Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-29.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
 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 1.510 ΔGbinding -0.914
TOTAL
 0.596
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.568
Van der Waals -3.556 Backbone clash 0.009
Electrostatics 0.068 Helix dipole 0.000
Solvation Polar 3.806 Water bridges -0.000
Solvation Hyd -4.598 Disulfide 0.000
VdW clashes 0.021 Electrost. Kon 0.086
Entropy sc 0.244 Part.cov.bonds 0.000
Entropy mc

2.447

 ΔGstability

4.313
       

Predicted ligand sequences for model [MYO3_1VA7-29.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).
 
  MYO3_1VA7-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYLPRPFRWH 0.0
2 RYWPRPFRWH 0.0
3 KYWPRPFRWH 0.03
4 KYLPRPFRWH 0.04
5 HYLPRPFRWH 0.05
6 HYWPRPFRWH 0.05
7 RYLPRPFRWR 0.06
8 RYWPRPFRWR 0.06
9 KYWPRPFRWR 0.09
10 KYLPRPFRWR 0.09
11 HYWPRPFRWR 0.1
12 HYLPRPFRWR 0.11
13 RYWFRPFRWH 0.19
14 RYLPRPFRWK 0.2
15 RYLFRPFRWH 0.2
16 RYWPRPFRWK 0.2
17 KYLFRPFRWH 0.23
18 KYWFRPFRWH 0.23
19 KYWPRPFRWK 0.23
20 KYLPRPFRWK 0.23
21 HYWPRPFRWK 0.24
22 HYLFRPFRWH 0.24
23 HYWFRPFRWH 0.24
24 RYWFRPFRWR 0.25
25 RYLFRPFRWR 0.25
26 HYLPRPFRWK 0.25
27 RYWIRPFRWH 0.27
28 RYLIRPFRWH 0.27
29 KYWFRPFRWR 0.28
30 KYLFRPFRWR 0.29
31 KYLIRPFRWH 0.3
32 HYLFRPFRWR 0.3
33 HYWFRPFRWR 0.3
34 KYWIRPFRWH 0.3
35 HYWIRPFRWH 0.31
36 HYLIRPFRWH 0.32
37 RIWPRPFRWH 0.32
38 RILPRPFRWH 0.32
39 RYWIRPFRWR 0.33
40 RYRPRPFRWH 0.33
41 RYWPFPFRWH 0.33
42 RYLPFPFRWH 0.33
43 RYLIRPFRWR 0.33
44 RYWPIPFRWH 0.34
45 RYLPIPFRWH 0.35
46 KIWPRPFRWH 0.35
47 KILPRPFRWH 0.35
48 KYWPFPFRWH 0.36
49 KYLIRPFRWR 0.36
50 HIWPRPFRWH 0.36
51 KYWIRPFRWR 0.36
52 RYWPRIFRWH 0.36
53 KYRPRPFRWH 0.36
54 RYLPRIFRWH 0.36
55 KYLPFPFRWH 0.37
56 RYLPRRFRWH 0.37
57 HYLIRPFRWR 0.37
58 HILPRPFRWH 0.37
59 HYRPRPFRWH 0.37
60 HYWIRPFRWR 0.37
61 RYWPRRFRWH 0.37
62 RYWPRPPRWH 0.38
63 RYLPRPPRWH 0.38
64 RYRPRPFRWR 0.38
65 HYWPFPFRWH 0.38
66 HYLPFPFRWH 0.38
67 RIWPRPFRWR 0.38
68 RILPRPFRWR 0.38
69 KYLPIPFRWH 0.38
70 KYWPIPFRWH 0.38
71 RYWFRPFRWK 0.39
72 RYLFRPFRWK 0.39
73 HYLPIPFRWH 0.39
74 RYWPFPFRWR 0.39
75 RYLPFPFRWR 0.39
76 HYWPIPFRWH 0.39
77 KYWPRIFRWH 0.4
78 KYLPRIFRWH 0.4
79 KYLPRRFRWH 0.4
80 RYWPIPFRWR 0.4
81 RYLPIPFRWR 0.4
82 KYWPRRFRWH 0.4
83 HYLPRIFRWH 0.41
84 HYWPRRFRWH 0.41
85 KYWPRPPRWH 0.41
86 HYWPRIFRWH 0.41
87 KYLPRPPRWH 0.41
88 KIWPRPFRWR 0.41
89 KILPRPFRWR 0.41
90 KYLPFPFRWR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KYLPRPFRWR

2.84

-9.71

-6.87
2 RYLPRPFRWK

2.7

-8.93

-6.23
3 RYWFRPFRWR

2.81

-8.85

-6.04
4 KYWFRPFRWH

2.87

-8.87

-6.0
5 KYWPRPFRWK

2.99

-8.86

-5.87
6 RYLIRPFRWH

2.88

-8.49

-5.61
7 KYWPRPFRWH

3.03

-8.54

-5.51
8 HYWFRPFRWH

2.82

-8.26

-5.44
9 HYWPRPFRWH

2.78

-8.19

-5.41
10 KYLPRPFRWH

3.2

-8.59

-5.39
11 HYWPRPFRWK

2.73

-8.08

-5.35
12 RYWPRPFRWR

3.11

-8.24

-5.13
13 HYLFRPFRWH

2.82

-7.92

-5.1
14 RYLFRPFRWH

3.02

-8.07

-5.05
15 KYLFRPFRWH

2.89

-7.59

-4.7
16 RYWPRPFRWH

3.16

-7.64

-4.48
17 RYWFRPFRWH

3.18

-7.4

-4.22
18 KYWFRPFRWR

3.03

-7.24

-4.21
19 RYWIRPFRWH

3.01

-7.12

-4.11
20 HYLPRPFRWR

3.04

-6.95

-3.91
21 HYLPRPFRWH

2.76

-6.67

-3.91
22 HYWPRPFRWR

3.17

-7.02

-3.85
23 RYLPRPFRWH

2.8

-6.48

-3.68
24 HYLPRPFRWK

3.06

-6.72

-3.66
25 KYLPRPFRWK

3.03

-6.6

-3.57
26 RYLFRPFRWR

3.11

-6.5

-3.39
27 KYWPRPFRWR

2.89

-5.94

-3.05
28 RYWPRPFRWK

3.5

-6.55

-3.05
29 KYLFRPFRWR

3.25

-6.1

-2.85
30 RYLPRPFRWR

3.7

-6.55

-2.85

 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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