Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala 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 1.657 ΔGbinding -1.861
TOTAL
 -0.204
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.640
Van der Waals -3.310 Backbone clash 0.181
Electrostatics 0.162 Helix dipole 0.000
Solvation Polar 3.550 Water bridges 0.028
Solvation Hyd -4.553 Disulfide 0.000
VdW clashes 0.027 Electrost. Kon 0.203
Entropy sc 0.667 Part.cov.bonds 0.000
Entropy mc

3.274

 ΔGstability

10.634
       

Predicted ligand sequences for model [YSC84_2A08-9.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_2A08-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPWRVWFR 0.0
2 RPWRVPFR 0.0
3 RPWIVPFR 0.01
4 RPWIVWFR 0.01
5 RPWRVFFR 0.04
6 RPWIVFFR 0.05
7 RPWRMWFR 0.07
8 RPWRMPFR 0.07
9 RPWIMWFR 0.08
10 RPWIMPFR 0.08
11 RPWMVWFR 0.11
12 RPWRMFFR 0.11
13 RPWMVPFR 0.11
14 RPWIMFFR 0.12
15 RPWMVFFR 0.15
16 RPWMMPFR 0.18
17 RPWMMWFR 0.18
18 RPWRVWLR 0.21
19 RPWRVPLR 0.21
20 RPWMMFFR 0.22
21 RPWIVWLR 0.22
22 RPWIVPLR 0.22
23 RPPRVWFR 0.24
24 RPPRVPFR 0.24
25 RPWRVFLR 0.24
26 RPPIVWFR 0.25
27 RPPIVPFR 0.25
28 FPWRVWFR 0.26
29 RPWIVFLR 0.26
30 FPWRVPFR 0.26
31 FPWIVWFR 0.27
32 FPWIVPFR 0.27
33 RPWRMWLR 0.28
34 RPPRVFFR 0.28
35 RPWRMPLR 0.28
36 RPWIMPLR 0.29
37 FPWRVFFR 0.29
38 RPWIMWLR 0.29
39 RPPIVFFR 0.29
40 RPFRVPFR 0.3
41 FPWIVFFR 0.3
42 RPFRVWFR 0.3
43 RPPRMWFR 0.31
44 RPPRMPFR 0.31
45 RPFIVWFR 0.31
46 RPFIVPFR 0.31
47 RPWIMFLR 0.32
48 RPPIMWFR 0.32
49 RPWMVPLR 0.32
50 RPWRMFLR 0.32
51 RPPIMPFR 0.32
52 RPWRPPFR 0.32
53 RPWMVWLR 0.32
54 FPWRMWFR 0.33
55 FPWRMPFR 0.33
56 RPWRPWFR 0.33
57 RPFRVFFR 0.33
58 RPWIPPFR 0.33
59 RPFIVFFR 0.34
60 FPWIMPFR 0.34
61 FPWIMWFR 0.34
62 RPWIPWFR 0.34
63 RPPRMFFR 0.35
64 RPPMVWFR 0.35
65 RPPMVPFR 0.35
66 RPWMVFLR 0.36
67 RPPIMFFR 0.36
68 RPWRPFFR 0.36
69 FPWRMFFR 0.36
70 FPWMVWFR 0.37
71 RPFRMPFR 0.37
72 RPWIPFFR 0.37
73 RPFRMWFR 0.37
74 FPWMVPFR 0.37
75 FPWIMFFR 0.37
76 RPFIMPFR 0.38
77 RPFIMWFR 0.38
78 RPWMMPLR 0.39
79 RPWMMWLR 0.39
80 RPWRVPRR 0.39
81 RPPMVFFR 0.39
82 RPFRMFFR 0.4
83 RPWIVPRR 0.4
84 RPWRVWRR 0.4
85 FPWMVFFR 0.4
86 RPFMVPFR 0.41
87 YPWRVPFR 0.41
88 RPWIVWRR 0.41
89 YPWRVWFR 0.41
90 RPFIMFFR 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPWRVFLR

1.53

-11.43

-9.9
2 RPWIVWLR

1.29

-10.85

-9.56
3 FPWRVWFR

1.57

-11.06

-9.49
4 RPWIVFLR

1.3

-10.77

-9.47
5 RPWIVWFR

1.37

-10.74

-9.37
6 RPPRVPFR

2.19

-11.34

-9.15
7 RPWMVWFR

1.65

-10.65

-9.0
8 RPWRVWLR

1.47

-10.36

-8.89
9 RPWIVPLR

1.68

-10.49

-8.81
10 RPPIVPFR

2.44

-10.97

-8.53
11 RPWRVFFR

1.47

-9.9

-8.43
12 RPWRVWFR

1.6

-9.99

-8.39
13 RPWIVFFR

1.3

-9.64

-8.34
14 RPWRMWFR

2.24

-10.58

-8.34
15 RPPIVWFR

1.35

-9.67

-8.32
16 RPWRVPFR

3.16

-11.4

-8.24
17 FPWRVPFR

3.25

-11.47

-8.22
18 RPWMMPFR

2.85

-11.06

-8.21
19 RPWIVPFR

2.97

-11.1

-8.13
20 RPWMVFFR

1.39

-9.39

-8.0
21 RPWRVPLR

2.39

-10.31

-7.92
22 RPWRMPFR

2.11

-9.89

-7.78
23 RPPRVWFR

1.64

-9.32

-7.68
24 RPWIMFFR

2.42

-10.06

-7.64
25 RPWMMWFR

3.39

-10.86

-7.47
26 RPWIMWFR

2.23

-9.62

-7.39
27 RPWMVPFR

3.08

-10.35

-7.27
28 RPWIMPFR

2.28

-9.21

-6.93
29 RPWMMFFR

2.69

-9.54

-6.85
30 RPWRMFFR

3.61

-10.07

-6.46

 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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