Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-2.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 6.335 ΔGbinding 7.656
TOTAL
 13.991
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.177
Van der Waals -5.474 Backbone clash 0.503
Electrostatics 0.092 Helix dipole 0.000
Solvation Polar 6.092 Water bridges -0.151
Solvation Hyd -8.296 Disulfide 0.000
VdW clashes 9.994 Electrost. Kon 0.042
Entropy sc 1.124 Part.cov.bonds 0.000
Entropy mc

3.054

 ΔGstability

46.168
       

Predicted ligand sequences for model [SLA1-D3_1CSK-2.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_1CSK-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DGKRRHRWPR 0.0
2 DGKKRHRWPR 0.01
3 DGKRRRRWPR 0.02
4 NGKRRHRWPR 0.03
5 NGKKRHRWPR 0.04
6 DGKKRRRWPR 0.04
7 NGKRRRRWPR 0.05
8 DGRRRHRWPR 0.05
9 DGRKRHRWPR 0.06
10 NGKKRRRWPR 0.07
11 DGRRRRRWPR 0.07
12 DGKRRHRDPR 0.08
13 DGRKRRRWPR 0.08
14 NGRRRHRWPR 0.08
15 NGRKRHRWPR 0.09
16 DGKKRHRDPR 0.1
17 NGRRRRRWPR 0.1
18 DGKRRRRDPR 0.11
19 NGKRRHRDPR 0.11
20 NGRKRRRWPR 0.11
21 DGKKRRRDPR 0.12
22 NGKKRHRDPR 0.13
23 DGRRRHRDPR 0.13
24 DGRKRHRDPR 0.14
25 NGKRRRRDPR 0.14
26 NGKKRRRDPR 0.15
27 DGRRRRRDPR 0.15
28 NGRRRHRDPR 0.16
29 NGRKRHRDPR 0.17
30 DGRKRRRDPR 0.17
31 NGRRRRRDPR 0.18
32 NGRKRRRDPR 0.2
33 DGKRRHRFPR 0.22
34 DGKKRHRFPR 0.23
35 DGKRRRRFPR 0.24
36 NGKRRHRFPR 0.25
37 DGKKRRRFPR 0.25
38 DNKRRHRWPR 0.26
39 DGKRRHRWRR 0.26
40 NGKKRHRFPR 0.26
41 DGRRRHRFPR 0.27
42 DGKKRHRWRR 0.27
43 DNKKRHRWPR 0.27
44 NGKRRRRFPR 0.27
45 DGKRRRRWRR 0.28
46 DGPRRHRWPR 0.28
47 DNKRRRRWPR 0.28
48 NGKKRRRFPR 0.28
49 DGRKRHRFPR 0.28
50 DGRRRRRFPR 0.29
51 DGKRRHRWPH 0.29
52 NGKRRHRWRR 0.29
53 DGPKRHRWPR 0.29
54 NNKRRHRWPR 0.29
55 NGRRRHRFPR 0.29
56 DGKKRRRWRR 0.3
57 NNKKRHRWPR 0.3
58 DGPRRRRWPR 0.3
59 DNKKRRRWPR 0.3
60 NGKKRHRWRR 0.3
61 DGRKRRRFPR 0.3
62 NGKRRRRWRR 0.31
63 NGRKRHRFPR 0.31
64 NGPRRHRWPR 0.31
65 DGRRRHRWRR 0.31
66 DNRRRHRWPR 0.31
67 NNKRRRRWPR 0.31
68 DGKKRHRWPH 0.31
69 DGPKRRRWPR 0.32
70 DNRKRHRWPR 0.32
71 NGPKRHRWPR 0.32
72 DGKRRRRWPH 0.32
73 DGRKRHRWRR 0.32
74 NGRRRRRFPR 0.32
75 NGKRRHRWPH 0.32
76 NNKKRRRWPR 0.33
77 DNRRRRRWPR 0.33
78 NGKKRRRWRR 0.33
79 DGKKRRRWPH 0.33
80 NGRKRRRFPR 0.33
81 DGRRRRRWRR 0.33
82 NGPRRRRWPR 0.33
83 NNRRRHRWPR 0.34
84 NGKKRHRWPH 0.34
85 DNKRRHRDPR 0.34
86 DGKRRHRDRR 0.34
87 DGRRRHRWPH 0.34
88 NGRRRHRWRR 0.34
89 DGRKRRRWRR 0.34
90 DNRKRRRWPR 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DGRRRHRDPR

4.71

-12.36

-7.65
2 DGKRRRRWPR

5.6

-12.09

-6.49
3 NGKRRRRDPR

6.55

-13.0

-6.45
4 NGRRRHRWPR

6.04

-11.48

-5.44
5 NGKRRRRWPR

4.03

-8.49

-4.46
6 NGKKRHRDPR

4.33

-8.32

-3.99
7 NGRRRHRDPR

4.45

-8.39

-3.94
8 NGKKRRRWPR

3.73

-7.35

-3.62
9 NGKRRHRWPR

3.33

-6.3

-2.97
10 NGRKRHRDPR

2.7

-5.62

-2.92
11 NGRKRHRWPR

3.89

-6.59

-2.7
12 DGRRRRRWPR

4.21

-6.77

-2.56
13 NGKKRRRDPR

3.58

-6.13

-2.55
14 DGRKRHRDPR

3.25

-5.8

-2.55
15 NGRKRRRWPR

3.73

-6.24

-2.51
16 DGKKRRRWPR

3.95

-6.45

-2.5
17 NGRRRRRWPR

4.76

-6.98

-2.22
18 DGKKRRRDPR

4.24

-6.33

-2.09
19 DGRKRRRWPR

4.01

-5.99

-1.98
20 DGRRRRRDPR

5.22

-6.97

-1.75
21 DGRKRRRDPR

3.97

-5.68

-1.71
22 DGRRRHRWPR

4.32

-5.89

-1.57
23 NGKKRHRWPR

3.77

-5.32

-1.55
24 DGKKRHRDPR

3.71

-5.06

-1.35
25 DGKRRRRDPR

4.16

-5.44

-1.28
26 DGKRRHRWPR

3.8

-4.81

-1.01
27 DGRKRHRWPR

3.84

-4.58

-0.74
28 DGKKRHRWPR

3.54

-4.23

-0.69
29 NGKRRHRDPR

4.66

-5.31

-0.65
30 DGKRRHRDPR

3.87

-4.02

-0.15

 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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