Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-20.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 6.170 ΔGbinding -1.101
TOTAL
 5.069
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.080
Van der Waals -5.169 Backbone clash 0.279
Electrostatics 0.622 Helix dipole 0.000
Solvation Polar 6.718 Water bridges -0.024
Solvation Hyd -6.968 Disulfide 0.000
VdW clashes 2.521 Electrost. Kon 0.497
Entropy sc 1.000 Part.cov.bonds 0.000
Entropy mc

3.948

 ΔGstability

104.975
       

Predicted ligand sequences for model [SLA1-D1_2A28-20.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-D1_2A28-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRTKRGRHF 0.0
2 RRTKRGRRF 0.16
3 FRTKRGRHF 0.23
4 RRTKRGRHP 0.31
5 FRTKRGRRF 0.39
6 RRTKRGRRP 0.47
7 RRTRRGRHF 0.51
8 RRTKFGRHF 0.53
9 FRTKRGRHP 0.54
10 RRFKRGRHF 0.57
11 RRKKRGRHF 0.57
12 RRTRRGRRF 0.67
13 RRTKFGRRF 0.68
14 FRTKRGRRP 0.7
15 RRKKRGRRF 0.73
16 RRFKRGRRF 0.73
17 FRTRRGRHF 0.74
18 FRTKFGRHF 0.76
19 FRKKRGRHF 0.8
20 FRFKRGRHF 0.8
21 RRTRRGRHP 0.82
22 RRTKFGRHP 0.84
23 RRFKRGRHP 0.88
24 RRKKRGRHP 0.88
25 FRTRRGRRF 0.9
26 FRTKFGRRF 0.92
27 FRKKRGRRF 0.96
28 FRFKRGRRF 0.96
29 RRTRRGRRP 0.98
30 RRTKFGRRP 1.0
31 RRKKRGRRP 1.04
32 RRTRFGRHF 1.04
33 RRFKRGRRP 1.04
34 FRTRRGRHP 1.05
35 FRTKFGRHP 1.07
36 RRKRRGRHF 1.08
37 RRFRRGRHF 1.08
38 RRFKFGRHF 1.1
39 RRKKFGRHF 1.1
40 FRKKRGRHP 1.11
41 FRFKRGRHP 1.11
42 RRTRFGRRF 1.19
43 FRTRRGRRP 1.21
44 RRFRRGRRF 1.23
45 FRTKFGRRP 1.23
46 RRKRRGRRF 1.24
47 RRFKFGRRF 1.25
48 RRKKFGRRF 1.25
49 FRKKRGRRP 1.27
50 FRTRFGRHF 1.27
51 FRFKRGRRP 1.27
52 FRKRRGRHF 1.31
53 FRFRRGRHF 1.31
54 FRKKFGRHF 1.33
55 FRFKFGRHF 1.33
56 RRTRFGRHP 1.35
57 RRKRRGRHP 1.39
58 RRFRRGRHP 1.39
59 RRFKFGRHP 1.41
60 RRKKFGRHP 1.41
61 FRTRFGRRF 1.42
62 FRFRRGRRF 1.47
63 FRKRRGRRF 1.47
64 FRFKFGRRF 1.48
65 FRKKFGRRF 1.48
66 RRTRFGRRP 1.5
67 RRFRRGRRP 1.55
68 RRKRRGRRP 1.55
69 RRFKFGRRP 1.56
70 RRKKFGRRP 1.56
71 FRTRFGRHP 1.58
72 RRFRFGRHF 1.6
73 RRKRFGRHF 1.61
74 FRKRRGRHP 1.62
75 FRFRRGRHP 1.62
76 FRKKFGRHP 1.64
77 FRFKFGRHP 1.64
78 FRTRFGRRP 1.73
79 RRKRFGRRF 1.76
80 RRFRFGRRF 1.76
81 FRFRRGRRP 1.78
82 FRKRRGRRP 1.78
83 FRFKFGRRP 1.79
84 FRKKFGRRP 1.8
85 FRFRFGRHF 1.84
86 FRKRFGRHF 1.84
87 RRFRFGRHP 1.92
88 RRKRFGRHP 1.92
89 FRKRFGRRF 1.99
90 FRFRFGRRF 1.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFKRGRRF

5.77

-12.14

-6.37
2 FRTRRGRRF

5.53

-11.25

-5.72
3 FRTRRGRHF

6.13

-11.76

-5.63
4 FRTKRGRRF

5.87

-11.42

-5.55
5 RRTRRGRRF

6.7

-12.16

-5.46
6 RRKKRGRRF

5.81

-11.03

-5.22
7 FRFKRGRRF

6.12

-11.32

-5.2
8 RRFKRGRHF

6.22

-10.68

-4.46
9 RRTKRGRRF

6.08

-10.39

-4.31
10 FRKKRGRRF

6.65

-10.93

-4.28
11 RRTKFGRRF

5.74

-9.93

-4.19
12 FRTKFGRRF

6.69

-10.83

-4.14
13 RRTRRGRHF

6.01

-9.7

-3.69
14 FRTKRGRHF

7.19

-10.7

-3.51
15 RRTKRGRHF

5.78

-9.24

-3.46
16 FRFKRGRHF

5.75

-9.08

-3.33
17 RRTRRGRRP

6.93

-10.24

-3.31
18 RRTKFGRHF

6.83

-10.03

-3.2
19 RRTKRGRHP

6.43

-9.4

-2.97
20 RRTKRGRRP

7.18

-9.92

-2.74
21 FRTKRGRRP

6.64

-9.3

-2.66
22 RRKKRGRHF

7.08

-9.66

-2.58
23 FRKKRGRHF

6.71

-9.08

-2.37
24 FRTKFGRHF

6.08

-8.37

-2.29
25 RRKKRGRHP

6.58

-8.83

-2.25
26 FRTKRGRHP

6.32

-8.55

-2.23
27 RRTKFGRRP

6.67

-8.59

-1.92
28 RRFKRGRHP

6.58

-8.38

-1.8
29 RRTKFGRHP

6.24

-7.91

-1.67
30 RRTRRGRHP

7.75

-9.13

-1.38

 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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