Predicted ligand sequences


ADAN-name: 1N7F2.PDB (view again the scoring matrix)

PDB name: [1N7F.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A T V R T Y S C
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 2.027 ΔGbinding -10.200
TOTAL
 -8.173
Backbone Hb -10.810 Cis_bond 0.000
Sidechain Hb -2.280 Torsional clash 0.030
Van der Waals -9.600 Backbone clash 0.950
Electrostatics -0.790 Helix dipole -0.040
Solvation Polar 15.230 Water bridges -0.700
Solvation Hyd -12.020 Disulfide 0.000
VdW clashes 0.300 Electrost. Kon -0.840
Entropy sc 4.910 Part.cov.bonds 0.000
Entropy mc

6.390

 ΔGstability

3.090
       

Predicted ligand sequences for template [1N7F2.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).
 
  1N7F2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRWMMYMF 0.0
2 LRWMMYMF 0.01
3 KRWWMYMF 0.05
4 LRWWMYMF 0.06
5 KWWMMYMF 0.11
6 KRWMTYMF 0.12
7 LWWMMYMF 0.12
8 LRWMTYMF 0.13
9 KWWWMYMF 0.16
10 KRWMMFMF 0.16
11 KKWMMYMF 0.16
12 LRWMMFMF 0.17
13 LKWMMYMF 0.17
14 LWWWMYMF 0.17
15 KRWWTYMF 0.17
16 KRWMMMMF 0.18
17 LRWWTYMF 0.18
18 FRWMMYMF 0.19
19 LRWMMMMF 0.19
20 KRWWMFMF 0.21
21 KRWMLYMF 0.21
22 KKWWMYMF 0.21
23 LRWWMFMF 0.22
24 LRWMLYMF 0.22
25 LKWWMYMF 0.22
26 KRWWMMMF 0.23
27 KWWMTYMF 0.23
28 LRWWMMMF 0.24
29 FRWWMYMF 0.24
30 LWWMTYMF 0.24
31 KWWMMFMF 0.27
32 KRWWLYMF 0.27
33 LRWWLYMF 0.27
34 KKWMTYMF 0.28
35 KRWMTFMF 0.28
36 LWWMMFMF 0.28
37 LWWWTYMF 0.29
38 LRWMTFMF 0.29
39 KWWWTYMF 0.29
40 LKWMTYMF 0.29
41 KWWMMMMF 0.29
42 FWWMMYMF 0.3
43 KRWMTMMF 0.3
44 KRWMMYFF 0.3
45 LWWMMMMF 0.3
46 FRWMTYMF 0.31
47 LRWMMYFF 0.31
48 LRWMTMMF 0.31
49 LKWMMFMF 0.32
50 LRWLMYMF 0.32
51 KWWWMFMF 0.32
52 KWWMLYMF 0.32
53 KKWMMFMF 0.32
54 KRWLMYMF 0.32
55 LWWWMFMF 0.33
56 KRWWTFMF 0.33
57 KKWWTYMF 0.33
58 LWWMLYMF 0.33
59 KWWWMMMF 0.34
60 LKWWTYMF 0.34
61 KKWMMMMF 0.34
62 FRWMMFMF 0.34
63 FKWMMYMF 0.34
64 LRWWTFMF 0.34
65 LKWMMMMF 0.35
66 LWWWMMMF 0.35
67 FWWWMYMF 0.35
68 KRWWMYFF 0.36
69 LRWWMYFF 0.36
70 FRWWTYMF 0.36
71 KRWWTMMF 0.36
72 LRWWTMMF 0.36
73 FRWMMMMF 0.37
74 KKWMLYMF 0.37
75 KRWMLFMF 0.37
76 KKWWMFMF 0.37
77 LRWMLFMF 0.38
78 LKWMLYMF 0.38
79 LKWWMFMF 0.38
80 KWWWLYMF 0.38
81 LWWWLYMF 0.39
82 KRWMLMMF 0.39
83 KWWMTFMF 0.39
84 KKWWMMMF 0.39
85 FKWWMYMF 0.4
86 LWWMTFMF 0.4
87 FRWMLYMF 0.4
88 LKWWMMMF 0.4
89 LRWMLMMF 0.4
90 FRWWMFMF 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRWMMFMF

3.08

-20.43

-17.35
2 LRWMMYMF

2.85

-19.91

-17.06
3 KRWMMMMF

3.03

-19.97

-16.94
4 FRWWMYMF

2.8

-19.72

-16.92
5 KRWWMMMF

2.96

-19.87

-16.91
6 KRWMMYMF

2.76

-19.66

-16.9
7 LKWMMYMF

2.93

-19.77

-16.84
8 LWWMMYMF

2.69

-19.51

-16.82
9 FRWMMYMF

2.97

-19.76

-16.79
10 LRWMMFMF

3.03

-19.72

-16.69
11 LRWMMMMF

2.97

-19.62

-16.65
12 KKWMMYMF

2.87

-19.46

-16.59
13 LRWMTYMF

2.97

-19.54

-16.57
14 KRWMLYMF

2.99

-19.54

-16.55
15 KRWWTYMF

3.08

-19.61

-16.53
16 LRWMLYMF

3.08

-19.56

-16.48
17 KWWMMYMF

2.8

-19.27

-16.47
18 KRWMTYMF

2.8

-19.24

-16.44
19 KRWWMFMF

3.23

-19.58

-16.35
20 LRWWTYMF

2.79

-19.12

-16.33
21 KKWWMYMF

2.71

-19.0

-16.29
22 KWWMTYMF

2.88

-19.14

-16.26
23 LKWWMYMF

2.76

-19.01

-16.25
24 LWWMTYMF

3.03

-19.18

-16.15
25 LRWWMYMF

2.85

-18.66

-15.81
26 KWWWMYMF

3.32

-19.09

-15.77
27 KRWWMYMF

2.98

-18.62

-15.64
28 LRWWMFMF

2.73

-18.37

-15.64
29 LWWWMYMF

3.56

-18.97

-15.41
30 LRWWMMMF

2.99

-18.3

-15.31

 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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