Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-20.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 5.357 ΔGbinding -1.808
TOTAL
 3.549
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.044
Van der Waals -4.024 Backbone clash 0.123
Electrostatics 0.094 Helix dipole 0.000
Solvation Polar 4.099 Water bridges -0.030
Solvation Hyd -5.911 Disulfide 0.000
VdW clashes 0.435 Electrost. Kon 0.259
Entropy sc 0.689 Part.cov.bonds 0.000
Entropy mc

4.313

 ΔGstability

31.653
       

Predicted ligand sequences for model [BUD14_1CKB-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRKFFGNSF 0.0
2 MRYFFGNSF 0.02
3 MRKFFGESF 0.02
4 MRFFFGNSF 0.03
5 MRYFFGESF 0.04
6 MRFFFGESF 0.05
7 MRKFMGNSF 0.18
8 MRKFMGESF 0.2
9 MRKLFGNSF 0.2
10 MRYFMGNSF 0.2
11 MRFFMGNSF 0.21
12 MRKLFGESF 0.22
13 MRYFMGESF 0.22
14 MRYLFGNSF 0.22
15 MRFFMGESF 0.23
16 MRFLFGNSF 0.23
17 MRYLFGESF 0.24
18 MRFLFGESF 0.25
19 MRKFFGFSF 0.27
20 MRYFFGFSF 0.29
21 MRFFFGFSF 0.3
22 MRKFFRNSF 0.33
23 MRKFRGNSF 0.35
24 MRYFFRNSF 0.35
25 MRKFFRESF 0.35
26 MRFFFRNSF 0.36
27 MRYFFRESF 0.37
28 MRYFRGNSF 0.37
29 MRKWFGNSF 0.37
30 MRKFRGESF 0.37
31 MRFFRGNSF 0.38
32 MRFFFRESF 0.38
33 MRYFRGESF 0.39
34 MRYWFGNSF 0.39
35 MRKLMGNSF 0.39
36 MRKWFGESF 0.39
37 MRFWFGNSF 0.4
38 MRFFRGESF 0.4
39 MRKLMGESF 0.41
40 MRYWFGESF 0.41
41 MRYLMGNSF 0.41
42 MRFLMGNSF 0.41
43 MRFWFGESF 0.42
44 MRYLMGESF 0.43
45 MRFLMGESF 0.43
46 MRKFMGFSF 0.46
47 MRKLFGFSF 0.48
48 MRYFMGFSF 0.48
49 MRFFMGFSF 0.48
50 MRKFFGNKF 0.5
51 MRFLFGFSF 0.5
52 MRYLFGFSF 0.5
53 MRYFFGNKF 0.52
54 MRKFMRNSF 0.52
55 MRKFFGEKF 0.52
56 MRFFFGNKF 0.53
57 MRYFFGEKF 0.54
58 MRKLFRNSF 0.54
59 MRKFMRESF 0.54
60 MRYFMRNSF 0.54
61 MRFFMRNSF 0.54
62 MRKLRGNSF 0.55
63 MRKWMGNSF 0.55
64 MRFFFGEKF 0.55
65 MRYFMRESF 0.56
66 MRFFMRESF 0.56
67 MRYLFRNSF 0.56
68 MRKLFRESF 0.56
69 MRFLFRNSF 0.56
70 MRKWMGESF 0.57
71 MRYLRGNSF 0.57
72 MRYWMGNSF 0.57
73 MRKLRGESF 0.57
74 MRFWMGNSF 0.58
75 MRFLFRESF 0.58
76 MRFLRGNSF 0.58
77 MRYLFRESF 0.58
78 MRYLRGESF 0.59
79 MRYWMGESF 0.59
80 MRKFFRFSF 0.6
81 MRFWMGESF 0.6
82 MRFLRGESF 0.6
83 MRYFFRFSF 0.62
84 MRKFRGFSF 0.62
85 MRFFFRFSF 0.63
86 MRKWFGFSF 0.64
87 MRYFRGFSF 0.64
88 MRFFRGFSF 0.65
89 MRKLMGFSF 0.66
90 MRYWFGFSF 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRFFFGFSF

3.82

-11.78

-7.96
2 MRKFFGFSF

4.18

-12.11

-7.93
3 MRKFFGESF

4.33

-12.06

-7.73
4 MRKLFGNSF

4.29

-11.97

-7.68
5 MRKFFRESF

5.26

-12.81

-7.55
6 MRKFRGNSF

4.25

-11.7

-7.45
7 MRKFMGNSF

4.17

-11.52

-7.35
8 MRYFFGNSF

4.27

-11.46

-7.19
9 MRKFRGESF

4.33

-11.42

-7.09
10 MRYLFGESF

4.1

-11.1

-7.0
11 MRKLFGESF

4.66

-11.61

-6.95
12 MRYFRGNSF

4.62

-11.51

-6.89
13 MRYFFRESF

5.95

-12.73

-6.78
14 MRYLFGNSF

4.2

-10.93

-6.73
15 MRFLFGNSF

4.38

-11.0

-6.62
16 MRYFFGFSF

4.56

-11.13

-6.57
17 MRKFFGNSF

4.23

-10.78

-6.55
18 MRFFMGESF

4.23

-10.73

-6.5
19 MRKFFRNSF

5.78

-12.14

-6.36
20 MRFFFGNSF

4.08

-10.39

-6.31
21 MRFFMGNSF

4.3

-10.59

-6.29
22 MRFFFRNSF

6.12

-12.32

-6.2
23 MRYFFGESF

4.31

-10.49

-6.18
24 MRFLFGESF

4.67

-10.85

-6.18
25 MRYFFRNSF

5.93

-11.76

-5.83
26 MRYFMGNSF

4.42

-10.21

-5.79
27 MRKFMGESF

4.65

-10.38

-5.73
28 MRFFFGESF

4.65

-10.14

-5.49
29 MRYFMGESF

4.32

-9.59

-5.27
30 MRKWFGNSF

4.15

-8.99

-4.84

 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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