Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-25.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
poly-Ala 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 0.783 ΔGbinding -1.308
TOTAL
 -0.525
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.464
Van der Waals -3.886 Backbone clash 0.008
Electrostatics 0.197 Helix dipole 0.000
Solvation Polar 4.565 Water bridges -0.026
Solvation Hyd -4.953 Disulfide 0.000
VdW clashes 0.087 Electrost. Kon 0.234
Entropy sc 0.911 Part.cov.bonds 0.000
Entropy mc

3.649

 ΔGstability

31.878
       

Predicted ligand sequences for model [RVS167_FYN-SSH-25.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).
 
  RVS167_FYN-SSH-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYPRKPYLN 0.0
2 RYPRKPRLN 0.13
3 RYPRIPYLN 0.15
4 RYPRMPYLN 0.17
5 HYPRKPYLN 0.18
6 KYPRKPYLN 0.2
7 RYPRKPPLN 0.23
8 RYPRIPRLN 0.28
9 RYPRMPRLN 0.3
10 HYPRKPRLN 0.31
11 HYPRIPYLN 0.32
12 RYPRKPYLM 0.33
13 KYPRKPRLN 0.33
14 HYPRMPYLN 0.35
15 KYPRIPYLN 0.35
16 RYKRKPYLN 0.35
17 RYPRKPYLF 0.36
18 RYPRIPPLN 0.38
19 KYPRMPYLN 0.38
20 HYPRKPPLN 0.41
21 RYPRMPPLN 0.41
22 RYPPKPYLN 0.42
23 KYPRKPPLN 0.43
24 HYPRIPRLN 0.45
25 RYPRKPRLM 0.46
26 RYKRKPRLN 0.47
27 RRPRKPYLN 0.48
28 KYPRIPRLN 0.48
29 RYPRIPYLM 0.48
30 HYPRMPRLN 0.48
31 RYKRIPYLN 0.49
32 RYPRKPRLF 0.49
33 HYPRKPYLM 0.51
34 RYPRIPYLF 0.51
35 RYPRMPYLM 0.51
36 KYPRMPRLN 0.51
37 HYKRKPYLN 0.52
38 RYKRMPYLN 0.52
39 HYPRKPYLF 0.54
40 KYPRKPYLM 0.54
41 RYPRMPYLF 0.54
42 RYPPKPRLN 0.55
43 HYPRIPPLN 0.55
44 KYKRKPYLN 0.55
45 RYPRKPPLM 0.56
46 RYPPIPYLN 0.57
47 KYPRKPYLF 0.57
48 KYPRIPPLN 0.58
49 HYPRMPPLN 0.58
50 RYKRKPPLN 0.58
51 RYPRKPPLF 0.59
52 RYPPMPYLN 0.6
53 HYPPKPYLN 0.6
54 RYPRIPRLM 0.61
55 RRPRKPRLN 0.61
56 KYPRMPPLN 0.61
57 RYKRIPRLN 0.62
58 KYPPKPYLN 0.63
59 RRPRIPYLN 0.63
60 RYPRIPRLF 0.64
61 RYPRMPRLM 0.64
62 HYPRKPRLM 0.64
63 RYPPKPPLN 0.65
64 RYKRMPRLN 0.65
65 HYKRKPRLN 0.65
66 RRPRMPYLN 0.66
67 HYPRIPYLM 0.66
68 HRPRKPYLN 0.66
69 KYPRKPRLM 0.67
70 HYKRIPYLN 0.67
71 RYPRMPRLF 0.67
72 HYPRKPRLF 0.67
73 KYPRIPYLM 0.68
74 KYKRKPRLN 0.68
75 KRPRKPYLN 0.68
76 RYKRKPYLM 0.68
77 HYPRMPYLM 0.69
78 HYPRIPYLF 0.69
79 KYPRKPRLF 0.7
80 HYKRMPYLN 0.7
81 RYPPIPRLN 0.7
82 KYKRIPYLN 0.7
83 RYPRIPPLM 0.71
84 KYPRMPYLM 0.71
85 RRPRKPPLN 0.71
86 KYPRIPYLF 0.71
87 RYKRKPYLF 0.71
88 HYPRMPYLF 0.72
89 RYKRIPPLN 0.72
90 KYKRMPYLN 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RYPRMPRLN

3.3

-13.94

-10.64
2 KYPRIPYLN

2.85

-13.38

-10.53
3 RYPRIPRLN

2.91

-13.38

-10.47
4 RYPRKPRLN

3.12

-13.52

-10.4
5 RYPRKPRLM

2.89

-13.23

-10.34
6 KYPRKPPLN

3.14

-13.08

-9.94
7 HYPRMPRLN

3.12

-12.69

-9.57
8 HYPRIPRLN

2.78

-11.8

-9.02
9 RYPRIPYLM

2.85

-11.62

-8.77
10 HYPRKPRLN

3.5

-12.26

-8.76
11 RYPPKPYLN

3.1

-11.72

-8.62
12 HYPRMPYLN

3.1

-11.67

-8.57
13 RYPRMPPLN

3.01

-11.57

-8.56
14 KYPRIPRLN

2.83

-11.34

-8.51
15 KYPRKPRLN

3.26

-11.73

-8.47
16 KYPRMPYLN

3.02

-11.44

-8.42
17 RYPRMPYLN

2.95

-11.29

-8.34
18 RYPRIPPLN

2.96

-11.17

-8.21
19 HYPRKPPLN

3.04

-11.25

-8.21
20 RYPRKPYLM

2.92

-11.12

-8.2
21 RYPRKPYLF

2.92

-11.08

-8.16
22 RRPRKPYLN

3.12

-11.22

-8.1
23 KYPRKPYLN

3.26

-11.36

-8.1
24 HYPRKPYLN

3.13

-11.15

-8.02
25 RYPRIPYLN

2.72

-10.71

-7.99
26 HYPRIPYLN

3.14

-10.99

-7.85
27 RYPRKPPLN

3.32

-10.93

-7.61
28 RYPRKPYLN

3.17

-10.53

-7.36
29 RYKRKPYLN

3.4

-10.57

-7.17
30 RYKRKPRLN

3.31

-10.03

-6.72

 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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