Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-20.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    

(Help)

Intraclash 0.391 ΔGbinding -1.804
TOTAL
 -1.413
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.058
Van der Waals -3.863 Backbone clash 0.066
Electrostatics 0.259 Helix dipole 0.000
Solvation Polar 4.539 Water bridges -0.076
Solvation Hyd -5.157 Disulfide 0.000
VdW clashes 0.268 Electrost. Kon 0.290
Entropy sc 0.942 Part.cov.bonds 0.000
Entropy mc

3.986

 ΔGstability

9.984
       

Predicted ligand sequences for model [MYO3_1YP5-20.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).
 
  MYO3_1YP5-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 MMFLHGRHY 0.0
2 YMFLHGRHY 0.03
3 MMFLRGRHY 0.03
4 MMRLHGRHY 0.05
5 MMKLHGRHY 0.05
6 YMFLRGRHY 0.07
7 MMRLRGRHY 0.08
8 YMKLHGRHY 0.08
9 MMKLRGRHY 0.08
10 YMRLHGRHY 0.08
11 MMFLKGRHY 0.08
12 MMFFHGRHY 0.09
13 YMKLRGRHY 0.12
14 YMRLRGRHY 0.12
15 YMFFHGRHY 0.12
16 YMFLKGRHY 0.12
17 MMFLHRRHY 0.12
18 MMFFRGRHY 0.12
19 MMRLKGRHY 0.13
20 MMKFHGRHY 0.13
21 MMKLKGRHY 0.13
22 MMRFHGRHY 0.14
23 MMFKHGRHY 0.14
24 NMFLHGRHY 0.15
25 YMFFRGRHY 0.15
26 YMFLHRRHY 0.16
27 MMFLRRRHY 0.16
28 MMFKRGRHY 0.17
29 MMRFRGRHY 0.17
30 YMRLKGRHY 0.17
31 YMKFHGRHY 0.17
32 YMKLKGRHY 0.17
33 MMKFRGRHY 0.17
34 YMFKHGRHY 0.17
35 MMKLHRRHY 0.17
36 YMRFHGRHY 0.17
37 MMFFKGRHY 0.17
38 NMFLRGRHY 0.18
39 MMRLHRRHY 0.18
40 MMRKHGRHY 0.19
41 YMFLRRRHY 0.19
42 MMKKHGRHY 0.19
43 YMFFKGRHY 0.2
44 NMKLHGRHY 0.2
45 NMRLHGRHY 0.2
46 YMKFRGRHY 0.2
47 YMRFRGRHY 0.2
48 YMFKRGRHY 0.21
49 MMFFHRRHY 0.21
50 YMRLHRRHY 0.21
51 MRFLHGRHY 0.21
52 MMRLRRRHY 0.21
53 MMFLKRRHY 0.21
54 MMKLRRRHY 0.21
55 YMKLHRRHY 0.21
56 YMRKHGRHY 0.22
57 MMRKRGRHY 0.22
58 MMKFKGRHY 0.22
59 MMKKRGRHY 0.22
60 MMRFKGRHY 0.22
61 MMFKKGRHY 0.22
62 YMKKHGRHY 0.22
63 NMKLRGRHY 0.23
64 NMRLRGRHY 0.23
65 NMFLKGRHY 0.23
66 NMFFHGRHY 0.23
67 YMRLRRRHY 0.24
68 YMKLRRRHY 0.24
69 MRFLRGRHY 0.24
70 MMFFRRRHY 0.24
71 YRFLHGRHY 0.24
72 YMFLKRRHY 0.24
73 YMFFHRRHY 0.24
74 YMKFKGRHY 0.25
75 YMRFKGRHY 0.25
76 YMKKRGRHY 0.25
77 MRKLHGRHY 0.26
78 MRRLHGRHY 0.26
79 MMRLKRRHY 0.26
80 MMKFHRRHY 0.26
81 MMRFHRRHY 0.26
82 MMKLKRRHY 0.26
83 YMRKRGRHY 0.26
84 MMFKHRRHY 0.26
85 YMFKKGRHY 0.26
86 MMKKKGRHY 0.27
87 NMFFRGRHY 0.27
88 MMRKKGRHY 0.27
89 NMRLKGRHY 0.28
90 YRFLRGRHY 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMFLKGRHY

2.13

-10.01

-7.88
2 YMFLRGRHY

2.18

-9.83

-7.65
3 MMFKRGRHY

2.01

-9.45

-7.44
4 MMFLHGRHY

2.72

-10.07

-7.35
5 YMFFRGRHY

2.04

-9.37

-7.33
6 MMFLRGRHY

2.86

-10.07

-7.21
7 MMKLKGRHY

2.65

-9.85

-7.2
8 MMKLHGRHY

2.78

-9.95

-7.17
9 MMRLHGRHY

2.88

-10.02

-7.14
10 MMKLRGRHY

2.78

-9.89

-7.11
11 MMRLKGRHY

2.65

-9.76

-7.11
12 YMRLHGRHY

2.76

-9.82

-7.06
13 YMRLRGRHY

2.91

-9.92

-7.01
14 YMKLRGRHY

2.72

-9.63

-6.91
15 MMFKHGRHY

2.1

-9.0

-6.9
16 MMRLRGRHY

2.92

-9.81

-6.89
17 YMKLHGRHY

2.91

-9.65

-6.74
18 YMFLKGRHY

2.8

-9.39

-6.59
19 YMFLHRRHY

3.83

-10.37

-6.54
20 NMFLHGRHY

2.73

-9.27

-6.54
21 YMRLKGRHY

2.89

-9.32

-6.43
22 MMFLRRRHY

4.17

-10.52

-6.35
23 YMFFHGRHY

2.13

-8.43

-6.3
24 YMFLHGRHY

3.15

-9.32

-6.17
25 MMFFRGRHY

2.88

-8.74

-5.86
26 MMFLHRRHY

4.37

-10.1

-5.73
27 MMFFHGRHY

2.83

-8.37

-5.54
28 MMKFHGRHY

2.7

-8.23

-5.53
29 MMRFHGRHY

4.36

-8.31

-3.95
30 MMRFRGRHY

4.48

-8.43

-3.95

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER