Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-2.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 4.970 ΔGbinding 7.112
TOTAL
 12.082
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 1.979
Van der Waals -4.747 Backbone clash 0.033
Electrostatics -0.172 Helix dipole 0.000
Solvation Polar 4.428 Water bridges -0.000
Solvation Hyd -7.216 Disulfide 0.000
VdW clashes 9.821 Electrost. Kon -0.250
Entropy sc 0.627 Part.cov.bonds 0.000
Entropy mc

2.641

 ΔGstability

27.019
       

Predicted ligand sequences for model [LSB3_CKB-OOT-2.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).
 
  LSB3_CKB-OOT-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRRKHRRKR 0.0
2 RWRRPHRRKR 0.0
3 RWRRRHRRKR 0.03
4 RWPRPHRRKR 0.15
5 RWRRKHRPKR 0.16
6 RWRRPHRPKR 0.16
7 RWPRKHRRKR 0.16
8 RWRRRHRPKR 0.18
9 RWPRRHRRKR 0.18
10 RWKRPHRRKR 0.18
11 RWKRKHRRKR 0.19
12 RWKRRHRRKR 0.21
13 RWRRPHRDKR 0.23
14 RWRRKHRDKR 0.24
15 RWRRPHRRKH 0.25
16 RWRRKHRRKH 0.26
17 RWRRRHRDKR 0.26
18 RWRRRHRRKH 0.28
19 RWRRPHRRKW 0.3
20 RWRRKHRRKW 0.31
21 RWPRPHRPKR 0.31
22 RWPRKHRPKR 0.32
23 RWRRRHRRKW 0.33
24 RWPRRHRPKR 0.34
25 RWKRPHRPKR 0.34
26 RWKRKHRPKR 0.35
27 RWKRRHRPKR 0.37
28 RWPRKHRDKR 0.39
29 RWPRPHRDKR 0.39
30 RWRRPHIRKR 0.4
31 RWPRRHRDKR 0.41
32 RWRRPHRPKH 0.41
33 RWPRPHRRKH 0.41
34 RWPRKHRRKH 0.41
35 RWRRKHIRKR 0.41
36 RWKRKHRDKR 0.42
37 RWRRKHRPKH 0.42
38 RWKRPHRDKR 0.42
39 RWRRRHIRKR 0.43
40 RWPRRHRRKH 0.43
41 RWRRRHRPKH 0.44
42 RWKRRHRDKR 0.44
43 RWKRKHRRKH 0.44
44 RWKRPHRRKH 0.44
45 RWRRPHRPKW 0.46
46 RWPRPHRRKW 0.46
47 RWKRRHRRKH 0.46
48 RWPRKHRRKW 0.46
49 RWRRKHRPKW 0.47
50 RWRRPHRDKH 0.48
51 RWPRRHRRKW 0.48
52 RWKRKHRRKW 0.49
53 RWRRKHRDKH 0.49
54 RWKRPHRRKW 0.49
55 RWRRRHRPKW 0.49
56 RWRRRHRDKH 0.51
57 RWKRRHRRKW 0.51
58 RWRRPHRDKW 0.54
59 RWRRKHRDKW 0.54
60 RWRRPHIPKR 0.56
61 RWRRRHRDKW 0.56
62 RWPRPHRPKH 0.56
63 RWPRPHIRKR 0.56
64 RWPRKHIRKR 0.56
65 RWPRKHRPKH 0.57
66 RWRRKHIPKR 0.57
67 RWPRRHIRKR 0.58
68 RWKRKHIRKR 0.59
69 RWRRRHIPKR 0.59
70 RWKRPHIRKR 0.59
71 RWPRRHRPKH 0.59
72 RWKRKHRPKH 0.6
73 RWKRPHRPKH 0.6
74 RWKRRHIRKR 0.61
75 RWPRPHRPKW 0.62
76 RWKRRHRPKH 0.62
77 RWPRKHRPKW 0.62
78 RWRRPHIDKR 0.63
79 RWPRKHRDKH 0.64
80 RWRRKHIDKR 0.64
81 RWPRPHRDKH 0.64
82 RWPRRHRPKW 0.64
83 RWRRPHIRKH 0.65
84 RWKRKHRPKW 0.65
85 RWKRPHRPKW 0.65
86 RWPRRHRDKH 0.66
87 RWRRRHIDKR 0.66
88 RWRRKHIRKH 0.66
89 RWKRKHRDKH 0.67
90 RWKRRHRPKW 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWRRRHRDKR

3.09

-5.84

-2.75
2 RWRRPHIRKR

6.28

-7.33

-1.05
3 RWRRRHRRKR

5.07

-5.35

-0.28
4 RWRRRHRPKR

6.15

-5.85

0.3
5 RWRRPHRPKR

4.03

-2.76

1.27
6 RWKRPHRRKR

3.9

-2.3

1.6
7 RWRRKHRPKR

5.76

-4.13

1.63
8 RWKRRHRPKR

4.13

-2.5

1.63
9 RWKRPHRPKR

4.32

-2.69

1.63
10 RWRRPHRRKH

5.63

-3.75

1.88
11 RWPRKHRPKR

5.05

-3.11

1.94
12 RWPRRHRRKR

4.08

-2.07

2.01
13 RWPRPHRPKR

4.02

-1.88

2.14
14 RWPRPHRDKR

5.12

-2.95

2.17
15 RWRRPHRDKR

6.13

-3.96

2.17
16 RWKRKHRPKR

5.84

-3.59

2.25
17 RWPRKHRDKR

4.63

-2.16

2.47
18 RWRRKHRRKR

5.04

-2.39

2.65
19 RWRRPHRRKW

3.93

-1.28

2.65
20 RWRRRHRRKW

6.18

-3.52

2.66
21 RWPRRHRPKR

5.34

-2.52

2.82
22 RWRRKHRRKW

4.71

-1.73

2.98
23 RWRRKHRDKR

7.42

-4.35

3.07
24 RWRRRHRRKH

5.31

-2.15

3.16
25 RWKRRHRRKR

4.54

-1.16

3.38
26 RWKRKHRRKR

6.22

-2.76

3.46
27 RWPRKHRRKR

5.14

-1.44

3.7
28 RWPRPHRRKR

6.62

-2.62

4.0
29 RWRRPHRRKR

5.76

-1.05

4.71
30 RWRRKHRRKH

7.3

-2.01

5.29

 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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