Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 3.734 ΔGbinding -1.609
TOTAL
 2.125
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.285
Van der Waals -2.529 Backbone clash 0.042
Electrostatics -0.272 Helix dipole 0.000
Solvation Polar 2.968 Water bridges 0.016
Solvation Hyd -3.432 Disulfide 0.000
VdW clashes 1.752 Electrost. Kon -0.365
Entropy sc 0.659 Part.cov.bonds 0.000
Entropy mc

1.858

 ΔGstability

101.959
       

Predicted ligand sequences for model [SLA1-D1_2A28-23.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-D1_2A28-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKKMPRK 0.0
2 RKKMRRK 0.01
3 RPKMPRK 0.06
4 RPKMRRK 0.08
5 RKKMPRH 0.09
6 RRKMPRK 0.1
7 RKKMRRH 0.1
8 RKKRPRK 0.11
9 RRKMRRK 0.11
10 RKKRRRK 0.12
11 RPKMPRH 0.15
12 RPKMRRH 0.16
13 RKKMPRW 0.17
14 RKNMPRK 0.17
15 RPKRPRK 0.17
16 RRKMPRH 0.18
17 RKNMRRK 0.18
18 RKRMPRK 0.18
19 RPKRRRK 0.19
20 RKKMRRW 0.19
21 RKKRPRH 0.2
22 RRKMRRH 0.2
23 RKRMRRK 0.2
24 RKKRRRH 0.21
25 RRKRPRK 0.21
26 RRKRRRK 0.22
27 RPNMPRK 0.23
28 RPKMPRW 0.24
29 RPNMRRK 0.24
30 RPKMRRW 0.25
31 RPRMPRK 0.25
32 RKNMPRH 0.25
33 RRNMPRK 0.26
34 RPRMRRK 0.26
35 RPKRPRH 0.26
36 RKNMRRH 0.27
37 RRKMPRW 0.27
38 RPKRRRH 0.27
39 RKRMPRH 0.27
40 RRNMRRK 0.28
41 RKKRPRW 0.28
42 RKNRPRK 0.28
43 RRRMPRK 0.28
44 RKRRPRK 0.29
45 RRKRPRH 0.29
46 RRKMRRW 0.29
47 RKRMRRH 0.29
48 RKNRRRK 0.29
49 RRRMRRK 0.3
50 RKKRRRW 0.3
51 RRKRRRH 0.31
52 RKRRRRK 0.31
53 RPNMPRH 0.32
54 RKKMFRK 0.33
55 RPRMPRH 0.33
56 RPNMRRH 0.33
57 RPNRPRK 0.34
58 RKNMPRW 0.34
59 RRNMPRH 0.35
60 RPNRRRK 0.35
61 RPRMRRH 0.35
62 RKNMRRW 0.35
63 RPKRPRW 0.35
64 RRNMRRH 0.36
65 RPKRRRW 0.36
66 RPRRPRK 0.36
67 RKNRPRH 0.36
68 RKRMPRW 0.36
69 RPRRRRK 0.37
70 RRNRPRK 0.37
71 RKRMRRW 0.37
72 RRRMPRH 0.37
73 RRRMRRH 0.38
74 RKRRPRH 0.38
75 RKNRRRH 0.38
76 RRKRPRW 0.38
77 RRNRRRK 0.39
78 RRRRPRK 0.39
79 RKRRRRH 0.4
80 RPKMFRK 0.4
81 RPNMPRW 0.4
82 RRKRRRW 0.4
83 RRRRRRK 0.41
84 RKKMFRH 0.42
85 RPRMPRW 0.42
86 RPNRPRH 0.42
87 RPNMRRW 0.42
88 RRKMFRK 0.43
89 RRNMPRW 0.44
90 RKKRFRK 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKRMPRK

7.2

-6.93

0.27
2 RKKMPRH

7.41

-6.99

0.42
3 RPKMRRW

6.8

-6.2

0.6
4 RPKMRRK

7.48

-6.86

0.62
5 RKKMPRW

6.7

-6.06

0.64
6 RRKMRRH

7.42

-6.72

0.7
7 RKKMPRK

7.34

-6.63

0.71
8 RPKMPRW

6.61

-5.85

0.76
9 RRKMPRH

7.19

-6.43

0.76
10 RKNMPRK

6.9

-6.13

0.77
11 RKRMRRK

7.45

-6.61

0.84
12 RRKMRRK

7.53

-6.66

0.87
13 RPKMPRK

7.35

-6.44

0.91
14 RPKMRRH

7.67

-6.66

1.01
15 RKKMRRK

7.36

-6.35

1.01
16 RRKMPRK

7.52

-6.24

1.28
17 RRKRRRK

7.27

-5.94

1.33
18 RPKMPRH

7.4

-6.07

1.33
19 RKKMRRH

7.95

-6.61

1.34
20 RPNMPRK

7.23

-5.89

1.34
21 RKKMRRW

7.96

-6.57

1.39
22 RKKRRRK

7.13

-5.36

1.77
23 RKKRRRH

7.61

-5.83

1.78
24 RPKRRRK

7.5

-5.46

2.04
25 RKKRPRH

6.66

-4.59

2.07
26 RRKRPRK

8.66

-6.52

2.14
27 RKKRPRK

8.87

-6.47

2.4
28 RKNMRRK

7.31

-4.74

2.57
29 RPNMRRK

7.56

-4.87

2.69
30 RPKRPRK

8.16

-5.02

3.14

 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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