Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-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 2.675 ΔGbinding -0.775
TOTAL
 1.900
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.547
Van der Waals -2.996 Backbone clash 0.000
Electrostatics -0.002 Helix dipole 0.000
Solvation Polar 2.855 Water bridges -0.004
Solvation Hyd -4.119 Disulfide 0.000
VdW clashes 0.890 Electrost. Kon -0.011
Entropy sc 0.393 Part.cov.bonds 0.000
Entropy mc

2.948

 ΔGstability

30.766
       

Predicted ligand sequences for model [RVS167_FMK-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_FMK-SSH-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPPIRPMMR 0.0
2 HYPPIRKMMR 0.01
3 HYPPIRPMMH 0.01
4 HYPPIRKMMH 0.02
5 HYPPIRRMMR 0.05
6 HYPPIYPMMR 0.06
7 HYPPIRRMMH 0.06
8 HYPPIYPMMH 0.07
9 DYPPIRPMMR 0.07
10 DYPPIRKMMR 0.08
11 DYPPIRPMMH 0.08
12 HYPPIYKMMR 0.08
13 HYPWIRPMMR 0.09
14 HYPPIYKMMH 0.09
15 HYPWIRPMMH 0.1
16 HYPWIRKMMR 0.1
17 DYPPIRKMMH 0.1
18 HYPPIYRMMR 0.11
19 HYPWIRKMMH 0.11
20 HYPMIRPMMR 0.11
21 HYPMIRKMMR 0.12
22 DYPPIRRMMR 0.12
23 HYPPIYRMMH 0.12
24 HYPMIRPMMH 0.12
25 HYPMIRKMMH 0.13
26 DYPPIRRMMH 0.13
27 DYPPIYPMMR 0.14
28 HYPWIRRMMR 0.14
29 DYPPIYPMMH 0.15
30 HYPWIRRMMH 0.15
31 HYPWIYPMMR 0.15
32 DYPPIYKMMR 0.15
33 HYPMIRRMMR 0.15
34 DYPWIRPMMR 0.16
35 DYPPIYKMMH 0.16
36 HYPMIRRMMH 0.16
37 DYPWIRKMMR 0.17
38 HYPWIYPMMH 0.17
39 HYPMIYPMMR 0.17
40 DYPWIRPMMH 0.17
41 HYPWIYKMMR 0.17
42 HYKPIRPMMR 0.17
43 HYKPIRKMMR 0.18
44 DYPPIYRMMR 0.18
45 HYPMIYPMMH 0.18
46 HYPWIYKMMH 0.18
47 HYKPIRPMMH 0.18
48 HYPMIYKMMR 0.18
49 DYPMIRPMMR 0.18
50 HYKPIRKMMH 0.19
51 DYPWIRKMMH 0.19
52 DYPPIYRMMH 0.19
53 DYPMIRKMMR 0.19
54 HYPMIYKMMH 0.19
55 DYPMIRPMMH 0.19
56 DYPMIRKMMH 0.2
57 HYPPIRPMRR 0.2
58 FYPPIRPMMR 0.2
59 HYPWIYRMMR 0.2
60 DYPWIRRMMR 0.21
61 FYPPIRPMMH 0.21
62 HYPPIRPMRH 0.21
63 HYPWIYRMMH 0.21
64 DYPWIRRMMH 0.22
65 HYKPIRRMMR 0.22
66 FYPPIRKMMR 0.22
67 HYPPIRKMRR 0.22
68 HYPMIYRMMR 0.22
69 HYKPIRRMMH 0.23
70 FYPPIRKMMH 0.23
71 HYPPIRKMRH 0.23
72 HYPMIYRMMH 0.23
73 DYPWIYPMMR 0.23
74 HYKPIYPMMR 0.23
75 DYPMIRRMMR 0.23
76 DYPWIYKMMR 0.24
77 DYPMIYPMMR 0.24
78 DYPWIYPMMH 0.24
79 DYPMIRRMMH 0.24
80 DYKPIRPMMR 0.24
81 DYPWIYKMMH 0.25
82 HYPPIRRMRR 0.25
83 HYKPIYKMMR 0.25
84 FYPPIRRMMR 0.25
85 HYKPIYPMMH 0.25
86 DYKPIRPMMH 0.25
87 HYPPIRRMRH 0.26
88 FYPPIRRMMH 0.26
89 DYPMIYPMMH 0.26
90 HYKPIYKMMH 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DYPPIRKMMH

2.25

-12.02

-9.77
2 DYPPIRPMMR

2.22

-11.85

-9.63
3 HYPPIYRMMR

1.93

-11.5

-9.57
4 DYPPIRKMMR

2.35

-11.77

-9.42
5 HYPPIYKMMR

2.21

-11.55

-9.34
6 DYPPIRRMMH

2.39

-11.67

-9.28
7 HYPPIRPMMH

2.22

-11.41

-9.19
8 HYPPIYKMMH

1.89

-11.02

-9.13
9 HYPPIYPMMH

2.21

-11.32

-9.11
10 DYPPIYPMMR

3.14

-12.14

-9.0
11 HYPPIRRMMR

2.62

-11.6

-8.98
12 HYPPIRPMMR

2.55

-11.49

-8.94
13 HYPWIRPMMH

2.06

-11.0

-8.94
14 DYPPIYPMMH

2.59

-11.53

-8.94
15 DYPPIRRMMR

2.46

-11.38

-8.92
16 HYPWIRRMMR

1.94

-10.85

-8.91
17 HYPWIRKMMR

1.99

-10.83

-8.84
18 HYPPIYRMMH

2.53

-11.36

-8.83
19 HYPPIYPMMR

2.81

-11.61

-8.8
20 HYPPIRKMMR

2.24

-10.96

-8.72
21 HYPMIRPMMH

2.38

-11.04

-8.66
22 HYPPIRKMMH

2.26

-10.9

-8.64
23 HYPPIRRMMH

2.7

-11.25

-8.55
24 DYPPIRPMMH

3.49

-11.99

-8.5
25 HYPWIRRMMH

2.61

-11.05

-8.44
26 HYPWIRKMMH

2.45

-10.84

-8.39
27 HYPWIRPMMR

2.48

-10.8

-8.32
28 HYPMIRPMMR

2.42

-10.63

-8.21
29 HYPMIRKMMH

2.34

-10.51

-8.17
30 HYPMIRKMMR

2.56

-10.08

-7.52

 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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