Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_CKB-OOT-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 0.834 ΔGbinding -1.150
TOTAL
 -0.316
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.452
Van der Waals -3.438 Backbone clash 0.182
Electrostatics 0.241 Helix dipole 0.000
Solvation Polar 4.177 Water bridges -0.237
Solvation Hyd -4.330 Disulfide 0.000
VdW clashes 2.049 Electrost. Kon 0.312
Entropy sc 0.998 Part.cov.bonds 0.000
Entropy mc

2.452

 ΔGstability

13.443
       

Predicted ligand sequences for model [LSB3_CKB-OOT-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).
 
  LSB3_CKB-OOT-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 KEYFPPRW 0.0
2 KEYFPRRW 0.04
3 REYFPPRW 0.14
4 KEYFDPRW 0.15
5 KEPFPPRW 0.15
6 FEYFPPRW 0.17
7 REYFPRRW 0.18
8 KEYFPFRW 0.19
9 KEPFPRRW 0.2
10 KEYFDRRW 0.2
11 FEYFPRRW 0.22
12 KEYWPPRW 0.24
13 KEYFMPRW 0.29
14 REPFPPRW 0.29
15 REYFDPRW 0.29
16 KEYWPRRW 0.29
17 KEPFDPRW 0.3
18 FEPFPPRW 0.32
19 FEYFDPRW 0.32
20 KEEFPPRW 0.32
21 KEYFMRRW 0.33
22 REYFDRRW 0.33
23 REPFPRRW 0.33
24 REYFPFRW 0.33
25 KEPFPFRW 0.34
26 KRYFPPRW 0.34
27 KEYFDFRW 0.34
28 KEPFDRRW 0.35
29 KEEFPRRW 0.36
30 FEYFPFRW 0.36
31 KEYYPPRW 0.37
32 FEYFDRRW 0.37
33 FEPFPRRW 0.37
34 REYWPPRW 0.38
35 KRYFPRRW 0.39
36 KEYWDPRW 0.39
37 KEPWPPRW 0.39
38 KEYYPRRW 0.41
39 FEYWPPRW 0.41
40 REYWPRRW 0.42
41 REYFMPRW 0.42
42 KEYWPFRW 0.43
43 KEPFMPRW 0.44
44 REPFDPRW 0.44
45 KEPWPRRW 0.44
46 KEYWDRRW 0.44
47 REEFPPRW 0.45
48 FEYWPRRW 0.46
49 FEYFMPRW 0.46
50 KEEFDPRW 0.47
51 REYFMRRW 0.47
52 FEPFDPRW 0.47
53 REPFPFRW 0.48
54 REPFDRRW 0.48
55 KEYFMFRW 0.48
56 REYFDFRW 0.48
57 KEPFMRRW 0.48
58 RRYFPPRW 0.48
59 KRYFDPRW 0.49
60 KEPFDFRW 0.49
61 FEEFPPRW 0.49
62 KRPFPPRW 0.5
63 KEYFPPRI 0.5
64 REYYPPRW 0.5
65 REEFPRRW 0.5
66 FEYFMRRW 0.5
67 FEYFDFRW 0.51
68 KEEFPFRW 0.51
69 KEEFDRRW 0.51
70 FEPFPFRW 0.51
71 FRYFPPRW 0.52
72 KEPYPPRW 0.52
73 FEPFDRRW 0.52
74 KEYYDPRW 0.52
75 KEYWMPRW 0.53
76 REPWPPRW 0.53
77 KRYFPFRW 0.53
78 RRYFPRRW 0.53
79 REYWDPRW 0.53
80 KEYFPRRI 0.54
81 KEPWDPRW 0.54
82 KRPFPRRW 0.54
83 FEYYPPRW 0.54
84 KRYFDRRW 0.54
85 FEEFPRRW 0.54
86 REYYPRRW 0.55
87 FEPWPPRW 0.56
88 FRYFPRRW 0.56
89 KEYYDRRW 0.56
90 KEPYPRRW 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEPFPPRW

2.28

-12.53

-10.25
2 REPFPRRW

1.7

-11.91

-10.21
3 KEPFPRRW

2.01

-12.08

-10.07
4 REPFPPRW

1.91

-11.55

-9.64
5 KEPFPFRW

1.72

-11.15

-9.43
6 KEPFPPRW

2.46

-11.83

-9.37
7 FEYFPRRW

2.54

-11.9

-9.36
8 REYFPRRW

2.02

-11.32

-9.3
9 KRYFPPRW

1.79

-11.05

-9.26
10 FEYFPFRW

2.06

-11.29

-9.23
11 KEYWPRRW

2.06

-11.26

-9.2
12 KEEFPRRW

2.43

-11.23

-8.8
13 KEYWPPRW

1.82

-10.6

-8.78
14 KEYFPRRW

2.39

-10.93

-8.54
15 REYFPFRW

2.87

-11.31

-8.44
16 KEYFPPRW

2.59

-10.96

-8.37
17 REYFPPRW

2.66

-10.99

-8.33
18 FEYFPPRW

2.74

-10.88

-8.14
19 KEYFPFRW

2.73

-10.82

-8.09
20 KEYFMRRW

2.05

-9.87

-7.82
21 KEEFPPRW

3.42

-11.2

-7.78
22 FEYFDPRW

1.95

-9.39

-7.44
23 KEPFDPRW

2.09

-8.93

-6.84
24 KEPFDRRW

2.11

-8.86

-6.75
25 KEYFDRRW

1.9

-8.56

-6.66
26 REYFDPRW

2.32

-8.95

-6.63
27 KEYFDPRW

2.86

-9.44

-6.58
28 REYFDRRW

2.53

-8.9

-6.37
29 KEYFDFRW

2.02

-8.01

-5.99
30 KEYFMPRW

2.71

-8.3

-5.59

 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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