Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-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 1.637 ΔGbinding -0.089
TOTAL
 1.548
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.148
Van der Waals -3.906 Backbone clash 0.130
Electrostatics 0.358 Helix dipole 0.000
Solvation Polar 3.743 Water bridges -0.027
Solvation Hyd -5.746 Disulfide 0.000
VdW clashes 2.288 Electrost. Kon 0.399
Entropy sc 0.758 Part.cov.bonds 0.000
Entropy mc

3.171

 ΔGstability

16.665
       

Predicted ligand sequences for model [LSB3_1OOT-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).
 
  LSB3_1OOT-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFMDGRNR 0.0
2 FPYMDGRNR 0.01
3 FPRMDGRNR 0.02
4 RPFMDGRNR 0.11
5 RPYMDGRNR 0.12
6 RPRMDGRNR 0.13
7 FPFMDGKNR 0.23
8 FPYMDGKNR 0.24
9 FPRMDGKNR 0.25
10 FPFMDGYNR 0.26
11 FPFMHGRNR 0.26
12 FDFMDGRNR 0.27
13 FPYMDGYNR 0.27
14 FDYMDGRNR 0.28
15 FDRMDGRNR 0.28
16 FPRMDGYNR 0.28
17 FPRMHGRNR 0.28
18 FPYMHGRNR 0.28
19 RPFMDGKNR 0.34
20 RPYMDGKNR 0.35
21 RPRMDGKNR 0.36
22 RPFMDGYNR 0.37
23 RPYMDGYNR 0.38
24 RDFMDGRNR 0.38
25 RPFMHGRNR 0.38
26 RDRMDGRNR 0.39
27 RPRMDGYNR 0.39
28 RDYMDGRNR 0.39
29 RPRMHGRNR 0.39
30 RPYMHGRNR 0.39
31 WPFMDGRNR 0.4
32 WPRMDGRNR 0.42
33 WPYMDGRNR 0.42
34 FPFMFGRNR 0.45
35 FPYMFGRNR 0.46
36 FPRMFGRNR 0.47
37 FDFMDGKNR 0.5
38 FPFMHGKNR 0.5
39 FPYMHGKNR 0.51
40 FPRMHGKNR 0.51
41 FDYMDGKNR 0.51
42 FDRMDGKNR 0.52
43 FPFMHGYNR 0.52
44 FDFMDGYNR 0.52
45 FPYMHGYNR 0.53
46 FDFMHGRNR 0.53
47 FDYMDGYNR 0.53
48 FPRMHGYNR 0.54
49 FDRMDGYNR 0.54
50 FDYMHGRNR 0.54
51 FDRMHGRNR 0.55
52 RPFMFGRNR 0.56
53 RPYMFGRNR 0.57
54 RPRMFGRNR 0.58
55 RDFMDGKNR 0.61
56 RPFMHGKNR 0.61
57 RPYMHGKNR 0.62
58 RPRMHGKNR 0.62
59 RDYMDGKNR 0.62
60 RPFMHGYNR 0.63
61 RDFMDGYNR 0.63
62 RDRMDGKNR 0.63
63 RDFMHGRNR 0.64
64 RPYMHGYNR 0.64
65 RDYMDGYNR 0.64
66 WPFMDGKNR 0.64
67 RDYMHGRNR 0.65
68 RPRMHGYNR 0.65
69 RDRMDGYNR 0.65
70 WPRMDGKNR 0.65
71 WPYMDGKNR 0.65
72 WPFMDGYNR 0.66
73 RDRMHGRNR 0.66
74 WPFMHGRNR 0.67
75 WDFMDGRNR 0.67
76 WPYMDGYNR 0.67
77 FPFMFGKNR 0.68
78 WPRMDGYNR 0.68
79 WPYMHGRNR 0.68
80 WDYMDGRNR 0.68
81 WPRMHGRNR 0.69
82 WDRMDGRNR 0.69
83 FPYMFGKNR 0.69
84 FPRMFGKNR 0.7
85 FPFMFGYNR 0.71
86 FDFMFGRNR 0.71
87 FPRMFGYNR 0.72
88 FPYMFGYNR 0.72
89 FDYMFGRNR 0.73
90 FDRMFGRNR 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPFMDGKNR

1.48

-8.82

-7.34
2 FPYMDGYNR

1.47

-8.75

-7.28
3 FPRMDGKNR

1.57

-8.71

-7.14
4 FPRMDGRNR

1.37

-8.51

-7.14
5 FDYMDGRNR

1.38

-8.37

-6.99
6 RPYMDGRNR

1.66

-8.61

-6.95
7 FPYMDGKNR

1.67

-8.47

-6.8
8 RPYMDGYNR

1.67

-8.47

-6.8
9 FPYMHGRNR

1.17

-7.96

-6.79
10 FPRMHGRNR

1.64

-8.37

-6.73
11 FPFMHGRNR

1.44

-8.09

-6.65
12 RPRMDGKNR

1.44

-8.0

-6.56
13 RDRMDGRNR

1.74

-8.21

-6.47
14 RPFMDGKNR

1.51

-7.96

-6.45
15 RPRMDGRNR

1.59

-7.97

-6.38
16 FPYMDGRNR

1.46

-7.64

-6.18
17 RPYMDGKNR

1.82

-7.98

-6.16
18 RPFMDGRNR

1.85

-7.84

-5.99
19 FDFMDGRNR

1.36

-7.35

-5.99
20 RPFMHGRNR

1.74

-7.7

-5.96
21 FPRMDGYNR

1.6

-7.43

-5.83
22 FPFMDGRNR

1.95

-7.64

-5.69
23 RPRMHGRNR

2.01

-7.5

-5.49
24 RDFMDGRNR

1.82

-7.24

-5.42
25 FDRMDGRNR

1.69

-7.02

-5.33
26 RPYMHGRNR

1.89

-7.1

-5.21
27 FPFMDGYNR

1.69

-6.81

-5.12
28 RPRMDGYNR

1.82

-6.91

-5.09
29 RDYMDGRNR

1.74

-6.62

-4.88
30 RPFMDGYNR

1.59

-6.18

-4.59

 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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