Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKB-8.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
 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 2.604 ΔGbinding -1.651
TOTAL
 0.953
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.802
Van der Waals -4.122 Backbone clash 0.031
Electrostatics 0.152 Helix dipole 0.000
Solvation Polar 4.317 Water bridges -0.105
Solvation Hyd -5.495 Disulfide 0.000
VdW clashes 0.991 Electrost. Kon 0.164
Entropy sc 0.717 Part.cov.bonds 0.000
Entropy mc

2.202

 ΔGstability

32.281
       

Predicted ligand sequences for model [PIN3_1CKB-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMKFLPPF 0.0
2 DMKFLPPF 0.02
3 FMKFLPPF 0.02
4 RMKFLPEF 0.04
5 FMKFLPEF 0.06
6 DMKFLPEF 0.06
7 RMKFLPGF 0.14
8 DMKFLPGF 0.16
9 FMKFLPGF 0.16
10 RMPFLPPF 0.17
11 RMKPLPPF 0.17
12 DMPFLPPF 0.19
13 FMPFLPPF 0.19
14 DMKPLPPF 0.19
15 FMKPLPPF 0.19
16 RMPFLPEF 0.21
17 RMKPLPEF 0.21
18 FMPFLPEF 0.23
19 DMPFLPEF 0.23
20 DMKPLPEF 0.23
21 FMKPLPEF 0.23
22 RRKFLPPF 0.24
23 DRKFLPPF 0.26
24 FRKFLPPF 0.26
25 RKKFLPPF 0.27
26 RMKYLPPF 0.28
27 RRKFLPEF 0.28
28 DKKFLPPF 0.29
29 FKKFLPPF 0.29
30 FMKYLPPF 0.29
31 FRKFLPEF 0.3
32 DRKFLPEF 0.3
33 DMKYLPPF 0.3
34 RMKPLPGF 0.31
35 RKKFLPEF 0.31
36 RMPFLPGF 0.32
37 RMKYLPEF 0.32
38 FKKFLPEF 0.33
39 DMKPLPGF 0.33
40 FMKPLPGF 0.33
41 DKKFLPEF 0.33
42 FMPFLPGF 0.33
43 FMKYLPEF 0.33
44 DMPFLPGF 0.33
45 DMKYLPEF 0.34
46 RMKFMPPF 0.34
47 RMPPLPPF 0.35
48 DMKFMPPF 0.36
49 FMKFMPPF 0.36
50 FMPPLPPF 0.36
51 DMPPLPPF 0.37
52 RMKFMPEF 0.38
53 RRKFLPGF 0.38
54 RMPPLPEF 0.39
55 FMPPLPEF 0.4
56 DMKFMPEF 0.4
57 FMKFMPEF 0.4
58 FRKFLPGF 0.4
59 DRKFLPGF 0.4
60 DMPPLPEF 0.41
61 RMKYLPGF 0.42
62 RKKFLPGF 0.42
63 RRKPLPPF 0.42
64 RRPFLPPF 0.42
65 DKKFLPGF 0.43
66 DRKPLPPF 0.43
67 FMKYLPGF 0.43
68 FRKPLPPF 0.43
69 FRPFLPPF 0.43
70 FKKFLPGF 0.43
71 DRPFLPPF 0.43
72 DMKYLPGF 0.44
73 RMKFIPPF 0.45
74 RMPYLPPF 0.45
75 RKKPLPPF 0.45
76 RKPFLPPF 0.45
77 DMKFIPPF 0.46
78 FMKFIPPF 0.46
79 FKKPLPPF 0.46
80 RRPFLPEF 0.46
81 RRKPLPEF 0.46
82 FRPFLPEF 0.47
83 DRKPLPEF 0.47
84 FRKPLPEF 0.47
85 DMPYLPPF 0.47
86 DKPFLPPF 0.47
87 FKPFLPPF 0.47
88 DRPFLPEF 0.47
89 FMPYLPPF 0.47
90 DKKPLPPF 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMPFLPEF

2.51

-10.84

-8.33
2 DMKPLPEF

2.57

-9.63

-7.06
3 DMPFLPPF

2.59

-9.4

-6.81
4 DMKFLPEF

3.02

-9.25

-6.23
5 DMPFLPEF

3.59

-9.76

-6.17
6 FMPFLPPF

3.06

-9.08

-6.02
7 FMKPLPPF

3.57

-9.48

-5.91
8 DMKFLPPF

2.9

-8.57

-5.67
9 RRKFLPPF

3.5

-9.1

-5.6
10 RMKPLPEF

4.24

-9.8

-5.56
11 FMKPLPEF

4.23

-9.54

-5.31
12 RMKPLPPF

4.1

-9.36

-5.26
13 RMKFLPGF

3.73

-8.97

-5.24
14 RMKFLPEF

3.75

-8.94

-5.19
15 FMPFLPEF

3.94

-8.96

-5.02
16 FMKFLPEF

3.63

-8.56

-4.93
17 FMKFLPGF

3.68

-8.6

-4.92
18 DKKFLPPF

3.64

-8.52

-4.88
19 DMKFLPGF

3.94

-8.78

-4.84
20 RMKFLPPF

3.56

-7.94

-4.38
21 RMPFLPPF

3.99

-8.22

-4.23
22 FRKFLPPF

3.49

-7.63

-4.14
23 FMKFLPPF

4.23

-8.0

-3.77
24 FMKYLPPF

4.13

-7.81

-3.68
25 DRKFLPPF

3.9

-7.41

-3.51
26 RRKFLPEF

5.72

-9.07

-3.35
27 DMKPLPPF

4.66

-8.0

-3.34
28 RMKYLPPF

3.78

-7.03

-3.25
29 RKKFLPPF

4.05

-7.0

-2.95
30 FKKFLPPF

4.27

-6.76

-2.49

 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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