Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-1.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 10
poly-Ala
A
A
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 12.521 ΔGbinding -1.476
TOTAL
 11.045
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 2.274
Van der Waals -5.209 Backbone clash 0.619
Electrostatics -0.112 Helix dipole 0.000
Solvation Polar 6.004 Water bridges -0.017
Solvation Hyd -7.633 Disulfide 0.000
VdW clashes 2.596 Electrost. Kon -0.131
Entropy sc 1.541 Part.cov.bonds 0.000
Entropy mc

3.035

 ΔGstability

40.315
       

Predicted ligand sequences for model [LSB1_1CKA-1.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).
 
  LSB1_1CKA-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRRFKFPRVY 0.0
2 WRRHKFPRVY 0.05
3 WRRFKKPRVY 0.06
4 WRRFKLPRVY 0.09
5 WRRHKKPRVY 0.11
6 WRRFKFPRKY 0.13
7 WRRFKFPRVW 0.14
8 WRRHKLPRVY 0.14
9 WRRHKFPRKY 0.18
10 WRRHKFPRVW 0.19
11 WRRFKKPRKY 0.19
12 WRRFKKPRVW 0.2
13 WRRFKLPRKY 0.22
14 WRRFPFPRVY 0.22
15 WRRFKLPRVW 0.23
16 WRRHKKPRKY 0.24
17 WRRHKKPRVW 0.25
18 WRRFKFPRKW 0.27
19 WRRHKLPRKY 0.27
20 WRRHPFPRVY 0.27
21 WRRFMFPRVY 0.28
22 WRRHKLPRVW 0.28
23 WRRFPKPRVY 0.29
24 WRRHKFPRKW 0.32
25 WRRFPLPRVY 0.32
26 WRRHPKPRVY 0.33
27 WRRHMFPRVY 0.33
28 WRRFKKPRKW 0.33
29 WRRFMKPRVY 0.34
30 WRRFPFPRKY 0.35
31 WRRHPLPRVY 0.36
32 WRRFKLPRKW 0.36
33 WRRFPFPRVW 0.36
34 WRRFMLPRVY 0.37
35 WRRHKKPRKW 0.38
36 WRRFKFPRPY 0.38
37 WRRHMKPRVY 0.39
38 FRRFKFPRVY 0.4
39 WRRHPFPRKY 0.4
40 WRRFMFPRKY 0.41
41 WRRHKLPRKW 0.41
42 WRRHPFPRVW 0.41
43 WRRHMLPRVY 0.42
44 WRRFPKPRVW 0.42
45 WRRFPKPRKY 0.42
46 WRRFMFPRVW 0.42
47 WRRHKFPRPY 0.43
48 WRRLKFPRVY 0.44
49 WRRFKKPRPY 0.44
50 WRRFPLPRKY 0.45
51 FRRHKFPRVY 0.45
52 WRRFPLPRVW 0.45
53 WRRHPKPRKY 0.46
54 WRRHMFPRKY 0.46
55 FRRFKKPRVY 0.46
56 WRRHPKPRVW 0.47
57 WRRFMKPRKY 0.47
58 WRRHMFPRVW 0.47
59 WRRFKLPRPY 0.47
60 WRRFMKPRVW 0.48
61 WRRHPLPRKY 0.49
62 WRRFPFPRKW 0.49
63 FRRFKLPRVY 0.49
64 WRRHKKPRPY 0.49
65 WRRFKFPRVF 0.49
66 WRRLKKPRVY 0.5
67 WRRHPLPRVW 0.5
68 WRRFMLPRKY 0.5
69 FRRHKKPRVY 0.51
70 WRRFMLPRVW 0.51
71 WRRHMKPRKY 0.52
72 WRRFKFPRPW 0.52
73 WRRHKLPRPY 0.52
74 FRRFKFPRKY 0.53
75 WRRHMKPRVW 0.53
76 WRRLKLPRVY 0.53
77 WRRHKFPRVF 0.54
78 FRRHKLPRVY 0.54
79 FRRFKFPRVW 0.54
80 WRRHPFPRKW 0.54
81 WRRHMLPRKY 0.55
82 WRRFMFPRKW 0.55
83 WRRFKKPRVF 0.55
84 WRRFPKPRKW 0.55
85 WRRHMLPRVW 0.56
86 WRRLKFPRKY 0.57
87 WRRHKFPRPW 0.57
88 WRRFKLPRVF 0.58
89 WRRFPLPRKW 0.58
90 WRRLKFPRVW 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRFPLPRVY

7.05

-9.92

-2.87
2 WRRHKLPRVW

6.15

-8.31

-2.16
3 WRRHKKPRVW

8.5

-10.49

-1.99
4 WRRFKFPRVY

8.84

-10.67

-1.83
5 WRRFKKPRVY

8.05

-9.84

-1.79
6 WRRFKKPRKY

7.02

-8.71

-1.69
7 WRRFKFPRKY

9.2

-10.58

-1.38
8 WRRFMKPRVY

9.09

-10.31

-1.22
9 WRRHKFPRVW

7.75

-8.96

-1.21
10 WRRHKKPRKY

7.98

-9.11

-1.13
11 WRRHKLPRVY

6.5

-7.57

-1.07
12 WRRFKFPRKW

8.82

-9.58

-0.76
13 WRRHKLPRKY

10.16

-10.74

-0.58
14 WRRFPFPRVY

9.48

-10.02

-0.54
15 WRRFMFPRVY

7.35

-7.6

-0.25
16 WRRHKKPRVY

10.08

-10.13

-0.05
17 WRRFKLPRVY

8.21

-8.14

0.07
18 WRRHKFPRVY

10.01

-9.69

0.32
19 WRRFPFPRKY

9.93

-9.55

0.38
20 WRRFKLPRVW

6.22

-5.59

0.63
21 WRRHPFPRVY

9.59

-8.76

0.83
22 WRRFKKPRKW

8.24

-7.36

0.88
23 WRRFKKPRVW

9.16

-7.63

1.53
24 WRRHPKPRVY

9.54

-7.82

1.72
25 WRRHKFPRKY

11.27

-8.6

2.67
26 WRRHMFPRVY

11.37

-8.64

2.73
27 WRRFKLPRKY

8.08

-5.35

2.73
28 WRRFKFPRVW

8.25

-5.35

2.9
29 WRRHKFPRKW

11.08

-8.17

2.91
30 WRRFPKPRVY

10.52

-6.16

4.36

 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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