Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-23.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 0.186 ΔGbinding -0.547
TOTAL
 -0.361
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.253
Van der Waals -2.073 Backbone clash 0.002
Electrostatics -0.045 Helix dipole 0.000
Solvation Polar 2.242 Water bridges 0.000
Solvation Hyd -2.685 Disulfide 0.000
VdW clashes 0.083 Electrost. Kon -0.038
Entropy sc 0.267 Part.cov.bonds 0.000
Entropy mc

1.450

 ΔGstability

6.231
       

Predicted ligand sequences for model [MYO3_1R6S-23.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_1R6S-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRLMPWH 0.0
2 YPLMPWH 0.02
3 YKLMPWH 0.09
4 YRLMRWH 0.12
5 YRIMPWH 0.12
6 YPIMPWH 0.14
7 YPLMRWH 0.14
8 YKLMRWH 0.21
9 YKIMPWH 0.21
10 YRLMEWH 0.23
11 YRIMRWH 0.25
12 YPLMEWH 0.25
13 YPIMRWH 0.27
14 YRLIPWH 0.3
15 YRLYPWH 0.31
16 YKLMEWH 0.32
17 YPLIPWH 0.32
18 YPLYPWH 0.33
19 RRLMPWH 0.34
20 YKIMRWH 0.34
21 RPLMPWH 0.35
22 YRIMEWH 0.36
23 YPIMEWH 0.38
24 YKLIPWH 0.39
25 YKLYPWH 0.4
26 YRIIPWH 0.42
27 YRLIRWH 0.42
28 YRLYRWH 0.43
29 RKLMPWH 0.43
30 YRIYPWH 0.43
31 YPIIPWH 0.44
32 YPLIRWH 0.44
33 YKIMEWH 0.45
34 YPIYPWH 0.45
35 YPLYRWH 0.45
36 RRIMPWH 0.46
37 RRLMRWH 0.46
38 RPIMPWH 0.48
39 RPLMRWH 0.48
40 YKLYRWH 0.52
41 YKIYPWH 0.52
42 YKLIRWH 0.52
43 YKIIPWH 0.52
44 YRLIEWH 0.53
45 YRLYEWH 0.54
46 YPLIEWH 0.55
47 YRIIRWH 0.55
48 RKIMPWH 0.55
49 RKLMRWH 0.55
50 YRIYRWH 0.56
51 YPLYEWH 0.56
52 YPIIRWH 0.57
53 RRLMEWH 0.57
54 YPIYRWH 0.58
55 RRIMRWH 0.58
56 RPLMEWH 0.59
57 RPIMRWH 0.6
58 YKLIEWH 0.62
59 YKLYEWH 0.63
60 RRLIPWH 0.64
61 YKIIRWH 0.64
62 RRLYPWH 0.65
63 YKIYRWH 0.65
64 RKLMEWH 0.66
65 RPLIPWH 0.66
66 RPLYPWH 0.66
67 YRIIEWH 0.66
68 RKIMRWH 0.67
69 YRIYEWH 0.67
70 YPIIEWH 0.68
71 YPIYEWH 0.68
72 RRIMEWH 0.69
73 RPIMEWH 0.71
74 RKLIPWH 0.73
75 RKLYPWH 0.74
76 YKIIEWH 0.75
77 RRIIPWH 0.76
78 RRLIRWH 0.76
79 YKIYEWH 0.76
80 RRIYPWH 0.77
81 RRLYRWH 0.77
82 RPIIPWH 0.78
83 RPLIRWH 0.78
84 RKIMEWH 0.78
85 RPIYPWH 0.79
86 RPLYRWH 0.79
87 RKIIPWH 0.85
88 RKLIRWH 0.85
89 RKIYPWH 0.86
90 RKLYRWH 0.86
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPLMRWH

1.17

-7.57

-6.4
2 RPLMPWH

1.06

-7.13

-6.07
3 RKLMPWH

0.96

-6.41

-5.45
4 RRLMPWH

1.47

-6.45

-4.98
5 YRLMEWH

1.4

-6.33

-4.93
6 YKLMEWH

1.41

-6.26

-4.85
7 YRLMRWH

1.01

-5.81

-4.8
8 YKLMPWH

1.09

-5.88

-4.79
9 YKLMRWH

1.33

-5.81

-4.48
10 YRLMPWH

1.03

-5.46

-4.43
11 YPLMPWH

1.16

-5.52

-4.36
12 YPLMEWH

1.21

-5.45

-4.24
13 YPIMRWH

1.41

-5.62

-4.21
14 YKLIPWH

1.16

-5.35

-4.19
15 YPLIPWH

1.57

-5.68

-4.11
16 YRIMPWH

1.17

-5.18

-4.01
17 YRLIPWH

1.01

-5.0

-3.99
18 YKIMRWH

1.28

-5.22

-3.94
19 YRLIRWH

1.13

-5.06

-3.93
20 YRLYPWH

2.34

-6.26

-3.92
21 YRIMRWH

1.57

-5.44

-3.87
22 YPIMPWH

1.38

-5.23

-3.85
23 YPIMEWH

1.22

-4.88

-3.66
24 YPLYPWH

1.34

-4.96

-3.62
25 YKIMPWH

1.23

-4.72

-3.49
26 YKLYPWH

0.92

-4.4

-3.48
27 YRIMEWH

1.2

-4.68

-3.48
28 YRIIPWH

1.52

-4.82

-3.3
29 YRLYRWH

1.07

-4.3

-3.23
30 YRIYPWH

1.74

-3.24

-1.5

 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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