Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-15.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
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 1.752 ΔGbinding 0.835
TOTAL
 2.587
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.160
Van der Waals -2.557 Backbone clash 0.124
Electrostatics 0.427 Helix dipole 0.000
Solvation Polar 2.912 Water bridges -0.083
Solvation Hyd -3.700 Disulfide 0.000
VdW clashes 0.155 Electrost. Kon 0.552
Entropy sc 0.439 Part.cov.bonds 0.000
Entropy mc

3.805

 ΔGstability

26.986
       

Predicted ligand sequences for model [BUD14_1GCQ-15.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_1GCQ-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 HHFFIFKMM 0.0
2 HHFFIFLMM 0.01
3 HHIFIFKMM 0.03
4 HHPFIFKMM 0.03
5 HHFFWFKMM 0.03
6 HHIFIFLMM 0.04
7 HHFFWFLMM 0.05
8 HHFFIFRMM 0.05
9 HHPFIFLMM 0.05
10 HHFFIFKIM 0.06
11 HHPFWFKMM 0.06
12 HHIFWFKMM 0.06
13 HHIFIFRMM 0.07
14 HHIFWFLMM 0.07
15 HHFFIFLIM 0.07
16 HHPFIFRMM 0.08
17 HHPFWFLMM 0.08
18 HHFFWFRMM 0.08
19 HHPFIFKIM 0.09
20 HHFFWFKIM 0.09
21 HHIFIFKIM 0.09
22 HHIFIFLIM 0.1
23 HHIFWFRMM 0.1
24 HHPFWFRMM 0.11
25 HHPFIFLIM 0.11
26 HHFFWFLIM 0.11
27 HHFFIFRIM 0.11
28 HRFFIFKMM 0.12
29 HHPFWFKIM 0.12
30 HHIFWFKIM 0.12
31 HRFFIFLMM 0.13
32 HHIFIFRIM 0.13
33 HHIFWFLIM 0.13
34 HRIFIFKMM 0.14
35 HHPFIFRIM 0.14
36 HHPFWFLIM 0.14
37 HHFFWFRIM 0.14
38 HHFRIFKMM 0.14
39 HHFFVFKMM 0.15
40 HRPFIFKMM 0.15
41 HRFFWFKMM 0.15
42 HHIFWFRIM 0.16
43 HHFRIFLMM 0.16
44 HRPFIFLMM 0.16
45 HRFFWFLMM 0.16
46 HRIFIFLMM 0.16
47 HRFFIFRMM 0.16
48 HRIFWFKMM 0.17
49 HHFFVFLMM 0.17
50 HHIRIFKMM 0.17
51 HHPRIFKMM 0.17
52 HHPFWFRIM 0.17
53 HHFRWFKMM 0.17
54 HHIFVFKMM 0.18
55 HHPFVFKMM 0.18
56 HRPFWFKMM 0.18
57 HRFFIFKIM 0.18
58 MHFFIFKMM 0.18
59 HHIRIFLMM 0.18
60 HRIFIFRMM 0.19
61 HHPRIFLMM 0.19
62 HHFRWFLMM 0.19
63 HRIFWFLMM 0.19
64 HRFFIFLIM 0.19
65 HRFFWFRMM 0.19
66 HHIFVFLMM 0.19
67 HHFRIFRMM 0.19
68 HHFFIFKMQ 0.19
69 HRPFIFRMM 0.2
70 FHFFIFKMM 0.2
71 HHIRWFKMM 0.2
72 MHFFIFLMM 0.2
73 HHPRWFKMM 0.2
74 HHFRIFKIM 0.2
75 HHFFVFRMM 0.2
76 HRPFWFLMM 0.2
77 HHPFVFLMM 0.2
78 HRIFIFKIM 0.2
79 HHIRWFLMM 0.21
80 FHFFIFLMM 0.21
81 MHFFWFKMM 0.21
82 HRPFIFKIM 0.21
83 HHIRIFRMM 0.21
84 HHFFIFLMQ 0.21
85 HRFFWFKIM 0.21
86 HHFFVFKIM 0.21
87 MHIFIFKMM 0.21
88 HRIFWFRMM 0.22
89 HHFRIFLIM 0.22
90 HHIFIFKMQ 0.22
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HHIFWFLMM

1.77

-5.13

-3.36
2 HHPFWFRMM

1.85

-4.99

-3.14
3 HHFFWFLMM

1.98

-4.79

-2.81
4 HHFFWFRMM

2.13

-4.91

-2.78
5 HHPFIFRMM

1.81

-4.57

-2.76
6 HHPFIFLIM

1.85

-4.61

-2.76
7 HHIFWFKMM

2.8

-5.5

-2.7
8 HHFFIFLMM

2.03

-4.71

-2.68
9 HHIFIFRMM

2.83

-5.41

-2.58
10 HRFFIFKMM

1.92

-4.44

-2.52
11 HHIFIFKMM

2.83

-5.26

-2.43
12 HHPFIFKMM

2.05

-4.46

-2.41
13 HHIFIFLMM

3.18

-5.41

-2.23
14 HHPFWFLMM

2.79

-4.95

-2.16
15 HHFFIFLIM

2.08

-4.23

-2.15
16 HHIFIFKIM

1.85

-3.95

-2.1
17 HHIFWFRMM

2.98

-5.07

-2.09
18 HHIFIFLIM

2.79

-4.7

-1.91
19 HHFFWFKMM

3.08

-4.89

-1.81
20 HHPFIFLMM

3.01

-4.72

-1.71
21 HHFFIFRMM

3.0

-4.68

-1.68
22 HHFFIFRIM

2.98

-4.64

-1.66
23 HHFFIFKMM

3.12

-4.44

-1.32
24 HHPFIFKIM

2.91

-4.15

-1.24
25 HHFFWFLIM

3.12

-4.18

-1.06
26 HHPFWFKIM

2.99

-4.02

-1.03
27 HHIFWFKIM

3.08

-4.1

-1.02
28 HHPFWFKMM

3.21

-3.97

-0.76
29 HHFFWFKIM

3.18

-3.84

-0.66
30 HHFFIFKIM

3.72

-2.83

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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