Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 5.555 ΔGbinding -1.013
TOTAL
 4.542
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.700
Van der Waals -2.375 Backbone clash 0.023
Electrostatics 0.026 Helix dipole 0.000
Solvation Polar 1.892 Water bridges -0.026
Solvation Hyd -3.667 Disulfide 0.000
VdW clashes 0.009 Electrost. Kon 0.116
Entropy sc 0.170 Part.cov.bonds 0.000
Entropy mc

2.140

 ΔGstability

29.244
       

Predicted ligand sequences for model [BUD14_1CKB-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPFRRQ 0.0
2 RRWFRRQ 0.07
3 RRPFMRQ 0.12
4 RRPFRPQ 0.16
5 RRWFMRQ 0.19
6 RRWFRPQ 0.23
7 RRPMRRQ 0.26
8 RRPFMPQ 0.28
9 RRFFRRQ 0.31
10 RRWMRRQ 0.33
11 RRPFRRY 0.33
12 RRPYRRQ 0.33
13 RRWFMPQ 0.35
14 RRPMMRQ 0.37
15 RRWFRRY 0.4
16 RRWYRRQ 0.4
17 RRPFPRQ 0.42
18 RRFFMRQ 0.42
19 RRPMRPQ 0.42
20 RRWMMRQ 0.44
21 RRPYMRQ 0.45
22 RRPFMRY 0.45
23 RRPFRGQ 0.46
24 RRFFRPQ 0.47
25 RRPFRPY 0.49
26 RRWMRPQ 0.49
27 RRPYRPQ 0.49
28 RRWFPRQ 0.49
29 RRWYMRQ 0.52
30 RRWFMRY 0.52
31 RRPMMPQ 0.53
32 RRWFRGQ 0.53
33 RRFMRRQ 0.56
34 RRWFRPY 0.56
35 RRPFMGQ 0.57
36 RRWYRPQ 0.57
37 RRPFPPQ 0.58
38 RRPMRRY 0.58
39 RRFFMPQ 0.59
40 RRWMMPQ 0.6
41 RRPYMPQ 0.61
42 RRPFMPY 0.61
43 RRWFMGQ 0.64
44 RRFYRRQ 0.64
45 RRFFRRY 0.64
46 RRWMRRY 0.65
47 RRWFPPQ 0.65
48 RRPYRRY 0.66
49 RRPMPRQ 0.67
50 RRWFMPY 0.68
51 RRWYMPQ 0.68
52 RRFMMRQ 0.68
53 RRPMMRY 0.7
54 RRPMRGQ 0.71
55 RRFFPRQ 0.72
56 RRFMRPQ 0.73
57 RRWYRRY 0.73
58 RRPFPRY 0.74
59 RRWMPRQ 0.74
60 RRFFMRY 0.75
61 RRPYPRQ 0.75
62 RRPMRPY 0.75
63 RRFYMRQ 0.76
64 RRFFRGQ 0.77
65 RRWMMRY 0.77
66 RRPYMRY 0.78
67 RRWMRGQ 0.78
68 RRPYRGQ 0.79
69 RRPFRGY 0.79
70 RRFFRPY 0.8
71 RRFYRPQ 0.8
72 RRWFPRY 0.81
73 RRWMRPY 0.82
74 RRPYRPY 0.82
75 RRWYPRQ 0.82
76 RRPMPPQ 0.83
77 RRPMMGQ 0.83
78 RRFMMPQ 0.84
79 RRWYMRY 0.85
80 RRPMMPY 0.86
81 RRWFRGY 0.86
82 RRWYRGQ 0.86
83 RRPFPGQ 0.87
84 RRFFMGQ 0.88
85 RRFMRRY 0.89
86 RRFFPPQ 0.89
87 RRWYRPY 0.89
88 RRWMMGQ 0.9
89 RRPFMGY 0.9
90 RRWMPPQ 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRWMRRQ

3.72

-8.61

-4.89
2 RRWMRPQ

4.04

-7.7

-3.66
3 RRWFRRY

4.43

-7.75

-3.32
4 RRPYRPQ

4.19

-7.47

-3.28
5 RRPMRRQ

4.48

-7.74

-3.26
6 RRPYRRQ

4.25

-7.49

-3.24
7 RRPMRPQ

4.06

-7.26

-3.2
8 RRWYMRQ

3.53

-6.7

-3.17
9 RRPFRRY

4.98

-8.12

-3.14
10 RRPYMRQ

4.21

-7.07

-2.86
11 RRWFMRY

4.16

-6.83

-2.67
12 RRPFRRQ

4.96

-7.53

-2.57
13 RRWFPRQ

3.71

-6.21

-2.5
14 RRPFRPQ

4.08

-6.56

-2.48
15 RRPFRGQ

4.29

-6.75

-2.46
16 RRPFMRY

4.56

-7.02

-2.46
17 RRWMMRQ

4.0

-6.42

-2.42
18 RRWYRRQ

4.37

-6.67

-2.3
19 RRPFPRQ

3.62

-5.82

-2.2
20 RRPMMRQ

4.2

-6.26

-2.06
21 RRFFRRQ

4.16

-5.97

-1.81
22 RRFFRPQ

4.1

-5.79

-1.69
23 RRWFMPQ

3.82

-5.51

-1.69
24 RRWFMRQ

4.17

-5.84

-1.67
25 RRPFRPY

4.78

-6.36

-1.58
26 RRFFMRQ

4.16

-5.55

-1.39
27 RRPFMPQ

3.83

-5.14

-1.31
28 RRPFMRQ

4.63

-5.74

-1.11
29 RRWFRRQ

4.48

-5.37

-0.89
30 RRWFRPQ

6.58

-3.91

2.67

 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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