0.65
58 WLKFPKWH 0.65
59 WRPFPKWR 0.65
60 WRKFPKWR 0.66
61 WLRIPPWH 0.67
62 WLPIPPWH 0.67
63 WLKIPPWH 0.68
64 WRRIPPWR 0.68
65 WRPIPPWR 0.68
66 WRKIPPWR 0.69
67 WMPFPRWH 0.71
68 WMRFPRWH 0.72
69 WMKFPRWH 0.73
70 IMPFPPWH 0.74
71 IMRFPPWH 0.75
72 IMKFPPWH 0.76
73 WMRFPKWH 0.77
74 WMPFPKWH 0.77
75 WMKFPKWH 0.78
76 WRPFPRWH 0.78
77 WRRFPRWH 0.79
78 WRKFPRWH 0.8
79 WMPIPPWH 0.8
80 WMRIPPWH 0.8
81 IRRFPPWH 0.81
82 WMKIPPWH 0.81
83 IRPFPPWH 0.81
84 ILPFPRWR 0.83
85 ILRFPRWR 0.83
86 IRKFPPWH 0.83
87 WRPFPKWH 0.84
88 WRRFPKWH 0.84
89 ILKFPRWR 0.84
90 WRKFPKWH 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WLKFPPWR

4.14

-10.68

-6.54
2 WLPIPPWR

3.84

-10.11

-6.27
3 WMKFPPWH

4.1

-10.03

-5.93
4 WLRIPPWR

3.6

-9.45

-5.85
5 WLKIPPWR

4.29

-9.56

-5.27
6 WMPFPPWH

3.77

-8.9

-5.13
7 WRKFPPWH

3.74

-8.86

-5.12
8 WLPFPRWR

3.62

-8.71

-5.09
9 WLRFPRWR

3.78

-8.66

-4.88
10 WLKFPPWH

4.07

-8.95

-4.88
11 WLKFPKWR

3.94

-8.81

-4.87
12 WMRFPPWH

3.75

-8.6

-4.85
13 ILPFPPWR

3.74

-8.46

-4.72
14 WMRFPPWR

4.83

-9.5

-4.67
15 WLRFPPWH

3.61

-8.02

-4.41
16 WLRFPKWR

3.76

-8.14

-4.38
17 WLRFPPWR

3.99

-8.27

-4.28
18 WLKFPRWR

3.7

-7.93

-4.23
19 ILRFPPWR

2.88

-7.08

-4.2
20 ILKFPPWR

3.22

-7.4

-4.18
21 WMKFPPWR

3.75

-7.87

-4.12
22 WLPFPPWR

3.77

-7.89

-4.12
23 WMPFPPWR

4.08

-8.15

-4.07
24 WRKFPPWR

4.27

-8.28

-4.01
25 WLPFPKWR

3.78

-7.68

-3.9
26 WRRFPPWH

3.58

-7.29

-3.71
27 WRPFPPWH

3.73

-7.37

-3.64
28 WRRFPPWR

3.77

-7.38

-3.61
29 WLPFPPWH

4.09

-7.62

-3.53
30 WRPFPPWR

3.91

-7.37

-3.46

 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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