Predicted ligand sequences (modelled structure)


ADAN-name: BOI1_1YCS-13.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 9.386 ΔGbinding -0.731
TOTAL
 8.655
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.774
Van der Waals -4.132 Backbone clash 0.121
Electrostatics 0.218 Helix dipole 0.000
Solvation Polar 5.019 Water bridges -0.015
Solvation Hyd -6.024 Disulfide 0.000
VdW clashes 1.206 Electrost. Kon 0.204
Entropy sc 0.659 Part.cov.bonds 0.000
Entropy mc

2.636

 ΔGstability

67.366
       

Predicted ligand sequences for model [BOI1_1YCS-13.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).
 
  BOI1_1YCS-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFFFPWRH 0.0
2 RFYFPWRH 0.1
3 RFWFPWRH 0.17
4 RFFFPFRH 0.2
5 RFFFPWRF 0.21
6 RFFFPYRH 0.23
7 RFYFPFRH 0.3
8 RFYFPWRF 0.31
9 KFFFPWRH 0.32
10 RFYFPYRH 0.33
11 RFFFPWRL 0.34
12 RFWFPFRH 0.37
13 RFWFPWRF 0.38
14 RFFTPWRH 0.39
15 RFWFPYRH 0.4
16 KFYFPWRH 0.42
17 RFFFPFRF 0.42
18 RFYFPWRL 0.44
19 RFFFPYRF 0.45
20 RFYTPWRH 0.49
21 KFWFPWRH 0.49
22 RFWFPWRL 0.51
23 RFYFPFRF 0.52
24 KFFFPFRH 0.52
25 KFFFPWRF 0.53
26 RFFFPFRL 0.54
27 RFYFPYRF 0.54
28 KFFFPYRH 0.55
29 RFWTPWRH 0.56
30 RFFFPYRL 0.57
31 RFFTPFRH 0.59
32 RFWFPFRF 0.59
33 RFFTPWRF 0.6
34 RFWFPYRF 0.61
35 KFYFPFRH 0.62
36 RFFTPYRH 0.62
37 KFYFPWRF 0.63
38 RFYFPFRL 0.64
39 KFYFPYRH 0.65
40 KFFFPWRL 0.66
41 RFYFPYRL 0.67
42 RFYTPFRH 0.69
43 KFWFPFRH 0.69
44 RFYTPWRF 0.7
45 KFWFPWRF 0.7
46 KFFTPWRH 0.71
47 RFWFPFRL 0.71
48 RFYTPYRH 0.72
49 KFWFPYRH 0.72
50 RFFTPWRL 0.73
51 RFWFPYRL 0.74
52 KFFFPFRF 0.74
53 RFWTPFRH 0.76
54 KFYFPWRL 0.76
55 RFWTPWRF 0.77
56 KFFFPYRF 0.77
57 RFWTPYRH 0.79
58 RFFTPFRF 0.81
59 KFYTPWRH 0.81
60 KFYFPFRF 0.83
61 RFYTPWRL 0.83
62 KFWFPWRL 0.83
63 RFFTPYRF 0.84
64 KFFFPFRL 0.86
65 KFYFPYRF 0.86
66 KFWTPWRH 0.88
67 KFFFPYRL 0.89
68 RFWTPWRL 0.9
69 RFYTPFRF 0.91
70 KFWFPFRF 0.91
71 KFFTPFRH 0.91
72 RFYTPYRF 0.93
73 KFFTPWRF 0.93
74 KFWFPYRF 0.93
75 RFFTPFRL 0.93
76 KFFTPYRH 0.94
77 KFYFPFRL 0.96
78 RFFTPYRL 0.96
79 RFWTPFRF 0.98
80 KFYFPYRL 0.99
81 KFYTPFRH 1.01
82 RFWTPYRF 1.01
83 KFYTPWRF 1.02
84 RFYTPFRL 1.03
85 KFWFPFRL 1.03
86 KFYTPYRH 1.04
87 KFFTPWRL 1.05
88 RFYTPYRL 1.06
89 KFWFPYRL 1.06
90 KFWTPFRH 1.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFFFPWRF

5.17

-10.14

-4.97
2 RFYFPYRH

5.82

-10.38

-4.56
3 RFFFPWRH

5.36

-9.71

-4.35
4 RFFFPFRH

5.01

-9.29

-4.28
5 KFFFPWRF

5.63

-9.82

-4.19
6 RFWFPWRL

6.15

-10.3

-4.15
7 RFWFPYRH

5.52

-9.52

-4.0
8 RFYFPWRF

6.53

-10.5

-3.97
9 RFYFPYRF

5.43

-9.32

-3.89
10 KFFFPYRH

5.98

-9.79

-3.81
11 RFFFPYRH

6.52

-10.05

-3.53
12 RFYFPFRH

6.07

-9.49

-3.42
13 RFFFPWRL

6.63

-9.77

-3.14
14 RFWTPWRH

6.01

-9.14

-3.13
15 RFYFPFRF

6.53

-9.65

-3.12
16 KFFFPFRH

6.56

-9.67

-3.11
17 RFFFPYRL

5.64

-8.59

-2.95
18 RFFFPFRL

5.03

-7.87

-2.84
19 RFFTPWRH

6.16

-8.75

-2.59
20 RFWFPFRH

6.78

-9.2

-2.42
21 RFWFPWRF

6.55

-8.92

-2.37
22 RFWFPWRH

7.39

-9.7

-2.31
23 RFFFPYRF

5.44

-7.6

-2.16
24 RFYFPWRH

6.63

-8.76

-2.13
25 KFWFPWRH

6.87

-8.78

-1.91
26 KFYFPWRH

6.51

-8.36

-1.85
27 RFYFPWRL

7.82

-9.64

-1.82
28 RFFFPFRF

6.82

-8.28

-1.46
29 RFYTPWRH

7.48

-8.62

-1.14
30 KFFFPWRH

6.69

-7.54

-0.85

 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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