Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-20.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
poly-Ala
A
A
A
A
A
G
 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 5.874 ΔGbinding -2.037
TOTAL
 3.837
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.276
Van der Waals -4.269 Backbone clash 0.066
Electrostatics 0.112 Helix dipole 0.000
Solvation Polar 3.949 Water bridges 0.000
Solvation Hyd -6.268 Disulfide 0.000
VdW clashes 0.540 Electrost. Kon 0.021
Entropy sc 0.734 Part.cov.bonds 0.000
Entropy mc

4.142

 ΔGstability

61.119
       

Predicted ligand sequences for model [LSB1_1CKB-20.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_1CKB-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPKFRGFHI 0.0
2 RPFFRGFHI 0.0
3 RPKFRGWHI 0.0
4 RPFFRGWWI 0.01
5 RPKFRGWWI 0.01
6 RPFFRGWHI 0.01
7 RPKFRGFWI 0.01
8 RPFFRGFWI 0.01
9 RPYFRGFHI 0.03
10 RPYFRGWHI 0.03
11 RPYFRGFWI 0.03
12 RPYFRGWWI 0.04
13 RPKFRGRHI 0.16
14 RPFFRGRHI 0.17
15 RPKFRGRWI 0.17
16 RPFFRGRWI 0.18
17 RPYFRGRHI 0.19
18 RPYFRGRWI 0.2
19 RPKFRGFSI 0.23
20 RPFFRGFSI 0.24
21 RPFFRGWSI 0.24
22 RPKFRGWSI 0.24
23 RPYFRGFSI 0.26
24 RPYFRGWSI 0.26
25 RRKFRGFHI 0.26
26 RRKFRGWHI 0.27
27 RRKFRGFWI 0.27
28 RRKFRGWWI 0.27
29 RRFFRGFHI 0.27
30 RRFFRGWHI 0.27
31 RRFFRGWWI 0.28
32 RRFFRGFWI 0.28
33 RRYFRGWHI 0.29
34 RRYFRGFHI 0.29
35 RRYFRGWWI 0.3
36 RRYFRGFWI 0.3
37 RPFFRGRSI 0.4
38 RPKFRGRSI 0.4
39 RPKFRGFHF 0.42
40 RPYFRGRSI 0.42
41 RRFFRGRHI 0.43
42 RRKFRGRHI 0.43
43 RPFFRGFHF 0.43
44 RPKFRGWWF 0.43
45 RPFFRGWHF 0.43
46 RPKFRGFWF 0.43
47 RPKFRGWHF 0.43
48 RPFFRGWWF 0.44
49 RRKFRGRWI 0.44
50 RRFFRGRWI 0.44
51 RPFFRGFWF 0.44
52 RPYFRGFHF 0.45
53 RRYFRGRHI 0.45
54 RPYFRGWHF 0.45
55 RRYFRGRWI 0.46
56 RPYFRGFWF 0.46
57 RPYFRGWWF 0.46
58 RPKFRGFHY 0.48
59 RPFFRGFHY 0.48
60 RPKFRGFWY 0.48
61 RPFFRGWHY 0.48
62 RPKFRGWHY 0.48
63 RPFFRGWWY 0.49
64 RPKFRGWWY 0.49
65 RPFFRGFWY 0.49
66 RPYFRGFHY 0.5
67 RRFFRGWSI 0.5
68 RPYFRGWHY 0.5
69 RRKFRGFSI 0.5
70 RRFFRGFSI 0.5
71 RRKFRGWSI 0.5
72 RPYFRGFWY 0.51
73 RPYFRGWWY 0.51
74 RRYFRGFSI 0.52
75 RRYFRGWSI 0.53
76 RPKFRGRHF 0.59
77 RPFFRGRHF 0.59
78 RPKFRGRWF 0.6
79 RPFFRGRWF 0.6
80 RPYFRGRHF 0.61
81 RPYFRGRWF 0.62
82 RPKFRGRHY 0.64
83 RPFFRGRHY 0.64
84 RPKFRGRWY 0.65
85 RPFFRGRWY 0.65
86 RPKFRGFSF 0.66
87 RPFFRGFSF 0.66
88 RRKFRGRSI 0.66
89 RPKFRGWSF 0.66
90 RPYFRGRHY 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPKFRGFSI

4.58

-13.49

-8.91
2 RPYFRGRHI

3.85

-12.06

-8.21
3 RPKFRGRWI

3.74

-11.85

-8.11
4 RPYFRGFHI

2.89

-10.92

-8.03
5 RPFFRGWSI

3.81

-11.62

-7.81
6 RPKFRGFHI

3.36

-11.05

-7.69
7 RPKFRGFWI

3.88

-11.42

-7.54
8 RPKFRGWWI

2.96

-10.29

-7.33
9 RPYFRGWWI

3.38

-10.66

-7.28
10 RPKFRGWSI

3.95

-10.92

-6.97
11 RPFFRGRWI

4.67

-11.49

-6.82
12 RPYFRGWHI

2.99

-9.68

-6.69
13 RPFFRGRHI

3.04

-9.67

-6.63
14 RPYFRGRWI

4.52

-11.09

-6.57
15 RPYFRGFWI

4.29

-10.66

-6.37
16 RPKFRGRHI

4.73

-10.84

-6.11
17 RPFFRGWWI

3.95

-9.95

-6.0
18 RRKFRGWHI

4.4

-10.38

-5.98
19 RPYFRGWSI

4.19

-10.09

-5.9
20 RRKFRGFWI

3.98

-9.78

-5.8
21 RPFFRGFSI

4.19

-9.91

-5.72
22 RPFFRGWHI

5.92

-11.41

-5.49
23 RPFFRGFHI

5.05

-9.67

-4.62
24 RPKFRGWHI

5.19

-9.57

-4.38
25 RRKFRGFHI

5.74

-9.93

-4.19
26 RPYFRGFSI

4.97

-8.49

-3.52
27 RRFFRGFHI

4.92

-8.31

-3.39
28 RRKFRGWWI

4.33

-7.63

-3.3
29 RPFFRGFWI

3.85

-6.49

-2.64
30 RRFFRGWHI

7.49

-9.65

-2.16

 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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