Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-4.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 11.504 ΔGbinding 7.580
TOTAL
 19.084
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.789
Van der Waals -4.654 Backbone clash 0.041
Electrostatics -0.049 Helix dipole 0.000
Solvation Polar 5.058 Water bridges -0.037
Solvation Hyd -7.173 Disulfide 0.000
VdW clashes 12.265 Electrost. Kon -0.033
Entropy sc 0.598 Part.cov.bonds 0.000
Entropy mc

2.591

 ΔGstability

50.495
       

Predicted ligand sequences for model [BUD14_1CKB-4.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_1CKB-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFPRRFRRKR 0.0
2 MFPDRFRRKR 0.01
3 MFPRRFRRRR 0.11
4 MFPRRFRKKR 0.11
5 MFPDRFRRRR 0.12
6 MFPDRFRKKR 0.12
7 MFPRPFRRKR 0.16
8 MFPDPFRRKR 0.17
9 MFPRRFWRKR 0.17
10 MFPDRFWRKR 0.18
11 MFPKRFRRKR 0.18
12 MFPRRFRRKW 0.2
13 MFPDRFRRKW 0.21
14 MFPRRFRKRR 0.22
15 MFPDRFRKRR 0.23
16 MFPRRFMRKR 0.24
17 MFPDRFMRKR 0.25
18 MFPRPFRKKR 0.27
19 MFPRPFRRRR 0.27
20 MFPRRFWKKR 0.28
21 MFPRRFWRRR 0.28
22 MFPDPFRKKR 0.28
23 MFPDPFRRRR 0.28
24 MFPKRFRRRR 0.28
25 MFPKRFRKKR 0.29
26 MFPDRFWRRR 0.29
27 MFPDRFWKKR 0.29
28 VFPRRFRRKR 0.3
29 MFPRRFRRRW 0.31
30 VFPDRFRRKR 0.31
31 MFPRRFRHKR 0.31
32 MFPRRFRKKW 0.31
33 MFPDRFRHKR 0.32
34 MFPDRFRRRW 0.32
35 MFPDRFRKKW 0.32
36 MFPRPFWRKR 0.33
37 MFPKPFRRKR 0.33
38 MFPDPFWRKR 0.34
39 MFRRRFRRKR 0.35
40 MFPRRFMKKR 0.35
41 MFPRRFMRRR 0.35
42 MFPKRFWRKR 0.35
43 MFPRKFRRKR 0.36
44 MFRDRFRRKR 0.36
45 MFPDRFMKKR 0.36
46 MFPDRFMRRR 0.36
47 MFPDKFRRKR 0.36
48 MFPRPFRRKW 0.36
49 MFPDPFRRKW 0.37
50 MFPRRFWRKW 0.37
51 MFPKRFRRKW 0.37
52 MFPDRFWRKW 0.38
53 MFPRPFRKRR 0.38
54 MFPDPFRKRR 0.39
55 MFPRRFWKRR 0.39
56 MFPKRFRKRR 0.39
57 MFKRRFRRKR 0.4
58 MFPRPFMRKR 0.4
59 MFPDRFWKRR 0.4
60 VFPRRFRKKR 0.41
61 MFPDPFMRKR 0.41
62 MFKDRFRRKR 0.41
63 VFPRRFRRRR 0.41
64 MFPKRFMRKR 0.42
65 MFPDRFRKRW 0.42
66 MFPRRFRKRW 0.42
67 VFPDRFRRRR 0.42
68 VFPDRFRKKR 0.42
69 MFPRRFRHRR 0.42
70 MFPDRFRHRR 0.43
71 MFPKPFRKKR 0.44
72 MFPRRFMRKW 0.44
73 MFPKPFRRRR 0.44
74 MFPRPFWRRR 0.44
75 MFPRPFWKKR 0.44
76 MFPDRFMRKW 0.45
77 MFPKRFWRRR 0.45
78 MFPDPFWKKR 0.45
79 MFPDPFWRRR 0.45
80 MFPRKFRRRR 0.46
81 MFRRRFRKKR 0.46
82 VFPRPFRRKR 0.46
83 MFPRRFMKRR 0.46
84 MFPKRFWKKR 0.46
85 MFRRRFRRRR 0.46
86 MFRDRFRRRR 0.46
87 VFPDPFRRKR 0.47
88 MFPDKFRRRR 0.47
89 MFPRPFRKKW 0.47
90 MFRDRFRKKR 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 VFPDRFRRKR

8.49

-6.47

2.02
2 MFPDRFRRRR

8.26

-5.95

2.31
3 MFPDRFRKRR

7.03

-4.26

2.77
4 MFPDRFWRRR

7.92

-5.06

2.86
5 MFPDRFMRKR

7.16

-4.08

3.08
6 MFPRRFRKKR

7.11

-3.89

3.22
7 MFPRRFRRKW

7.07

-3.81

3.26
8 MFPDRFWKKR

8.01

-4.71

3.3
9 MFPDRFRKKR

6.77

-3.38

3.39
10 MFPKRFRRKR

8.36

-4.93

3.43
11 MFPRRFMRKR

8.76

-5.25

3.51
12 MFPRPFRRRR

9.86

-6.28

3.58
13 MFPKRFRKKR

6.77

-3.02

3.75
14 MFPRRFWKKR

6.88

-3.05

3.83
15 MFPDRFRRKW

8.16

-4.32

3.84
16 MFPDRFRRKR

7.58

-3.68

3.9
17 MFPRRFRRRW

9.08

-5.15

3.93
18 MFPRRFRRRR

7.17

-3.21

3.96
19 MFPRRFWRRR

7.4

-3.38

4.02
20 MFPRRFRRKR

7.87

-3.62

4.25
21 MFPKRFRRRR

7.67

-3.37

4.3
22 MFPDRFWRKR

8.19

-3.55

4.64
23 MFPRRFWRKR

9.03

-4.34

4.69
24 MFPRPFRRKR

8.48

-3.62

4.86
25 MFPDPFRKKR

6.98

-2.06

4.92
26 MFPDPFRRRR

8.84

-3.83

5.01
27 VFPRRFRRKR

7.86

-1.65

6.21
28 MFPRPFRKKR

9.07

-2.58

6.49
29 MFPRRFRKRR

9.39

-2.51

6.88
30 MFPDPFRRKR

7.56

-0.67

6.89

 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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