Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-26.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
poly-Ala 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 3.941 ΔGbinding -1.814
TOTAL
 2.127
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.426
Van der Waals -3.790 Backbone clash 0.000
Electrostatics 0.295 Helix dipole 0.000
Solvation Polar 3.863 Water bridges -0.095
Solvation Hyd -5.182 Disulfide 0.000
VdW clashes 0.102 Electrost. Kon 0.378
Entropy sc 0.268 Part.cov.bonds 0.000
Entropy mc

1.923

 ΔGstability

83.049
       

Predicted ligand sequences for model [SLA1-D2_1JO8-26.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-D2_1JO8-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRHRIHPR 0.0
2 KRRHRIHPR 0.05
3 RKRHRIHPR 0.07
4 RRRHRIHRR 0.11
5 KKRHRIHPR 0.12
6 RDRHRIHPR 0.13
7 KRRHRIHRR 0.15
8 KDRHRIHPR 0.17
9 RKRHRIHRR 0.18
10 RRRHKIHPR 0.19
11 KKRHRIHRR 0.23
12 RDRHRIHRR 0.23
13 KRRHKIHPR 0.24
14 SRRHRIHPR 0.25
15 RKRHKIHPR 0.27
16 KDRHRIHRR 0.28
17 RRRHKIHRR 0.3
18 KKRHKIHPR 0.31
19 RDRHKIHPR 0.32
20 SKRHRIHPR 0.33
21 RRRHRIHKR 0.34
22 RRRHHIHPR 0.35
23 KRRHKIHRR 0.35
24 SRRHRIHRR 0.36
25 RKRHKIHRR 0.37
26 KDRHKIHPR 0.37
27 SDRHRIHPR 0.38
28 KRRHRIHKR 0.39
29 KRRHHIHPR 0.4
30 RKRHRIHKR 0.42
31 RKRHHIHPR 0.42
32 KKRHKIHRR 0.42
33 RDRHKIHRR 0.43
34 SKRHRIHRR 0.43
35 RRRHHIHRR 0.45
36 SRRHKIHPR 0.45
37 KKRHRIHKR 0.46
38 RRKHRIHPR 0.46
39 KKRHHIHPR 0.47
40 RDRHRIHKR 0.47
41 RDRHHIHPR 0.47
42 KDRHKIHRR 0.47
43 SDRHRIHRR 0.48
44 RRRHRGHPR 0.49
45 KRRHHIHRR 0.5
46 KRKHRIHPR 0.51
47 KDRHRIHKR 0.52
48 KDRHHIHPR 0.52
49 SKRHKIHPR 0.52
50 RKKHRIHPR 0.53
51 RKRHHIHRR 0.53
52 RRRHKIHKR 0.54
53 KRRHRGHPR 0.54
54 SRRHKIHRR 0.55
55 RRKHRIHRR 0.56
56 KKRHHIHRR 0.57
57 RKRHRGHPR 0.57
58 SDRHKIHPR 0.57
59 RDRHHIHRR 0.58
60 KKKHRIHPR 0.58
61 RDKHRIHPR 0.58
62 KRRHKIHKR 0.59
63 RRRHRGHRR 0.6
64 SRRHHIHPR 0.6
65 SRRHRIHKR 0.6
66 RKRHKIHKR 0.61
67 KRKHRIHRR 0.61
68 KKRHRGHPR 0.61
69 RDRHRGHPR 0.62
70 KDRHHIHRR 0.63
71 SKRHKIHRR 0.63
72 KDKHRIHPR 0.63
73 RKKHRIHRR 0.64
74 RRKHKIHPR 0.65
75 KRRHRGHRR 0.65
76 KKRHKIHKR 0.66
77 SKRHRIHKR 0.67
78 RDRHKIHKR 0.67
79 KDRHRGHPR 0.67
80 RKRHRGHRR 0.67
81 SDRHKIHRR 0.68
82 KKKHRIHRR 0.68
83 SKRHHIHPR 0.68
84 RRRHKGHPR 0.69
85 RRRHHIHKR 0.69
86 RDKHRIHRR 0.69
87 KRKHKIHPR 0.7
88 SRKHRIHPR 0.71
89 KDRHKIHKR 0.71
90 SRRHHIHRR 0.71
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRHHIHPR

4.09

-11.28

-7.19
2 RKRHKIHRR

3.61

-9.47

-5.86
3 RRRHKIHRR

4.51

-9.59

-5.08
4 SRRHRIHRR

4.01

-8.83

-4.82
5 RRRHRIHRR

4.82

-9.48

-4.66
6 RRRHRIHPR

4.78

-9.43

-4.65
7 KKRHRIHRR

3.37

-8.0

-4.63
8 KDRHKIHPR

4.71

-9.27

-4.56
9 KDRHRIHRR

4.69

-9.23

-4.54
10 RDRHRIHPR

5.06

-9.5

-4.44
11 RRRHHIHPR

4.6

-9.0

-4.4
12 RKRHRIHPR

3.88

-8.26

-4.38
13 KKRHKIHPR

3.69

-8.04

-4.35
14 RKRHRIHKR

4.04

-8.37

-4.33
15 KRRHRIHKR

3.71

-7.99

-4.28
16 KRRHKIHPR

3.62

-7.9

-4.28
17 KRRHRIHPR

4.8

-9.07

-4.27
18 KDRHRIHPR

3.83

-8.07

-4.24
19 SDRHRIHPR

3.44

-7.6

-4.16
20 RRRHRIHKR

3.59

-7.73

-4.14
21 KRRHKIHRR

5.08

-9.14

-4.06
22 RRRHKIHPR

4.93

-8.75

-3.82
23 RDRHRIHRR

5.19

-9.01

-3.82
24 RKRHRIHRR

3.75

-7.36

-3.61
25 KRRHRIHRR

3.92

-7.06

-3.14
26 RDRHKIHPR

3.5

-6.43

-2.93
27 SRRHRIHPR

3.58

-6.47

-2.89
28 RKRHKIHPR

4.19

-7.04

-2.85
29 KKRHRIHPR

3.59

-6.38

-2.79
30 SKRHRIHPR

4.52

-6.46

-1.94

 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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