Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-4.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 2.156 ΔGbinding 4.846
TOTAL
 7.002
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.906
Van der Waals -4.368 Backbone clash 0.003
Electrostatics -0.064 Helix dipole 0.000
Solvation Polar 3.997 Water bridges 0.000
Solvation Hyd -6.960 Disulfide 0.000
VdW clashes 10.460 Electrost. Kon -0.058
Entropy sc 0.903 Part.cov.bonds 0.000
Entropy mc

1.305

 ΔGstability

11.765
       

Predicted ligand sequences for model [PIN3_1ZX6-4.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_1ZX6-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 ARPFRGRPMH 0.0
2 ARPFRGRDMH 0.04
3 ARPFYGRPMH 0.05
4 ARPFKGRPMH 0.06
5 ARPFYGRDMH 0.09
6 ARPFKGRDMH 0.1
7 ARPFRGRRMH 0.11
8 ARPFYGRRMH 0.16
9 ARPFKGRRMH 0.17
10 ARPFRGRPVH 0.18
11 ARPFRGRDVH 0.22
12 ARPFYGRPVH 0.23
13 ARPFKGRPVH 0.24
14 ARPFRGRPPH 0.25
15 ARRFRGRPMH 0.25
16 ARPFYGRDVH 0.27
17 ARLFRGRPMH 0.27
18 ARPFKGRDVH 0.28
19 ARPFRGRDPH 0.29
20 ARRFRGRDMH 0.29
21 ARPFRGRRVH 0.29
22 ARRFYGRPMH 0.3
23 ARPFYGRPPH 0.3
24 ARPFKGRPPH 0.31
25 ARRFKGRPMH 0.31
26 ARLFRGRDMH 0.31
27 ARLFYGRPMH 0.32
28 ARRFYGRDMH 0.34
29 ARPFYGRDPH 0.34
30 ARLFKGRPMH 0.34
31 ARPFYGRRVH 0.34
32 ARPFKGRRVH 0.35
33 ARRFKGRDMH 0.35
34 ARPFKGRDPH 0.35
35 ARPFRGRRPH 0.36
36 ARLFYGRDMH 0.36
37 ARRFRGRRMH 0.36
38 ARLFKGRDMH 0.37
39 ARLFRGRRMH 0.39
40 ARPFRGRPMR 0.41
41 ARRFYGRRMH 0.41
42 ARPFYGRRPH 0.41
43 ARPFKGRRPH 0.42
44 ARRFKGRRMH 0.42
45 ARLFYGRRMH 0.43
46 ARRFRGRPVH 0.43
47 FRPFRGRPMH 0.43
48 ARPFRGRDMR 0.44
49 ARLFRGRPVH 0.45
50 ARLFKGRRMH 0.45
51 ARPFYGRPMR 0.46
52 FRPFRGRDMH 0.47
53 ARPFKGRPMR 0.47
54 ARRFRGRDVH 0.47
55 FRPFYGRPMH 0.48
56 ARRFYGRPVH 0.48
57 ALPFRGRPMH 0.48
58 FRPFKGRPMH 0.49
59 ARRFKGRPVH 0.49
60 ARPFYGRDMR 0.49
61 ARLFRGRDVH 0.49
62 ARLFYGRPVH 0.5
63 ARRFRGRPPH 0.5
64 ARPFKGRDMR 0.51
65 ARLFRGRPPH 0.52
66 ARRFYGRDVH 0.52
67 FRPFYGRDMH 0.52
68 ALPFRGRDMH 0.52
69 ARPFRGRRMR 0.52
70 ARLFKGRPVH 0.52
71 FRPFKGRDMH 0.53
72 ARRFKGRDVH 0.53
73 ALPFYGRPMH 0.53
74 ARRFRGRRVH 0.54
75 ALPFKGRPMH 0.54
76 ARRFRGRDPH 0.54
77 ARLFYGRDVH 0.54
78 FRPFRGRRMH 0.54
79 ARLFKGRDVH 0.55
80 ARRFYGRPPH 0.55
81 ARRFKGRPPH 0.56
82 ARLFRGRDPH 0.56
83 ARLFRGRRVH 0.56
84 ALPFYGRDMH 0.57
85 ARLFYGRPPH 0.57
86 ARPFYGRRMR 0.57
87 ARLFKGRPPH 0.58
88 ARPFRGRPVR 0.58
89 ALPFKGRDMH 0.58
90 ARPFKGRRMR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ARPFYGRDMH

1.95

-10.57

-8.62
2 ARPFKGRPVH

1.83

-10.4

-8.57
3 ARLFRGRDMH

2.22

-10.79

-8.57
4 ARRFRGRPMH

1.88

-10.38

-8.5
5 ARLFYGRPMH

1.3

-9.8

-8.5
6 ARPFRGRPVH

1.2

-9.24

-8.04
7 ARRFYGRPMH

2.07

-9.78

-7.71
8 ARRFKGRPMH

1.5

-9.11

-7.61
9 ARLFRGRPMH

2.08

-9.61

-7.53
10 ARPFRGRRVH

1.76

-9.09

-7.33
11 ARLFKGRPMH

1.61

-8.74

-7.13
12 ARRFRGRDMH

2.0

-8.86

-6.86
13 ARRFYGRDMH

1.52

-8.26

-6.74
14 ARPFKGRPMH

1.56

-8.29

-6.73
15 ARPFYGRDVH

1.49

-8.12

-6.63
16 ARPFYGRPPH

1.86

-8.35

-6.49
17 ARPFYGRPVH

1.71

-8.07

-6.36
18 ARPFRGRPMH

1.87

-8.17

-6.3
19 ARPFYGRRMH

1.61

-7.79

-6.18
20 ARPFKGRDMH

2.57

-8.73

-6.16
21 ARPFYGRPMH

2.07

-8.16

-6.09
22 ARPFKGRDVH

1.43

-7.39

-5.96
23 ARPFRGRRMH

1.72

-7.67

-5.95
24 ARPFYGRDPH

1.79

-7.71

-5.92
25 ARPFKGRRMH

1.76

-7.47

-5.71
26 ARPFRGRDMH

1.6

-7.31

-5.71
27 ARPFRGRPPH

1.59

-7.25

-5.66
28 ARPFRGRDVH

2.03

-6.97

-4.94
29 ARPFKGRPPH

1.67

-6.25

-4.58
30 ARPFRGRDPH

1.69

-5.65

-3.96

 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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