Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-4.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 6.640 ΔGbinding 7.911
TOTAL
 14.551
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.235
Van der Waals -5.577 Backbone clash 0.538
Electrostatics 0.096 Helix dipole 0.000
Solvation Polar 6.328 Water bridges -0.194
Solvation Hyd -8.339 Disulfide 0.000
VdW clashes 10.303 Electrost. Kon 0.005
Entropy sc 1.176 Part.cov.bonds 0.000
Entropy mc

2.878

 ΔGstability

46.754
       

Predicted ligand sequences for model [SLA1-D3_1CSK-4.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-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGPKRHRMPR 0.0
2 RGPRRHRMPR 0.06
3 RGRKRHRMPR 0.08
4 RGPKRHRPPR 0.11
5 RGRRRHRMPR 0.14
6 RGPRRHRPPR 0.16
7 RGKKRHRMPR 0.17
8 RGPKRHRFPR 0.17
9 RGRKRHRPPR 0.18
10 DGPKRHRMPR 0.21
11 RGPRRHRFPR 0.22
12 RGKRRHRMPR 0.23
13 RGRRRHRPPR 0.24
14 RGRKRHRFPR 0.24
15 DGPRRHRMPR 0.26
16 RGKKRHRPPR 0.28
17 DGRKRHRMPR 0.28
18 RGRRRHRFPR 0.3
19 DGPKRHRPPR 0.31
20 RGKRRHRPPR 0.33
21 DGRRRHRMPR 0.34
22 RGKKRHRFPR 0.34
23 RGPKRHRMPW 0.35
24 DGPRRHRPPR 0.37
25 DGPKRHRFPR 0.37
26 DGKKRHRMPR 0.38
27 RGKRRHRFPR 0.39
28 RGPKRHRMPH 0.39
29 DGRKRHRPPR 0.39
30 RGPRRHRMPW 0.41
31 DGKRRHRMPR 0.43
32 RGRKRHRMPW 0.43
33 DGPRRHRFPR 0.43
34 RGPRRHRMPH 0.44
35 DGRRRHRPPR 0.45
36 DGRKRHRFPR 0.45
37 RGPKRHRPPW 0.46
38 RGRKRHRMPH 0.46
39 RGPKRHRMMR 0.47
40 DGKKRHRPPR 0.48
41 RGRRRHRMPW 0.48
42 RGPKRHRPPH 0.49
43 DGRRRHRFPR 0.51
44 RGPRRHRPPW 0.51
45 RGKKRHRMPW 0.52
46 RGRRRHRMPH 0.52
47 RGPKRHRFPW 0.52
48 RGPRRHRMMR 0.53
49 RGRKRHRPPW 0.53
50 DGKKRHRFPR 0.54
51 DGKRRHRPPR 0.54
52 RGRKRHRMMR 0.55
53 RGPRRHRPPH 0.55
54 RGPKRHRFPH 0.55
55 RGKKRHRMPH 0.56
56 DGPKRHRMPW 0.56
57 RGPRRHRFPW 0.57
58 RGRKRHRPPH 0.57
59 RGPKRHRPMR 0.58
60 RGKRRHRMPW 0.58
61 DGPKRHRMPH 0.59
62 RGRRRHRPPW 0.59
63 RGRKRHRFPW 0.59
64 DGKRRHRFPR 0.6
65 RGPRRHRFPH 0.61
66 RGKRRHRMPH 0.61
67 RGRRRHRMMR 0.61
68 DGPRRHRMPW 0.61
69 RGKKRHRPPW 0.63
70 DGRKRHRMPW 0.63
71 RGRRRHRPPH 0.63
72 RGRKRHRFPH 0.63
73 RGPRRHRPMR 0.64
74 RGPKRHRFMR 0.64
75 RGKKRHRMMR 0.64
76 DGPRRHRMPH 0.65
77 RGRRRHRFPW 0.65
78 RGKKRHRPPH 0.66
79 DGPKRHRPPW 0.66
80 RGRKRHRPMR 0.66
81 DGRKRHRMPH 0.67
82 RGKRRHRPPW 0.68
83 DGPKRHRMMR 0.68
84 RGKKRHRFPW 0.69
85 DGRRRHRMPW 0.69
86 RGPRRHRFMR 0.69
87 RGRRRHRFPH 0.69
88 DGPKRHRPPH 0.7
89 RGKRRHRMMR 0.7
90 RGRKRHRFMR 0.71
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGRRRHRFPR

4.37

-6.84

-2.47
2 DGRRRHRMPR

6.63

-9.07

-2.44
3 RGPKRHRPPR

4.98

-7.08

-2.1
4 RGRRRHRPPR

5.43

-6.63

-1.2
5 DGRKRHRMPR

4.88

-5.87

-0.99
6 DGKKRHRMPR

4.89

-5.77

-0.88
7 RGPRRHRPPR

5.6

-6.44

-0.84
8 DGRKRHRPPR

4.84

-5.59

-0.75
9 RGKRRHRPPR

5.79

-6.4

-0.61
10 RGKKRHRFPR

4.63

-5.14

-0.51
11 RGKKRHRPPR

5.67

-6.13

-0.46
12 RGRKRHRPPR

5.04

-5.43

-0.39
13 RGKRRHRMPR

5.59

-5.79

-0.2
14 RGKRRHRFPR

5.64

-5.66

-0.02
15 DGPRRHRMPR

4.05

-4.03

0.02
16 RGPKRHRMPR

4.82

-4.63

0.19
17 DGPKRHRPPR

4.29

-3.93

0.36
18 DGPRRHRPPR

5.38

-4.9

0.48
19 DGPKRHRMPR

4.95

-4.42

0.53
20 RGRRRHRMPR

5.87

-5.17

0.7
21 RGRKRHRMPR

5.67

-4.96

0.71
22 RGKKRHRMPR

5.3

-4.45

0.85
23 RGPKRHRMPW

5.51

-4.34

1.17
24 RGPKRHRFPR

5.57

-4.27

1.3
25 RGPRRHRMPW

5.45

-4.13

1.32
26 DGPKRHRFPR

5.5

-4.15

1.35
27 RGPKRHRMPH

6.06

-4.57

1.49
28 RGPRRHRMPR

6.82

-5.33

1.49
29 RGRKRHRFPR

5.82

-4.18

1.64
30 RGPRRHRFPR

5.7

-3.27

2.43

 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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