Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-7.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
G
 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 0.264 ΔGbinding -2.207
TOTAL
 -1.943
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.238
Van der Waals -2.927 Backbone clash 0.151
Electrostatics 0.217 Helix dipole 0.000
Solvation Polar 3.183 Water bridges -0.134
Solvation Hyd -4.070 Disulfide 0.000
VdW clashes 0.235 Electrost. Kon 0.300
Entropy sc 0.451 Part.cov.bonds 0.000
Entropy mc

1.575

 ΔGstability

10.550
       

Predicted ligand sequences for model [LSB3_2A08-7.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_2A08-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPPRVFRR 0.0
2 MPPRRFRR 0.01
3 MPRRVFRR 0.07
4 MDPRVFRR 0.07
5 MPRRRFRR 0.08
6 MDPRRFRR 0.08
7 MDRRVFRR 0.14
8 MPHRVFRR 0.14
9 MPHRRFRR 0.15
10 MPPIVFRR 0.15
11 MDRRRFRR 0.15
12 MPPIRFRR 0.16
13 MDHRVFRR 0.21
14 MDHRRFRR 0.22
15 MSPRVFRR 0.22
16 MDPIVFRR 0.22
17 MPRIVFRR 0.22
18 MSPRRFRR 0.23
19 MPRIRFRR 0.23
20 MDPIRFRR 0.23
21 MPHIVFRR 0.29
22 MSRRVFRR 0.29
23 MDRIVFRR 0.29
24 MDRIRFRR 0.3
25 MPHIRFRR 0.3
26 MSRRRFRR 0.3
27 MDHIVFRR 0.36
28 MSHRVFRR 0.36
29 MSHRRFRR 0.37
30 MDHIRFRR 0.37
31 MSPIVFRR 0.37
32 MSPIRFRR 0.38
33 MPPRVPRR 0.39
34 MPPRVFRW 0.4
35 MPPRRPRR 0.4
36 MPPRRFRW 0.41
37 MSRIVFRR 0.44
38 MPPRMFRR 0.45
39 MPPKVFRR 0.45
40 MSRIRFRR 0.45
41 RPPRVFRR 0.45
42 MPPRVFRH 0.46
43 RPPRRFRR 0.46
44 MPPKRFRR 0.46
45 MPRRVPRR 0.46
46 MDPRVPRR 0.46
47 MPRRVFRW 0.47
48 MDPRRPRR 0.47
49 MDPRVFRW 0.47
50 MPRRRPRR 0.47
51 MPPRRFRH 0.47
52 MPRRRFRW 0.48
53 MDPRRFRW 0.48
54 MSHIVFRR 0.51
55 MDPKVFRR 0.52
56 MPRKVFRR 0.52
57 RDPRVFRR 0.52
58 MPRKRFRR 0.52
59 MPRRMFRR 0.52
60 RPRRVFRR 0.52
61 MSHIRFRR 0.52
62 MPRRVFRH 0.53
63 RPRRRFRR 0.53
64 MDPRMFRR 0.53
65 MDPRVFRH 0.53
66 MPHRVPRR 0.53
67 RDPRRFRR 0.53
68 MDPKRFRR 0.53
69 MDRRVPRR 0.53
70 MPRRRFRH 0.54
71 MDRRRPRR 0.54
72 MDPRRFRH 0.54
73 MDRRVFRW 0.54
74 MPPIVPRR 0.54
75 MPHRRPRR 0.54
76 MPHRVFRW 0.54
77 MPPIRPRR 0.55
78 MPPIVFRW 0.55
79 MPHRRFRW 0.55
80 MDRRRFRW 0.55
81 MPPIRFRW 0.56
82 MPHKVFRR 0.58
83 MPHRMFRR 0.59
84 MDRRMFRR 0.59
85 MPHKRFRR 0.59
86 RDRRVFRR 0.59
87 RPHRVFRR 0.59
88 MDRKVFRR 0.59
89 RPHRRFRR 0.6
90 MDHRVPRR 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRRVFRR

1.64

-9.31

-7.67
2 MDRRVFRR

1.83

-9.38

-7.55
3 MPPRVFRR

1.62

-9.01

-7.39
4 MPRIVFRR

2.2

-9.51

-7.31
5 MPRIRFRR

2.29

-9.13

-6.84
6 MPPIVFRR

2.06

-8.7

-6.64
7 MPHRVFRR

1.84

-8.44

-6.6
8 MDRIVFRR

2.27

-8.82

-6.55
9 MSRRVFRR

2.55

-8.86

-6.31
10 MPRRRFRR

2.6

-8.88

-6.28
11 MPPIRFRR

2.0

-8.27

-6.27
12 MSPRVFRR

2.03

-8.24

-6.21
13 MPHIRFRR

1.72

-7.86

-6.14
14 MDHRVFRR

1.62

-7.56

-5.94
15 MDPIVFRR

2.04

-7.82

-5.78
16 MPPRRFRR

1.97

-7.74

-5.77
17 MSHRVFRR

2.13

-7.8

-5.67
18 MDHIVFRR

1.83

-7.5

-5.67
19 MDPRVFRR

2.13

-7.78

-5.65
20 MDRIRFRR

2.05

-7.69

-5.64
21 MPHIVFRR

2.12

-7.63

-5.51
22 MSRRRFRR

2.6

-8.08

-5.48
23 MPHRRFRR

2.18

-7.28

-5.1
24 MSPRRFRR

2.36

-7.34

-4.98
25 MDPRRFRR

2.25

-7.19

-4.94
26 MSHRRFRR

2.28

-7.17

-4.89
27 MDPIRFRR

1.78

-6.61

-4.83
28 MDHRRFRR

2.23

-6.69

-4.46
29 MDRRRFRR

2.42

-6.71

-4.29
30 MDHIRFRR

2.33

-6.38

-4.05

 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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