Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-29.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 1.458 ΔGbinding -2.817
TOTAL
 -1.359
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.402
Van der Waals -3.617 Backbone clash 0.000
Electrostatics 0.009 Helix dipole 0.000
Solvation Polar 3.685 Water bridges 0.000
Solvation Hyd -4.806 Disulfide 0.000
VdW clashes 0.054 Electrost. Kon -0.015
Entropy sc 0.410 Part.cov.bonds 0.000
Entropy mc

2.337

 ΔGstability

36.371
       

Predicted ligand sequences for model [RVS167_FYN-SSH-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPPIYKFMR 0.0
2 HYPPIYKFMH 0.01
3 HYPPIYRFMR 0.03
4 HYPPIYRFMH 0.04
5 HYPPIYPFMR 0.05
6 HYPPIYPFMH 0.06
7 DYPPIYKFMH 0.11
8 DYPPIYKFMR 0.11
9 HYPPFYKFMH 0.12
10 HYPPFYKFMR 0.12
11 HHPPIYKFMR 0.13
12 HHPPIYKFMH 0.14
13 DYPPIYRFMR 0.14
14 DYPPIYRFMH 0.14
15 HYPPIFKFMR 0.14
16 HYPPIFKFMH 0.14
17 HYPPFYRFMR 0.15
18 DYPPIYPFMR 0.16
19 DYPPIYPFMH 0.16
20 HYPPFYRFMH 0.16
21 HYPMIYKFMR 0.16
22 HHPPIYRFMR 0.17
23 HHPPIYRFMH 0.17
24 HYPPFYPFMR 0.17
25 HYPPIFRFMH 0.17
26 HYPPIFRFMR 0.17
27 HYPMIYKFMH 0.17
28 HYPPFYPFMH 0.18
29 HHPPIYPFMH 0.19
30 HHPPIYPFMR 0.19
31 HYPMIYRFMR 0.19
32 HYPPIFPFMR 0.19
33 HYPWIYKFMR 0.19
34 HYPMIYRFMH 0.2
35 HYPPIFPFMH 0.2
36 HYPWIYKFMH 0.2
37 FYPPIYKFMR 0.21
38 HYPMIYPFMR 0.21
39 DYPPFYKFMR 0.22
40 FYPPIYKFMH 0.22
41 HYPWIYRFMR 0.22
42 HYPMIYPFMH 0.22
43 DYPPFYKFMH 0.23
44 HYPWIYRFMH 0.23
45 DYPPIFKFMR 0.24
46 FYPPIYRFMR 0.24
47 HYPWIYPFMR 0.24
48 DHPPIYKFMR 0.24
49 DYPPIFKFMH 0.25
50 FYPPIYRFMH 0.25
51 HHPPFYKFMR 0.25
52 HYPWIYPFMH 0.25
53 DHPPIYKFMH 0.25
54 HHPPFYKFMH 0.26
55 FYPPIYPFMR 0.26
56 DYPPFYRFMH 0.26
57 DYPPFYRFMR 0.26
58 HYPPFFKFMR 0.26
59 HYPPFFKFMH 0.26
60 HHPPIFKFMR 0.27
61 DYPMIYKFMH 0.27
62 DYPMIYKFMR 0.27
63 DHPPIYRFMR 0.27
64 DYPPIFRFMR 0.27
65 FYPPIYPFMH 0.27
66 HHPPIFKFMH 0.28
67 DHPPIYRFMH 0.28
68 DYPPIFRFMH 0.28
69 DYPPFYPFMR 0.28
70 DYPPFYPFMH 0.28
71 HHPPFYRFMR 0.28
72 HYPMFYKFMR 0.28
73 HYPMFYKFMH 0.29
74 DYPWIYKFMR 0.29
75 HYPPFFRFMH 0.29
76 HYPPFFRFMR 0.29
77 HHPPFYRFMH 0.29
78 DYPPIFPFMR 0.29
79 DHPPIYPFMR 0.29
80 HYPPIYKFMK 0.29
81 HHPMIYKFMR 0.3
82 DYPMIYRFMH 0.3
83 DYPMIYRFMR 0.3
84 DYPWIYKFMH 0.3
85 HYPMIFKFMR 0.3
86 HYPMIFKFMH 0.3
87 HHPPIFRFMR 0.3
88 HHPPFYPFMR 0.3
89 DYPPIFPFMH 0.3
90 DHPPIYPFMH 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HYPPIYKFMH

3.42

-15.95

-12.53
2 DYPPIYPFMR

3.65

-15.73

-12.08
3 HYPPIYRFMR

3.32

-15.33

-12.01
4 DYPPIYRFMR

3.5

-15.4

-11.9
5 HYPPFYPFMH

3.28

-15.13

-11.85
6 HYPPIYRFMH

3.28

-14.92

-11.64
7 HYPMIYKFMR

3.5

-15.11

-11.61
8 DYPPIYRFMH

3.53

-15.01

-11.48
9 DYPPIYKFMR

3.35

-14.77

-11.42
10 DYPPIYKFMH

3.7

-15.11

-11.41
11 HYPMIYKFMH

3.36

-14.75

-11.39
12 DYPPIYPFMH

3.85

-15.19

-11.34
13 HYPPFYRFMR

3.23

-14.52

-11.29
14 HYPPIYKFMR

3.6

-14.88

-11.28
15 HYPPIYPFMH

3.45

-14.73

-11.28
16 HYPPIYPFMR

3.5

-14.78

-11.28
17 HYPPIFKFMR

3.44

-14.64

-11.2
18 HYPPFYKFMH

3.62

-14.62

-11.0
19 HYPPFYPFMR

3.6

-14.49

-10.89
20 HYPPIFRFMH

3.32

-14.2

-10.88
21 HYPPFYRFMH

3.24

-14.05

-10.81
22 HYPPIFRFMR

3.52

-14.29

-10.77
23 HYPPIFKFMH

3.66

-14.32

-10.66
24 HYPPFYKFMR

3.73

-14.14

-10.41
25 HHPPIYRFMR

4.05

-14.21

-10.16
26 HHPPIYPFMH

3.52

-13.65

-10.13
27 HHPPIYRFMH

3.57

-13.56

-9.99
28 HHPPIYPFMR

3.89

-13.68

-9.79
29 HHPPIYKFMR

3.77

-13.45

-9.68
30 HHPPIYKFMH

4.32

-13.09

-8.77

 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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