Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-19.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 10.422 ΔGbinding -2.290
TOTAL
 8.132
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.107
Van der Waals -4.646 Backbone clash 0.002
Electrostatics 0.184 Helix dipole 0.000
Solvation Polar 4.779 Water bridges -0.083
Solvation Hyd -6.898 Disulfide 0.000
VdW clashes 2.292 Electrost. Kon 0.368
Entropy sc 0.720 Part.cov.bonds 0.000
Entropy mc

3.938

 ΔGstability

40.281
       

Predicted ligand sequences for model [BUD14_1CKB-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 IMSFRGYSY 0.0
2 IMSFRGYSW 0.02
3 MMSFRGYSY 0.07
4 MMSFRGYSW 0.09
5 IMSFRGYSI 0.12
6 WMSFRGYSY 0.14
7 WMSFRGYSW 0.17
8 IMSFRGWSY 0.17
9 MMSFRGYSI 0.18
10 IMSFRGWSW 0.19
11 IPSFRGYSY 0.21
12 IPSFRGYSW 0.23
13 MMSFRGWSY 0.24
14 WMSFRGYSI 0.26
15 MMSFRGWSW 0.26
16 IVSFRGYSY 0.26
17 IMSFRGFSY 0.27
18 IMSFRGWSI 0.28
19 MPSFRGYSY 0.28
20 IMSFRGFSW 0.29
21 IVSFRGYSW 0.29
22 MPSFRGYSW 0.3
23 WMSFRGWSY 0.31
24 IPSFRGYSI 0.32
25 WMSFRGWSW 0.33
26 MVSFRGYSY 0.33
27 MMSFRGFSY 0.34
28 WPSFRGYSY 0.35
29 MMSFRGWSI 0.35
30 MMSFRGFSW 0.36
31 MVSFRGYSW 0.36
32 IMSFRGFSI 0.38
33 WPSFRGYSW 0.38
34 IPSFRGWSY 0.38
35 IVSFRGYSI 0.38
36 MPSFRGYSI 0.39
37 IPSFRGWSW 0.4
38 WVSFRGYSY 0.41
39 WMSFRGFSY 0.41
40 WMSFRGWSI 0.42
41 WVSFRGYSW 0.43
42 WMSFRGFSW 0.43
43 IVSFRGWSY 0.43
44 MVSFRGYSI 0.45
45 IMSFRGYTY 0.45
46 MPSFRGWSY 0.45
47 MMSFRGFSI 0.45
48 IVSFRGWSW 0.46
49 IPSFRGFSY 0.47
50 IMSQRGYSY 0.47
51 MPSFRGWSW 0.47
52 WPSFRGYSI 0.47
53 IMSFRGYTW 0.47
54 IMSQRGYSW 0.49
55 IPSFRGWSI 0.49
56 IPSFRGFSW 0.5
57 MVSFRGWSY 0.5
58 MMSFRGYTY 0.51
59 MVSFRGWSW 0.52
60 WMSFRGFSI 0.52
61 WPSFRGWSY 0.52
62 WVSFRGYSI 0.52
63 IVSFRGFSY 0.53
64 MMSQRGYSY 0.53
65 MMSFRGYTW 0.54
66 MPSFRGFSY 0.54
67 WPSFRGWSW 0.54
68 IVSFRGFSW 0.55
69 IVSFRGWSI 0.55
70 MPSFRGWSI 0.56
71 IMSFRGYTI 0.56
72 MMSQRGYSW 0.56
73 WVSFRGWSY 0.57
74 MPSFRGFSW 0.57
75 IMSQRGYSI 0.58
76 IPSFRGFSI 0.59
77 WMSFRGYTY 0.59
78 MVSFRGFSY 0.6
79 WVSFRGWSW 0.6
80 IMSFRGWTY 0.61
81 WMSQRGYSY 0.61
82 WMSFRGYTW 0.61
83 MVSFRGWSI 0.61
84 WPSFRGFSY 0.62
85 MVSFRGFSW 0.62
86 WPSFRGWSI 0.63
87 IMSQRGWSY 0.63
88 MMSFRGYTI 0.63
89 WMSQRGYSW 0.63
90 IMSFRGWTW 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IPSFRGYSW

4.52

-9.08

-4.56
2 IPSFRGYSI

4.85

-9.11

-4.26
3 IMSFRGFSW

4.77

-8.7

-3.93
4 IMSFRGWSI

5.38

-9.2

-3.82
5 IMSFRGYSI

4.93

-8.49

-3.56
6 MMSFRGYSW

4.81

-8.36

-3.55
7 IVSFRGYSW

5.38

-8.57

-3.19
8 IMSFRGWSW

4.61

-7.79

-3.18
9 IMSFRGYSW

4.95

-7.87

-2.92
10 WPSFRGYSY

4.66

-7.2

-2.54
11 WMSFRGWSY

5.23

-7.51

-2.28
12 WMSFRGYSI

5.52

-7.73

-2.21
13 IMSFRGFSY

4.98

-7.18

-2.2
14 IPSFRGYSY

5.04

-7.19

-2.15
15 WMSFRGWSW

5.1

-7.15

-2.05
16 MMSFRGFSW

5.25

-7.24

-1.99
17 IMSFRGWSY

4.75

-6.4

-1.65
18 IMSFRGYSY

4.84

-6.21

-1.37
19 MMSFRGWSW

5.04

-6.36

-1.32
20 MPSFRGYSY

4.94

-6.24

-1.3
21 MMSFRGWSI

5.47

-6.56

-1.09
22 MMSFRGFSY

5.11

-6.17

-1.06
23 MVSFRGYSY

4.85

-5.73

-0.88
24 MMSFRGYSI

6.51

-7.31

-0.8
25 MMSFRGYSY

6.96

-7.7

-0.74
26 MMSFRGWSY

6.0

-6.44

-0.44
27 IVSFRGYSY

4.74

-5.14

-0.4
28 WMSFRGYSW

4.93

-5.08

-0.15
29 WMSFRGYSY

4.97

-4.99

-0.02
30 MPSFRGYSW

7.17

-6.28

0.89

 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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