Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-12.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 8.627 ΔGbinding -1.657
TOTAL
 6.970
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.457
Van der Waals -2.051 Backbone clash 0.076
Electrostatics -0.168 Helix dipole 0.000
Solvation Polar 2.270 Water bridges 0.000
Solvation Hyd -3.040 Disulfide 0.000
VdW clashes 0.268 Electrost. Kon -0.300
Entropy sc 0.505 Part.cov.bonds 0.000
Entropy mc

1.677

 ΔGstability

37.416
       

Predicted ligand sequences for model [SLA1-D3_1KA9-12.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_1KA9-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYFRPRYR 0.0
2 RYFRPRPR 0.1
3 RYFRKRYR 0.11
4 RYFRHRYR 0.12
5 RYFRPRYK 0.13
6 RYFRRRYR 0.17
7 RYFRPRFR 0.18
8 RYFRPRYA 0.19
9 RYFRKRPR 0.21
10 RYFRPRYP 0.22
11 RYFRHRPR 0.23
12 RYFRPRPK 0.24
13 RYFRKRYK 0.24
14 RYFRHRYK 0.26
15 RYFRRRPR 0.28
16 RFFRPRYR 0.29
17 RYFRKRFR 0.29
18 RYFRPRPA 0.3
19 RYFRKRYA 0.3
20 RYFRHRFR 0.3
21 RYFRRRYK 0.3
22 RYFRPRFK 0.31
23 RYFRHRYA 0.32
24 RYFRPRPP 0.33
25 RYFRKRYP 0.33
26 RYFRKRPK 0.34
27 RYFRHRYP 0.35
28 RYFRRRFR 0.35
29 RYFRHRPK 0.36
30 RYFRRRYA 0.36
31 RYFRPRFA 0.37
32 RFFRPRPR 0.39
33 RFFRKRYR 0.4
34 RYFRPRFP 0.4
35 RYFRRRYP 0.4
36 RYFRKRPA 0.41
37 RFFRHRYR 0.41
38 RYFRRRPK 0.41
39 RYFRHRPA 0.42
40 RFFRPRYK 0.42
41 RYFRKRFK 0.42
42 RYFRKRPP 0.44
43 RYFRHRFK 0.44
44 RYFRHRPP 0.45
45 RFFRRRYR 0.46
46 RYFRRRPA 0.47
47 RFFRPRFR 0.47
48 RYFRRRFK 0.48
49 RFFRPRYA 0.48
50 RYFRKRFA 0.48
51 RYFRRRPP 0.5
52 RYFRHRFA 0.5
53 RFFRKRPR 0.5
54 RFFRPRYP 0.51
55 RYFRKRFP 0.51
56 RFFRPRPK 0.52
57 RFFRHRPR 0.52
58 RFFRKRYK 0.53
59 RYFRHRFP 0.53
60 RFFRHRYK 0.54
61 RYFRRRFA 0.54
62 RFFRRRPR 0.56
63 RFFRKRFR 0.57
64 RYFRRRFP 0.57
65 RFFRPRPA 0.58
66 RFFRKRYA 0.59
67 RFFRHRFR 0.59
68 RFFRRRYK 0.59
69 RFFRPRFK 0.6
70 RFFRHRYA 0.61
71 RFFRPRPP 0.62
72 RFFRKRYP 0.62
73 RFFRKRPK 0.63
74 RFFRRRFR 0.64
75 RFFRHRYP 0.64
76 RFFRRRYA 0.65
77 RFFRHRPK 0.65
78 RFFRPRFA 0.66
79 RFFRRRYP 0.68
80 RFFRRRPK 0.69
81 RFFRPRFP 0.69
82 RFFRKRPA 0.69
83 RFFRKRFK 0.71
84 RFFRHRPA 0.71
85 RFFRHRFK 0.72
86 RFFRKRPP 0.72
87 RFFRHRPP 0.74
88 RFFRRRPA 0.76
89 RFFRRRFK 0.77
90 RFFRKRFA 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RYFRHRPR

4.24

-9.1

-4.86
2 RYFRPRPR

4.04

-8.78

-4.74
3 RYFRPRPP

4.38

-9.04

-4.66
4 RYFRPRPA

4.44

-8.75

-4.31
5 RYFRRRPR

4.55

-8.74

-4.19
6 RYFRKRPK

4.81

-8.77

-3.96
7 RYFRHRYR

4.76

-8.65

-3.89
8 RYFRHRPK

4.56

-8.42

-3.86
9 RYFRPRPK

4.26

-8.09

-3.83
10 RYFRPRFR

5.91

-9.6

-3.69
11 RYFRHRFR

6.07

-9.66

-3.59
12 RYFRKRPR

4.78

-8.29

-3.51
13 RYFRHRYP

5.62

-8.75

-3.13
14 RYFRRRFR

6.39

-9.26

-2.87
15 RYFRPRYA

4.85

-7.66

-2.81
16 RYFRPRFK

6.11

-8.82

-2.71
17 RYFRKRFR

5.84

-8.5

-2.66
18 RYFRKRYK

5.76

-8.32

-2.56
19 RYFRKRYP

5.85

-8.18

-2.33
20 RYFRHRYK

5.45

-7.58

-2.13
21 RYFRPRYR

5.51

-7.49

-1.98
22 RYFRKRYA

6.83

-8.79

-1.96
23 RYFRPRYP

6.09

-8.03

-1.94
24 RYFRPRYK

6.14

-7.85

-1.71
25 RYFRRRYR

5.83

-7.48

-1.65
26 RYFRRRYA

5.08

-6.69

-1.61
27 RFFRPRYR

5.96

-7.55

-1.59
28 RYFRHRYA

5.6

-6.71

-1.11
29 RYFRKRYR

6.29

-7.17

-0.88
30 RYFRRRYK

6.51

-5.11

1.4

 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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