Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-2.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 10
poly-Ala
A
A
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 2.937 ΔGbinding 10.036
TOTAL
 12.973
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.609
Van der Waals -3.813 Backbone clash 0.008
Electrostatics -0.122 Helix dipole 0.000
Solvation Polar 4.082 Water bridges -0.033
Solvation Hyd -5.764 Disulfide 0.000
VdW clashes 12.517 Electrost. Kon -0.180
Entropy sc 0.596 Part.cov.bonds 0.000
Entropy mc

2.144

 ΔGstability

38.774
       

Predicted ligand sequences for model [BUD14_1GCQ-2.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).
 
  BUD14_1GCQ-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SSKDFFPKKY 0.0
2 SSRDFFPKKY 0.05
3 SSKDFFPKPY 0.06
4 SSKDWFPKKY 0.09
5 SSRDFFPKPY 0.1
6 SSMDFFPKKY 0.11
7 SSKQFFPKKY 0.12
8 SSKHFFPKKY 0.12
9 SSKDMFPKKY 0.12
10 SSRDWFPKKY 0.13
11 SSKDWFPKPY 0.15
12 SSRDMFPKKY 0.16
13 SSRQFFPKKY 0.16
14 SSKQFFPKPY 0.17
15 SSMDFFPKPY 0.17
16 SSRHFFPKKY 0.17
17 SSKDMFPKPY 0.17
18 SSKHFFPKPY 0.18
19 SSRDWFPKPY 0.19
20 SSMDWFPKKY 0.2
21 SSKDFFPKQY 0.2
22 SSKQWFPKKY 0.2
23 SSKHWFPKKY 0.21
24 SSRDMFPKPY 0.22
25 SSMDMFPKKY 0.22
26 SSMQFFPKKY 0.22
27 SSRQFFPKPY 0.22
28 SSKQMFPKKY 0.23
29 SSRHFFPKPY 0.23
30 SSMHFFPKKY 0.23
31 SSKHMFPKKY 0.24
32 SSRDFFPKQY 0.25
33 SSRQWFPKKY 0.25
34 SSMDWFPKPY 0.25
35 SSRHWFPKKY 0.26
36 SSKQWFPKPY 0.26
37 SSKHWFPKPY 0.27
38 SSRHMFPKKY 0.28
39 SSMQFFPKPY 0.28
40 SSMDMFPKPY 0.28
41 SSRQMFPKKY 0.28
42 SSKHMFPKPY 0.29
43 SSKDWFPKQY 0.29
44 SSMHFFPKPY 0.29
45 SSKQMFPKPY 0.29
46 SSRHWFPKPY 0.31
47 SSRQWFPKPY 0.31
48 SSMQWFPKKY 0.31
49 SSKDFFPKKH 0.31
50 SSMDFFPKQY 0.31
51 SSKQFFPKQY 0.32
52 SSMHWFPKKY 0.32
53 SSKDMFPKQY 0.32
54 SSRQMFPKPY 0.33
55 SSKHFFPKQY 0.33
56 SSMQMFPKKY 0.34
57 SSRHMFPKPY 0.34
58 SSMHMFPKKY 0.34
59 SSRDWFPKQY 0.34
60 SSRDFFPKKH 0.35
61 SSRDMFPKQY 0.37
62 SSMHWFPKPY 0.37
63 SSRQFFPKQY 0.37
64 SSMQWFPKPY 0.37
65 SSKDFFPKPH 0.37
66 SSRHFFPKQY 0.37
67 SSKDWFPKKH 0.4
68 SSMHMFPKPY 0.4
69 SSMDWFPKQY 0.4
70 SSMQMFPKPY 0.4
71 SSKDFFPPKY 0.41
72 SSKDFFPKKW 0.41
73 SSKHWFPKQY 0.41
74 SSRDFFPKPH 0.41
75 SSKQWFPKQY 0.41
76 SSKDMFPKKH 0.42
77 SSKQFFPKKH 0.42
78 SSMDFFPKKH 0.42
79 SSMQFFPKQY 0.43
80 SSMDMFPKQY 0.43
81 SNKDFFPKKY 0.43
82 SSMHFFPKQY 0.43
83 SSKHFFPKKH 0.43
84 SSKQMFPKQY 0.43
85 SSKHMFPKQY 0.44
86 SSRDWFPKKH 0.44
87 SSKDWFPKPH 0.45
88 SSRQWFPKQY 0.45
89 SSRDFFPKKW 0.46
90 SSRHWFPKQY 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SSRHFFPKPY

3.91

-3.15

0.76
2 SSMDFFPKPY

3.46

-2.08

1.38
3 SSKDMFPKKY

3.86

-1.98

1.88
4 SSRHFFPKKY

4.07

-2.15

1.92
5 SSKDMFPKPY

3.23

-1.11

2.12
6 SSKHFFPKPY

3.36

-0.6

2.76
7 SSKHWFPKKY

3.41

-0.11

3.3
8 SSKDWFPKPY

3.35

0.28

3.63
9 SSKQWFPKKY

3.7

0.07

3.77
10 SSMDMFPKKY

3.72

0.25

3.97
11 SSRDWFPKPY

4.42

-0.31

4.11
12 SSKQFFPKPY

3.67

0.51

4.18
13 SSKDWFPKKY

3.68

0.63

4.31
14 SSKQFFPKKY

4.61

-0.22

4.39
15 SSRDFFPKKY

4.43

0.12

4.55
16 SSRDWFPKKY

3.72

0.9

4.62
17 SSKQMFPKKY

5.24

-0.62

4.62
18 SSRDFFPKPY

3.69

0.96

4.65
19 SSRDMFPKPY

3.86

0.84

4.7
20 SSMDWFPKKY

3.88

0.94

4.82
21 SSRQFFPKPY

4.25

0.68

4.93
22 SSMQFFPKKY

3.7

1.24

4.94
23 SSRDMFPKKY

3.93

1.15

5.08
24 SSKDFFPKKY

3.88

1.25

5.13
25 SSRQFFPKKY

4.4

0.73

5.13
26 SSKDFFPKPY

4.23

0.99

5.22
27 SSKHFFPKKY

4.13

1.37

5.5
28 SSMDFFPKKY

4.08

1.44

5.52
29 SSMHFFPKKY

4.49

1.16

5.65
30 SSKDFFPKQY

5.55

0.66

6.21

 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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