Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-21.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
G
G
 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 2.621 ΔGbinding -0.800
TOTAL
 1.821
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.202
Van der Waals -2.391 Backbone clash 0.095
Electrostatics 0.032 Helix dipole 0.000
Solvation Polar 2.610 Water bridges -0.052
Solvation Hyd -3.423 Disulfide 0.000
VdW clashes 0.379 Electrost. Kon 0.084
Entropy sc 0.056 Part.cov.bonds 0.000
Entropy mc

1.705

 ΔGstability

37.989
       

Predicted ligand sequences for model [BUD14_1CKB-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRMGIPDMK 0.0
2 KWRMGIPDMK 0.01
3 RRRMGIPDMK 0.01
4 RWRMGFPDMK 0.02
5 KRRMGIPDMK 0.03
6 KWRMGFPDMK 0.04
7 RRRMGFPDMK 0.04
8 RWFMGIPDMK 0.04
9 RWIMGIPDMK 0.04
10 KRRMGFPDMK 0.05
11 KWFMGIPDMK 0.05
12 RRFMGIPDMK 0.05
13 RWRLGIPDMK 0.06
14 RWRMGYPDMK 0.06
15 HWRMGIPDMK 0.06
16 KWIMGIPDMK 0.06
17 RWFMGFPDMK 0.06
18 RWRMGIPDMF 0.06
19 RRIMGIPDMK 0.06
20 RRRMGYPDMK 0.07
21 RRRMGIPDMF 0.07
22 KWRMGYPDMK 0.07
23 KWRMGIPDMF 0.07
24 KRFMGIPDMK 0.07
25 RWIMGFPDMK 0.07
26 KRIMGIPDMK 0.07
27 RRFMGFPDMK 0.08
28 KWRLGIPDMK 0.08
29 RWRMGFPDMF 0.08
30 KWIMGFPDMK 0.08
31 KWFMGFPDMK 0.08
32 RRRLGIPDMK 0.08
33 RRIMGFPDMK 0.08
34 HRRMGIPDMK 0.08
35 RWRLGFPDMK 0.09
36 HWRMGFPDMK 0.09
37 KRRMGYPDMK 0.09
38 KRRMGIPDMF 0.09
39 KRFMGFPDMK 0.09
40 KRRLGIPDMK 0.09
41 RWIMGYPDMK 0.1
42 RRRLGFPDMK 0.1
43 HRRMGFPDMK 0.1
44 KRIMGFPDMK 0.1
45 KWRMGFPDMF 0.1
46 HWFMGIPDMK 0.1
47 RRRMGFPDMF 0.1
48 RWFMGIPDMF 0.1
49 KWRLGFPDMK 0.1
50 RWIMGIPDMF 0.1
51 RWFLGIPDMK 0.1
52 RWFMGYPDMK 0.1
53 RWRFGIPDMK 0.11
54 RRFMGYPDMK 0.11
55 KRRMGFPDMF 0.11
56 HWIMGIPDMK 0.11
57 KWFMGIPDMF 0.11
58 RWILGIPDMK 0.11
59 RRFMGIPDMF 0.11
60 KWFMGYPDMK 0.11
61 RRIMGIPDMF 0.11
62 RWRLGIPDMF 0.12
63 KWILGIPDMK 0.12
64 RWRLGYPDMK 0.12
65 RWRMGYPDMF 0.12
66 KRRLGFPDMK 0.12
67 HWRMGIPDMF 0.12
68 KWFLGIPDMK 0.12
69 KWIMGIPDMF 0.12
70 RWFMGFPDMF 0.12
71 RRILGIPDMK 0.12
72 KWIMGYPDMK 0.12
73 HRIMGIPDMK 0.12
74 RWIMGFPDMF 0.12
75 RRFLGIPDMK 0.12
76 HRFMGIPDMK 0.12
77 RRIMGYPDMK 0.12
78 HWRMGYPDMK 0.12
79 KRIMGYPDMK 0.13
80 HWRLGIPDMK 0.13
81 KRFMGYPDMK 0.13
82 RRRFGIPDMK 0.13
83 HWFMGFPDMK 0.13
84 KWRFGIPDMK 0.13
85 RRRMGYPDMF 0.13
86 KWRMGYPDMF 0.13
87 KRFMGIPDMF 0.13
88 KRIMGIPDMF 0.13
89 RWFLGFPDMK 0.13
90 RWILGFPDMK 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRMGIPDMK

4.26

-9.24

-4.98
2 KRRMGIPDMK

4.19

-9.1

-4.91
3 RRRMGYPDMK

4.19

-9.05

-4.86
4 RRIMGIPDMK

3.66

-8.51

-4.85
5 KRRMGFPDMK

3.9

-8.31

-4.41
6 RRFMGFPDMK

4.49

-8.77

-4.28
7 RRRMGIPDMF

4.06

-8.2

-4.14
8 RRFMGIPDMK

4.73

-8.36

-3.63
9 KRIMGIPDMK

4.52

-7.54

-3.02
10 RWRMGFPDMK

5.26

-7.97

-2.71
11 RRRMGFPDMK

5.75

-8.3

-2.55
12 KRFMGIPDMK

4.91

-7.31

-2.4
13 KWRMGFPDMK

5.24

-7.35

-2.11
14 RWRMGIPDMF

4.84

-6.68

-1.84
15 RWRMGYPDMK

5.17

-6.91

-1.74
16 KWRMGYPDMK

5.2

-6.8

-1.6
17 RWIMGFPDMK

4.94

-6.51

-1.57
18 RWIMGIPDMK

5.03

-6.47

-1.44
19 HWRMGIPDMK

4.67

-5.82

-1.15
20 KWIMGFPDMK

5.61

-6.66

-1.05
21 RWRLGIPDMK

5.43

-6.42

-0.99
22 KWRMGIPDMF

5.35

-6.32

-0.97
23 RWRMGFPDMF

4.55

-5.47

-0.92
24 KWRMGIPDMK

5.5

-6.35

-0.85
25 RWFMGFPDMK

5.25

-5.85

-0.6
26 KWRLGIPDMK

5.28

-5.85

-0.57
27 RWFMGIPDMK

5.4

-5.86

-0.46
28 RWRMGIPDMK

6.37

-6.66

-0.29
29 KWIMGIPDMK

5.24

-5.47

-0.23
30 KWFMGIPDMK

5.56

-5.67

-0.11

 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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