Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-20.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
G
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 6.103 ΔGbinding 4.327
TOTAL
 10.430
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.487 Torsional clash 0.088
Van der Waals -5.923 Backbone clash 0.176
Electrostatics -0.224 Helix dipole 0.000
Solvation Polar 7.977 Water bridges 0.000
Solvation Hyd -8.193 Disulfide 0.000
VdW clashes 7.928 Electrost. Kon -0.414
Entropy sc 1.267 Part.cov.bonds 0.000
Entropy mc

4.835

 ΔGstability

41.478
       

Predicted ligand sequences for model [SLA1-D3_1KA9-20.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_1KA9-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKFFRGRSY 0.0
2 RRFFRGRSY 0.09
3 RKFMRGRSY 0.17
4 RKYFRGRSY 0.18
5 RRFMRGRSY 0.26
6 RRYFRGRSY 0.27
7 RKHFRGRSY 0.3
8 RKYMRGRSY 0.35
9 RKPFRGRSY 0.35
10 RRHFRGRSY 0.4
11 RKMFRGRSY 0.42
12 RRYMRGRSY 0.44
13 RRPFRGRSY 0.44
14 RKFRRGRSY 0.44
15 YKFFRGRSY 0.45
16 RKHMRGRSY 0.48
17 HKFFRGRSY 0.51
18 RRMFRGRSY 0.51
19 RRFRRGRSY 0.53
20 RKPMRGRSY 0.53
21 YRFFRGRSY 0.54
22 RRHMRGRSY 0.57
23 RKMMRGRSY 0.59
24 HRFFRGRSY 0.6
25 RRPMRGRSY 0.62
26 RKYRRGRSY 0.62
27 YKFMRGRSY 0.62
28 YKYFRGRSY 0.63
29 HKFMRGRSY 0.68
30 HKYFRGRSY 0.69
31 RRMMRGRSY 0.69
32 YRFMRGRSY 0.71
33 RRYRRGRSY 0.71
34 YRYFRGRSY 0.72
35 RKHRRGRSY 0.74
36 YKHFRGRSY 0.75
37 HRFMRGRSY 0.77
38 HRYFRGRSY 0.78
39 RKPRRGRSY 0.79
40 YKPFRGRSY 0.8
41 YKYMRGRSY 0.8
42 HKHFRGRSY 0.81
43 RRHRRGRSY 0.83
44 YRHFRGRSY 0.84
45 HKPFRGRSY 0.86
46 HKYMRGRSY 0.86
47 RKMRRGRSY 0.86
48 YKMFRGRSY 0.87
49 RRPRRGRSY 0.88
50 YRPFRGRSY 0.89
51 YKFRRGRSY 0.89
52 YRYMRGRSY 0.89
53 HRHFRGRSY 0.9
54 YKHMRGRSY 0.93
55 HKMFRGRSY 0.93
56 HKFRRGRSY 0.94
57 HRPFRGRSY 0.95
58 RRMRRGRSY 0.95
59 HRYMRGRSY 0.95
60 YRMFRGRSY 0.96
61 YKPMRGRSY 0.97
62 YRFRRGRSY 0.98
63 HKHMRGRSY 0.98
64 YRHMRGRSY 1.02
65 HRMFRGRSY 1.02
66 HKPMRGRSY 1.03
67 HRFRRGRSY 1.03
68 YKMMRGRSY 1.04
69 YKYRRGRSY 1.06
70 YRPMRGRSY 1.06
71 HRHMRGRSY 1.07
72 HKMMRGRSY 1.1
73 HRPMRGRSY 1.12
74 HKYRRGRSY 1.12
75 YRMMRGRSY 1.13
76 YRYRRGRSY 1.16
77 HRMMRGRSY 1.19
78 YKHRRGRSY 1.19
79 HRYRRGRSY 1.21
80 YKPRRGRSY 1.24
81 HKHRRGRSY 1.25
82 YRHRRGRSY 1.28
83 HKPRRGRSY 1.3
84 YKMRRGRSY 1.31
85 YRPRRGRSY 1.33
86 HRHRRGRSY 1.34
87 HKMRRGRSY 1.36
88 HRPRRGRSY 1.39
89 YRMRRGRSY 1.4
90 HRMRRGRSY 1.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKFRRGRSY

5.56

-9.81

-4.25
2 RRFMRGRSY

4.65

-8.53

-3.88
3 RKHMRGRSY

5.68

-9.47

-3.79
4 YKFMRGRSY

5.88

-9.63

-3.75
5 RRHMRGRSY

6.1

-9.83

-3.73
6 RRFRRGRSY

6.1

-9.83

-3.73
7 RKYMRGRSY

5.42

-8.96

-3.54
8 RRPMRGRSY

5.86

-9.28

-3.42
9 RRYMRGRSY

5.93

-9.3

-3.37
10 RKFFRGRSY

5.7

-9.01

-3.31
11 RRFFRGRSY

5.3

-8.52

-3.22
12 RRPFRGRSY

6.0

-9.21

-3.21
13 RKFMRGRSY

5.86

-9.01

-3.15
14 RKYRRGRSY

6.02

-9.0

-2.98
15 YKFFRGRSY

6.94

-9.66

-2.72
16 RKHFRGRSY

6.18

-8.85

-2.67
17 RKMFRGRSY

6.46

-9.1

-2.64
18 RRHFRGRSY

5.58

-8.16

-2.58
19 HKFFRGRSY

5.73

-8.2

-2.47
20 YKYFRGRSY

6.62

-9.01

-2.39
21 RKMMRGRSY

5.87

-8.14

-2.27
22 RKPMRGRSY

5.66

-7.54

-1.88
23 HRFFRGRSY

6.08

-7.88

-1.8
24 YRFFRGRSY

6.98

-8.65

-1.67
25 HKFMRGRSY

6.55

-8.11

-1.56
26 RRMFRGRSY

6.63

-8.07

-1.44
27 HKYFRGRSY

6.89

-8.21

-1.32
28 RRYFRGRSY

6.63

-7.12

-0.49
29 RKYFRGRSY

6.34

-6.81

-0.47
30 RKPFRGRSY

7.56

-7.57

-0.01

 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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