Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 0.869 ΔGbinding -0.937
TOTAL
 -0.068
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.578
Van der Waals -2.266 Backbone clash 0.202
Electrostatics -0.132 Helix dipole 0.000
Solvation Polar 2.632 Water bridges -0.128
Solvation Hyd -3.221 Disulfide 0.000
VdW clashes 0.005 Electrost. Kon -0.202
Entropy sc 0.179 Part.cov.bonds 0.000
Entropy mc

1.619

 ΔGstability

52.400
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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).
 
  SLA1-D3_UJ0-CSK-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWWRPRFR 0.0
2 RWWRPRFK 0.02
3 RWWRHRFR 0.07
4 RWWRHRFK 0.08
5 RWWRRRFR 0.12
6 RWWRKRFR 0.13
7 RWWRRRFK 0.14
8 RWWRKRFK 0.15
9 RWMRPRFR 0.17
10 RWMRPRFK 0.19
11 RWWRPRPR 0.24
12 RWMRHRFR 0.24
13 RWWRPRPK 0.26
14 RWMRHRFK 0.26
15 RWWRPRFA 0.28
16 RWMRRRFR 0.29
17 RWWRPRFH 0.29
18 RWMRKRFR 0.3
19 RWMRRRFK 0.31
20 RWWRHRPR 0.31
21 RWMRKRFK 0.32
22 RWWRPRYR 0.32
23 RWWRHRPK 0.33
24 RWWRPRYK 0.34
25 RWWRHRFA 0.35
26 RWWRHRFH 0.36
27 RWWRRRPR 0.36
28 RWWRRRPK 0.38
29 RWWRKRPR 0.38
30 RWWRHRYR 0.39
31 RWWRKRPK 0.39
32 RWWRHRYK 0.4
33 RWMRPRPR 0.41
34 RWWRRRFA 0.41
35 RWWRRRFH 0.41
36 RWWRKRFA 0.42
37 RWWRKRFH 0.42
38 RWMRPRPK 0.43
39 RWWRRRYR 0.44
40 RWWRKRYR 0.45
41 RWWRRRYK 0.46
42 RWMRPRFA 0.46
43 RWMRPRFH 0.46
44 RWWRKRYK 0.47
45 RWMRHRPR 0.48
46 RWMRPRYR 0.49
47 RWMRHRPK 0.5
48 RWMRPRYK 0.51
49 RWMRHRFA 0.52
50 RWWRPRPA 0.53
51 RWWRPRPH 0.53
52 RWMRHRFH 0.53
53 RWMRRRPR 0.54
54 RWMRRRPK 0.55
55 RWMRKRPR 0.55
56 RWMRKRPK 0.56
57 RWMRHRYR 0.56
58 RWMRRRFH 0.58
59 RWMRRRFA 0.58
60 RWMRHRYK 0.58
61 RWMRKRFH 0.59
62 RWMRKRFA 0.59
63 RWWRHRPA 0.59
64 RWWRPRYA 0.6
65 RWWRHRPH 0.6
66 RWMRRRYR 0.61
67 RWWRPRYH 0.61
68 RWMRKRYR 0.62
69 RWMRRRYK 0.63
70 RWMRKRYK 0.64
71 RWWRRRPA 0.65
72 RWWRRRPH 0.66
73 RWWRKRPA 0.66
74 RWWRHRYA 0.67
75 RWWRKRPH 0.67
76 RWWRHRYH 0.68
77 RWMRPRPA 0.7
78 RWMRPRPH 0.7
79 RWWRRRYH 0.73
80 RWWRRRYA 0.73
81 RWWRKRYA 0.74
82 RWWRKRYH 0.74
83 RWMRHRPH 0.77
84 RWMRHRPA 0.77
85 RWMRPRYH 0.78
86 RWMRPRYA 0.78
87 RWMRRRPA 0.82
88 RWMRKRPA 0.83
89 RWMRRRPH 0.83
90 RWMRKRPH 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWWRKRPR

2.61

-13.05

-10.44
2 RWMRHRFR

2.39

-12.58

-10.19
3 RWMRPRFK

2.51

-11.31

-8.8
4 RWMRRRFR

2.19

-10.92

-8.73
5 RWMRHRFK

2.18

-10.24

-8.06
6 RWMRRRFK

2.11

-9.87

-7.76
7 RWMRKRFR

2.24

-9.89

-7.65
8 RWMRPRFR

1.84

-9.38

-7.54
9 RWWRPRPK

1.68

-8.89

-7.21
10 RWMRKRFK

2.3

-9.51

-7.21
11 RWWRRRPR

2.96

-9.96

-7.0
12 RWWRHRPR

2.06

-8.79

-6.73
13 RWWRHRFA

2.3

-8.98

-6.68
14 RWWRHRPK

2.36

-8.93

-6.57
15 RWWRHRFH

2.77

-9.23

-6.46
16 RWWRPRPR

2.79

-9.19

-6.4
17 RWWRRRPK

1.69

-8.08

-6.39
18 RWWRHRFK

3.91

-10.15

-6.24
19 RWWRPRYK

2.1

-8.32

-6.22
20 RWWRKRFK

2.26

-8.38

-6.12
21 RWWRHRFR

2.0

-8.04

-6.04
22 RWWRPRFR

3.36

-9.15

-5.79
23 RWWRRRFK

3.79

-9.23

-5.44
24 RWWRHRYR

3.54

-8.64

-5.1
25 RWWRPRYR

2.97

-7.93

-4.96
26 RWWRKRFR

3.24

-8.13

-4.89
27 RWWRPRFA

3.72

-8.48

-4.76
28 RWWRPRFK

3.13

-7.63

-4.5
29 RWWRRRFR

3.03

-7.29

-4.26
30 RWWRPRFH

4.01

-7.55

-3.54

 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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