Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-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 2.427 ΔGbinding 3.540
TOTAL
 5.967
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.672
Van der Waals -3.171 Backbone clash 0.000
Electrostatics 0.220 Helix dipole 0.000
Solvation Polar 3.111 Water bridges -0.006
Solvation Hyd -4.479 Disulfide 0.000
VdW clashes 4.638 Electrost. Kon 0.261
Entropy sc 0.102 Part.cov.bonds 0.000
Entropy mc

2.192

 ΔGstability

11.917
       

Predicted ligand sequences for model [PIN3_1YNZ-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_1YNZ-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRPPMGKW 0.0
2 RRPPMGKW 0.02
3 KRPPMGKW 0.06
4 HRRPMGKW 0.08
5 RRRPMGKW 0.09
6 KRRPMGKW 0.14
7 HRDPMGKW 0.14
8 RRDPMGKW 0.16
9 KRDPMGKW 0.2
10 HRPPMGNW 0.25
11 RRPPMGNW 0.27
12 HRPPEGKW 0.3
13 HRPKMGKW 0.31
14 KRPPMGNW 0.31
15 RRPPEGKW 0.32
16 RRPKMGKW 0.33
17 HRRPMGNW 0.33
18 HRPRMGKW 0.34
19 HRPPRGKW 0.34
20 RRPRMGKW 0.35
21 RRRPMGNW 0.35
22 RRPPRGKW 0.36
23 KRPPEGKW 0.36
24 KRPKMGKW 0.37
25 HRRPEGKW 0.38
26 RRRPEGKW 0.39
27 HRDPMGNW 0.39
28 HRRKMGKW 0.39
29 KRRPMGNW 0.39
30 RRRKMGKW 0.4
31 KRPRMGKW 0.4
32 KRPPRGKW 0.4
33 RRDPMGNW 0.41
34 HRRRMGKW 0.42
35 HRPPMGKF 0.42
36 HRRPRGKW 0.42
37 KRRPEGKW 0.43
38 RRRRMGKW 0.43
39 HRDPEGKW 0.44
40 RRPPMGKF 0.44
41 RRRPRGKW 0.44
42 HRDKMGKW 0.45
43 KRDPMGNW 0.45
44 KRRKMGKW 0.45
45 RRDPEGKW 0.46
46 KRRRMGKW 0.47
47 RRDKMGKW 0.47
48 KRRPRGKW 0.48
49 HRDPRGKW 0.48
50 KRPPMGKF 0.48
51 HRDRMGKW 0.48
52 RRDRMGKW 0.49
53 KRDPEGKW 0.5
54 RRDPRGKW 0.5
55 HRRPMGKF 0.5
56 KRDKMGKW 0.51
57 RRRPMGKF 0.52
58 KRDRMGKW 0.54
59 KRDPRGKW 0.54
60 HRPPEGNW 0.55
61 HRDPMGKF 0.56
62 KRRPMGKF 0.56
63 HRPKMGNW 0.56
64 RRPPEGNW 0.57
65 RRDPMGKF 0.58
66 RRPKMGNW 0.58
67 HRPRMGNW 0.59
68 HRPPRGNW 0.6
69 KRPPEGNW 0.61
70 HRPKEGKW 0.61
71 RRPPRGNW 0.61
72 RRPRMGNW 0.61
73 RRPKEGKW 0.62
74 KRPKMGNW 0.62
75 KRDPMGKF 0.62
76 HRRPEGNW 0.63
77 HRPREGKW 0.64
78 HRRKMGNW 0.64
79 RRRPEGNW 0.65
80 RRPREGKW 0.65
81 KRPRMGNW 0.65
82 HRPKRGKW 0.65
83 KRPPRGNW 0.65
84 RRRKMGNW 0.66
85 HRRPRGNW 0.67
86 KRPKEGKW 0.67
87 RRPKRGKW 0.67
88 HRRRMGNW 0.67
89 HRPPMGNF 0.68
90 RRRRMGNW 0.68
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPPMGKW

2.16

-5.59

-3.43
2 RRPKMGKW

2.07

-5.33

-3.26
3 RRPPMGNW

2.31

-5.32

-3.01
4 HRPRMGKW

2.39

-5.36

-2.97
5 RRPRMGKW

3.03

-5.95

-2.92
6 KRPKMGKW

2.28

-5.18

-2.9
7 KRPPMGNW

2.32

-5.19

-2.87
8 KRPPMGKW

2.38

-5.21

-2.83
9 HRPPMGKW

2.72

-5.42

-2.7
10 HRPKMGKW

2.47

-5.09

-2.62
11 HRPPRGKW

2.22

-4.77

-2.55
12 RRPPRGKW

2.47

-4.88

-2.41
13 HRPPMGNW

2.44

-4.84

-2.4
14 RRRKMGKW

2.69

-4.8

-2.11
15 KRPPEGKW

3.04

-4.94

-1.9
16 HRRKMGKW

2.43

-4.19

-1.76
17 RRRPMGKW

2.86

-4.62

-1.76
18 HRDPMGKW

2.55

-3.97

-1.42
19 HRRPMGKW

2.49

-3.9

-1.41
20 RRRPMGNW

2.48

-3.84

-1.36
21 HRPPEGKW

2.36

-3.68

-1.32
22 KRDPMGKW

3.0

-4.3

-1.3
23 HRRPEGKW

3.49

-4.78

-1.29
24 RRDPMGKW

2.74

-3.97

-1.23
25 RRPPEGKW

2.41

-3.63

-1.22
26 KRRPMGKW

2.75

-3.94

-1.19
27 HRRPMGNW

2.55

-3.65

-1.1
28 KRRPMGNW

2.68

-3.69

-1.01
29 RRRPEGKW

3.44

-4.35

-0.91
30 HRDPMGNW

2.67

-3.49

-0.82

 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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