Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-12.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 0.460 ΔGbinding -1.376
TOTAL
 -0.916
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.254
Van der Waals -1.536 Backbone clash 0.000
Electrostatics 0.035 Helix dipole 0.000
Solvation Polar 1.863 Water bridges 0.000
Solvation Hyd -2.093 Disulfide 0.000
VdW clashes 0.003 Electrost. Kon 0.025
Entropy sc 0.367 Part.cov.bonds 0.000
Entropy mc

0.979

 ΔGstability

30.412
       

Predicted ligand sequences for model [RVS167_FYN-SSH-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKFRRWRR 0.0
2 RRFRRWRR 0.01
3 RKFRRWWR 0.04
4 RRFRRWWR 0.06
5 RKFRPWRR 0.11
6 RRFRPWRR 0.12
7 RKFRPWWR 0.15
8 RKMRRWRR 0.16
9 RRFRPWWR 0.17
10 RRMRRWRR 0.17
11 RKMRRWWR 0.2
12 RKFRRWRK 0.21
13 RRMRRWWR 0.21
14 RRFRRWRK 0.23
15 RKFRRWWK 0.25
16 RKMRPWRR 0.26
17 RRFRRWWK 0.27
18 RRMRPWRR 0.28
19 RKFREWRR 0.29
20 RRFREWRR 0.3
21 RKMRPWWR 0.31
22 RKFRPWRK 0.32
23 RRMRPWWR 0.32
24 RRFRPWRK 0.33
25 RKFREWWR 0.33
26 RRFREWWR 0.34
27 RKFRPWWK 0.36
28 RKMRRWRK 0.37
29 RRFRPWWK 0.38
30 RKFRRWRH 0.38
31 RRMRRWRK 0.38
32 RRFRRWRH 0.4
33 RKMRRWWK 0.41
34 RRMRRWWK 0.42
35 RKFRRWWH 0.42
36 RKMREWRR 0.44
37 RRFRRWWH 0.44
38 RRMREWRR 0.46
39 REFRRWRR 0.48
40 RKMREWWR 0.48
41 RKMRPWRK 0.48
42 RKFRRWYR 0.48
43 RKFRPWRH 0.49
44 RRFRRWYR 0.49
45 RRMRPWRK 0.49
46 RKFREWRK 0.5
47 RRMREWWR 0.5
48 FKFRRWRR 0.5
49 RRFREWRK 0.51
50 RRFRPWRH 0.51
51 FRFRRWRR 0.51
52 REFRRWWR 0.52
53 RKMRPWWK 0.52
54 RRMRPWWK 0.53
55 RKFRPWWH 0.53
56 RKMRRWRH 0.54
57 FKFRRWWR 0.54
58 RKFREWWK 0.54
59 RRFRPWWH 0.55
60 RRFREWWK 0.55
61 FRFRRWWR 0.55
62 RRMRRWRH 0.55
63 RKMRRWWH 0.58
64 RKFRPWYR 0.58
65 RRMRRWWH 0.59
66 REFRPWRR 0.59
67 FKFRPWRR 0.6
68 RRFRPWYR 0.6
69 FRFRPWRR 0.62
70 RKMRRWYR 0.63
71 REFRPWWR 0.63
72 REMRRWRR 0.64
73 RRMRRWYR 0.65
74 RKMRPWRH 0.65
75 FKMRRWRR 0.65
76 FKFRPWWR 0.65
77 RKMREWRK 0.65
78 RRMRPWRH 0.66
79 FRFRPWWR 0.66
80 FRMRRWRR 0.67
81 RKFREWRH 0.67
82 RRMREWRK 0.67
83 REMRRWWR 0.68
84 RRFREWRH 0.68
85 REFRRWRK 0.69
86 RKMRPWWH 0.69
87 RKFRRWYK 0.69
88 RKMREWWK 0.7
89 FKMRRWWR 0.7
90 RRMRPWWH 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKMRPWRR

2.23

-10.57

-8.34
2 RKMRRWRK

1.95

-10.02

-8.07
3 RKMRRWRR

2.03

-9.1

-7.07
4 RKFRRWRH

2.62

-9.44

-6.82
5 RRMRRWRR

2.31

-9.03

-6.72
6 RRMRPWRR

2.11

-8.61

-6.5
7 RRFREWRR

2.46

-8.58

-6.12
8 RRFRRWRK

2.53

-8.45

-5.92
9 RKFRPWRR

2.35

-8.15

-5.8
10 RKFRRWRK

2.31

-8.02

-5.71
11 RRFRPWRK

2.55

-8.22

-5.67
12 RRMRPWWR

2.26

-7.9

-5.64
13 RKMRPWWR

2.21

-7.71

-5.5
14 RKFREWRR

2.33

-7.66

-5.33
15 RKFRRWRR

2.65

-7.97

-5.32
16 RRMRRWWR

2.1

-7.42

-5.32
17 RKFRPWRK

2.4

-7.55

-5.15
18 RRFRPWRR

2.39

-7.53

-5.14
19 RKFRPWWR

2.42

-7.22

-4.8
20 RKFRPWWK

2.24

-6.92

-4.68
21 RRFREWWR

2.51

-7.17

-4.66
22 RKFREWWR

2.26

-6.86

-4.6
23 RKFRRWWR

2.47

-7.07

-4.6
24 RRFRPWWR

2.41

-7.0

-4.59
25 RRFRPWWK

2.43

-6.92

-4.49
26 RRFRRWRR

2.37

-6.84

-4.47
27 RKFRRWWK

2.38

-6.84

-4.46
28 RRFRRWWR

2.42

-6.85

-4.43
29 RKMRRWWR

2.37

-6.68

-4.31
30 RRFRRWWK

2.81

-6.97

-4.16

 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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