Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-16.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 5.278 ΔGbinding 3.599
TOTAL
 8.877
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.013
Van der Waals -3.809 Backbone clash 0.251
Electrostatics 0.245 Helix dipole 0.000
Solvation Polar 3.720 Water bridges -0.011
Solvation Hyd -5.570 Disulfide 0.000
VdW clashes 3.609 Electrost. Kon 0.285
Entropy sc 0.453 Part.cov.bonds 0.000
Entropy mc

3.664

 ΔGstability

19.693
       

Predicted ligand sequences for model [YSC84_2A08-16.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).
 
  YSC84_2A08-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FFRIHSRFM 0.0
2 YFRIHSRFM 0.01
3 FFRIHSIFM 0.01
4 YFRIHSIFM 0.02
5 FFRIYSRFM 0.11
6 YFRIYSRFM 0.12
7 FFRIYSIFM 0.12
8 YFRIYSIFM 0.13
9 FFRIHSKFM 0.13
10 YFRIHSKFM 0.14
11 FFRIHGRFM 0.16
12 FFRIHGIFM 0.17
13 YFRIHGRFM 0.17
14 FFRIHSRRM 0.18
15 YFRIHGIFM 0.18
16 FFRMHSRFM 0.18
17 FFRMHSIFM 0.19
18 FFRIHSIRM 0.19
19 YFRIHSRRM 0.19
20 YFRMHSRFM 0.19
21 YFRIHSIRM 0.2
22 YFRMHSIFM 0.2
23 FFRIYSKFM 0.23
24 YFRIYSKFM 0.24
25 RFRIHSRFM 0.27
26 FFRIYGRFM 0.27
27 RFRIHSIFM 0.28
28 YFRIYGRFM 0.28
29 FFRIYGIFM 0.28
30 FFRMYSRFM 0.28
31 FFRIYSRRM 0.28
32 YFRMYSRFM 0.29
33 FFRIHGKFM 0.29
34 FFRMYSIFM 0.29
35 YFRIYGIFM 0.29
36 YFRIYSRRM 0.29
37 FFRIYSIRM 0.29
38 FFRIHSKRM 0.3
39 YFRIYSIRM 0.3
40 FFRMHSKFM 0.3
41 YFRIHGKFM 0.3
42 YFRMYSIFM 0.3
43 YFRIHSKRM 0.32
44 YFRMHSKFM 0.32
45 FFRMHGRFM 0.34
46 FFRIHSRFC 0.34
47 FFRIHGRRM 0.34
48 YFRIHSRFC 0.35
49 FFRMHGIFM 0.35
50 YFRMHGRFM 0.35
51 FFRIHSIFC 0.35
52 YFRIHGRRM 0.35
53 FFRIHGIRM 0.35
54 YFRIHGIRM 0.36
55 YFRIHSIFC 0.36
56 FFRMHSRRM 0.36
57 YFRMHGIFM 0.36
58 FFRMHSIRM 0.37
59 YFRMHSRRM 0.37
60 RFRIYSRFM 0.38
61 YFRMHSIRM 0.38
62 FFRKHSRFM 0.39
63 FFRIYGKFM 0.39
64 RFRIYSIFM 0.39
65 FFRKHSIFM 0.4
66 YFRIYGKFM 0.4
67 YFRKHSRFM 0.4
68 RFRIHSKFM 0.4
69 FFRIYSKRM 0.41
70 FFRMYSKFM 0.41
71 YFRKHSIFM 0.41
72 YFRIYSKRM 0.42
73 YFRMYSKFM 0.42
74 FFRIHSRMM 0.42
75 YFRIHSRMM 0.43
76 FFRIHSIMM 0.43
77 RFRIHGRFM 0.43
78 FFRMYGRFM 0.44
79 FFRIYGRRM 0.44
80 YFRIHSIMM 0.44
81 RFRIHGIFM 0.44
82 FFRMYGIFM 0.45
83 RFRIHSRRM 0.45
84 YFRMYGRFM 0.45
85 FFRIHSRFN 0.45
86 YFRIYGRRM 0.45
87 FFRIYGIRM 0.45
88 RFRMHSRFM 0.45
89 FFRIYSRFC 0.45
90 FFRMYSRRM 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FFRIHGRFM

1.59

-1.54

0.05
2 YFRIHGIFM

1.09

-0.67

0.42
3 FFRIYGRFM

2.4

-1.84

0.56
4 FFRIYGIFM

2.23

-1.46

0.77
5 FFRMYSRFM

4.53

-3.7

0.83
6 FFRIHSRRM

4.83

-3.97

0.86
7 YFRIYGRFM

2.66

-1.76

0.9
8 FFRMHSRFM

5.06

-4.14

0.92
9 FFRIHGIFM

3.14

-1.85

1.29
10 FFRIHSIFM

3.06

-1.49

1.57
11 YFRIHGRFM

3.07

-1.33

1.74
12 YFRMHSIFM

5.37

-3.53

1.84
13 YFRMHSRFM

4.96

-2.78

2.18
14 FFRMHSIFM

5.27

-2.97

2.3
15 YFRIYSIFM

4.57

-2.01

2.56
16 YFRIHSRFM

4.81

-2.16

2.65
17 YFRIYSRFM

4.92

-2.15

2.77
18 YFRIHSIFM

5.18

-2.39

2.79
19 FFRIYSKFM

4.7

-1.91

2.79
20 YFRIYSKFM

4.66

-1.73

2.93
21 RFRIHSIFM

5.57

-2.64

2.93
22 FFRIYSIFM

4.17

-1.2

2.97
23 YFRIHSKFM

5.06

-2.06

3.0
24 RFRIHSRFM

5.49

-2.48

3.01
25 YFRIHSRRM

5.55

-2.49

3.06
26 FFRIYSRFM

4.7

-1.54

3.16
27 FFRIHSRFM

5.51

-2.14

3.37
28 FFRIHSIRM

4.8

-0.93

3.87
29 FFRIHSKFM

5.42

-1.52

3.9
30 YFRIHSIRM

5.77

-1.44

4.33

 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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