Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-11.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 4.119 ΔGbinding 1.458
TOTAL
 5.577
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.906
Van der Waals -3.413 Backbone clash 0.020
Electrostatics 0.127 Helix dipole 0.000
Solvation Polar 3.987 Water bridges -0.000
Solvation Hyd -4.363 Disulfide 0.000
VdW clashes 0.986 Electrost. Kon 0.142
Entropy sc 0.222 Part.cov.bonds 0.000
Entropy mc

2.865

 ΔGstability

8.770
       

Predicted ligand sequences for model [MYO3_1VA7-11.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).
 
  MYO3_1VA7-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKWMPPR 0.0
2 RMWMPPR 0.01
3 RKWIPPR 0.02
4 RKPMPPR 0.03
5 RMWIPPR 0.03
6 RMPMPPR 0.04
7 YKWMPPR 0.05
8 RKPIPPR 0.05
9 YMWMPPR 0.06
10 RMPIPPR 0.06
11 YKWIPPR 0.06
12 YMWIPPR 0.07
13 YKPMPPR 0.08
14 RKWMPPK 0.09
15 YMPMPPR 0.09
16 RMWMPPK 0.1
17 YKPIPPR 0.1
18 RKWIPPK 0.1
19 RMWIPPK 0.11
20 YMPIPPR 0.11
21 RKPMPPK 0.12
22 YKWMPPK 0.13
23 RMPMPPK 0.13
24 RRWMPPR 0.13
25 YMWMPPK 0.14
26 RKPIPPK 0.14
27 RRWIPPR 0.14
28 RMPIPPK 0.15
29 YKWIPPK 0.15
30 RRPMPPR 0.16
31 YMWIPPK 0.16
32 YRWMPPR 0.17
33 RKWMPGR 0.17
34 YKPMPPK 0.17
35 YKPIPPK 0.18
36 YMPMPPK 0.18
37 RRPIPPR 0.18
38 RMWMPGR 0.18
39 YRWIPPR 0.19
40 RKWIPGR 0.19
41 YMPIPPK 0.19
42 RKPMPGR 0.2
43 RMWIPGR 0.2
44 YRPMPPR 0.21
45 RMPMPGR 0.21
46 RRWMPPK 0.21
47 RKPIPGR 0.22
48 YKWMPGR 0.22
49 YRPIPPR 0.22
50 RKWMPSR 0.22
51 YKWIPGR 0.23
52 RMPIPGR 0.23
53 YMWMPGR 0.23
54 RMWMPSR 0.23
55 RRWIPPK 0.23
56 YMWIPGR 0.24
57 RKWIPSR 0.24
58 RMWIPSR 0.25
59 RRPMPPK 0.25
60 YKPMPGR 0.25
61 YRWMPPK 0.26
62 RKPMPSR 0.26
63 RKWMPGK 0.26
64 RRPIPPK 0.26
65 YMPMPGR 0.26
66 YKWMPSR 0.27
67 RKRMPPR 0.27
68 YKPIPGR 0.27
69 RKWIPGK 0.27
70 RMPMPSR 0.27
71 RMWMPGK 0.27
72 YRWIPPK 0.28
73 RKPIPSR 0.28
74 RMRMPPR 0.28
75 RMPIPSR 0.28
76 YMWMPSR 0.28
77 RMWIPGK 0.28
78 YMPIPGR 0.28
79 YRPMPPK 0.29
80 YKWIPSR 0.29
81 RKPMPGK 0.29
82 RKRIPPR 0.29
83 YMWIPSR 0.3
84 RMRIPPR 0.3
85 RRWMPGR 0.3
86 YKWMPGK 0.3
87 YKPMPSR 0.3
88 RMPMPGK 0.3
89 YMPMPSR 0.31
90 YMWMPGK 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YMWMPPK

2.3

-7.36

-5.06
2 YMWMPPR

2.37

-7.41

-5.04
3 YKWMPPK

2.43

-7.35

-4.92
4 RKPIPPR

2.5

-7.06

-4.56
5 RMPIPPK

2.45

-6.99

-4.54
6 RRWIPPR

2.66

-7.15

-4.49
7 RMPMPPK

2.52

-6.98

-4.46
8 YKPMPPR

2.83

-7.19

-4.36
9 RKWMPPR

2.48

-6.78

-4.3
10 RKPMPPK

2.31

-6.61

-4.3
11 RMWMPPK

2.65

-6.94

-4.29
12 RMWIPPR

2.9

-7.17

-4.27
13 RKWMPPK

2.35

-6.55

-4.2
14 RKPMPPR

2.34

-6.53

-4.19
15 YMPIPPR

2.35

-6.51

-4.16
16 YMPMPPR

2.35

-6.5

-4.15
17 RKWIPPK

2.61

-6.75

-4.14
18 YKWMPPR

2.97

-7.09

-4.12
19 RMWMPPR

2.41

-6.51

-4.1
20 YKPIPPR

2.43

-6.53

-4.1
21 RMPMPPR

2.45

-6.53

-4.08
22 RMWIPPK

1.61

-5.69

-4.08
23 RRWMPPR

2.7

-6.64

-3.94
24 YKWIPPK

2.41

-6.3

-3.89
25 RRPMPPR

2.53

-6.39

-3.86
26 RKWIPPR

3.24

-6.79

-3.55
27 RMPIPPR

2.64

-6.16

-3.52
28 YMWIPPR

3.29

-6.67

-3.38
29 RKPIPPK

2.42

-5.79

-3.37
30 YKWIPPR

3.22

-6.59

-3.37

 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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