Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-16.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 4.234 ΔGbinding 2.763
TOTAL
 6.997
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.117
Van der Waals -4.372 Backbone clash 0.371
Electrostatics 0.178 Helix dipole 0.000
Solvation Polar 4.249 Water bridges 0.000
Solvation Hyd -6.641 Disulfide 0.000
VdW clashes 4.227 Electrost. Kon 0.018
Entropy sc 0.330 Part.cov.bonds 0.000
Entropy mc

3.656

 ΔGstability

42.052
       

Predicted ligand sequences for model [NBP2_1GCQ-16.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).
 
  NBP2_1GCQ-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHRLKSREG 0.0
2 FHKLKSREG 0.04
3 FHPLKSREG 0.06
4 RHRLKSREG 0.1
5 FHRLPSREG 0.12
6 RHKLKSREG 0.14
7 RHPLKSREG 0.16
8 FHKLPSREG 0.16
9 FHPLPSREG 0.18
10 RHRLPSREG 0.22
11 RHKLPSREG 0.26
12 RHPLPSREG 0.28
13 FHRLRSREG 0.3
14 WHRLKSREG 0.33
15 FHKLRSREG 0.34
16 FHRLKGREG 0.35
17 FHRLKSRHG 0.35
18 WHKLKSREG 0.37
19 FHPLRSREG 0.37
20 FWRLKSREG 0.39
21 FHKLKSRHG 0.39
22 FHKLKGREG 0.39
23 WHPLKSREG 0.39
24 RHRLRSREG 0.4
25 FHPLKSRHG 0.41
26 FHPLKGREG 0.41
27 FWKLKSREG 0.43
28 RHKLRSREG 0.44
29 RHRLKSRHG 0.44
30 RHRLKGREG 0.45
31 WHRLPSREG 0.45
32 FWPLKSREG 0.46
33 RHPLRSREG 0.46
34 FHRLPSRHG 0.47
35 FHRLPGREG 0.47
36 RHKLKSRHG 0.48
37 RHKLKGREG 0.49
38 RWRLKSREG 0.49
39 WHKLPSREG 0.49
40 FHKLPSRHG 0.51
41 FHKLPGREG 0.51
42 RHPLKSRHG 0.51
43 RHPLKGREG 0.51
44 FWRLPSREG 0.52
45 WHPLPSREG 0.52
46 RWKLKSREG 0.53
47 FHPLPSRHG 0.53
48 FHPLPGREG 0.54
49 RWPLKSREG 0.55
50 FWKLPSREG 0.55
51 RHRLPGREG 0.57
52 RHRLPSRHG 0.57
53 FWPLPSREG 0.58
54 RHKLPSRHG 0.6
55 RWRLPSREG 0.61
56 RHKLPGREG 0.61
57 RHPLPGREG 0.63
58 RHPLPSRHG 0.63
59 WHRLRSREG 0.64
60 FHRLRSRHG 0.65
61 RWKLPSREG 0.65
62 FHRLRGREG 0.66
63 WHKLRSREG 0.67
64 RWPLPSREG 0.67
65 WHRLKGREG 0.68
66 WHRLKSRHG 0.68
67 FHKLRSRHG 0.69
68 FHRLKGRHG 0.7
69 FWRLRSREG 0.7
70 WHPLRSREG 0.7
71 FHKLRGREG 0.7
72 FHPLRSRHG 0.72
73 WWRLKSREG 0.72
74 WHKLKGREG 0.72
75 WHKLKSRHG 0.72
76 FHPLRGREG 0.72
77 WHPLKGREG 0.74
78 FHKLKGRHG 0.74
79 WHPLKSRHG 0.74
80 FWKLRSREG 0.74
81 FWRLKGREG 0.74
82 FWRLKSRHG 0.74
83 RHRLRSRHG 0.75
84 RHRLRGREG 0.75
85 FWPLRSREG 0.76
86 WWKLKSREG 0.76
87 FHPLKGRHG 0.76
88 FWKLKGREG 0.78
89 FWKLKSRHG 0.78
90 WWPLKSREG 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FHRLKSRHG

3.63

-9.51

-5.88
2 FHRLKGREG

1.17

-7.0

-5.83
3 FHKLKSRHG

2.76

-8.39

-5.63
4 FHKLKSREG

3.56

-8.89

-5.33
5 RHRLKGREG

2.26

-7.2

-4.94
6 RHKLPSREG

3.77

-8.0

-4.23
7 FHKLKGREG

2.33

-6.5

-4.17
8 FHPLKGREG

2.25

-6.2

-3.95
9 RHKLRSREG

2.86

-6.81

-3.95
10 RHRLKSRHG

4.6

-8.51

-3.91
11 FHPLKSREG

3.05

-6.8

-3.75
12 RHRLRSREG

3.03

-6.76

-3.73
13 FHRLRSREG

3.84

-7.55

-3.71
14 RHPLKSREG

2.78

-6.33

-3.55
15 RHPLPSREG

3.54

-6.88

-3.34
16 FWKLKSREG

3.05

-6.17

-3.12
17 RHKLKSREG

4.09

-6.71

-2.62
18 FHKLRSREG

3.49

-6.0

-2.51
19 FHPLKSRHG

3.15

-5.56

-2.41
20 FHRLKSREG

4.18

-6.57

-2.39
21 RHRLKSREG

3.5

-5.89

-2.39
22 WHRLKSREG

3.43

-5.75

-2.32
23 FWRLKSREG

3.27

-5.49

-2.22
24 FHKLPSREG

3.45

-5.41

-1.96
25 WHKLKSREG

2.8

-4.7

-1.9
26 FHPLPSREG

3.68

-5.57

-1.89
27 FHRLPSREG

4.47

-6.26

-1.79
28 FHPLRSREG

3.86

-5.58

-1.72
29 WHPLKSREG

3.43

-5.04

-1.61
30 RHRLPSREG

4.04

-5.45

-1.41

 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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