Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-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 0.428 ΔGbinding -0.911
TOTAL
 -0.483
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.271
Van der Waals -2.303 Backbone clash 0.002
Electrostatics -0.031 Helix dipole 0.000
Solvation Polar 2.685 Water bridges 0.000
Solvation Hyd -3.044 Disulfide 0.000
VdW clashes 0.243 Electrost. Kon -0.026
Entropy sc 0.553 Part.cov.bonds 0.000
Entropy mc

2.015

 ΔGstability

2.855
       

Predicted ligand sequences for model [MYO5_1RUW-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).
 
  MYO5_1RUW-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLFPWH 0.0
2 RRLFPWH 0.14
3 YPLFPWH 0.17
4 RELFPWH 0.21
5 RPLFPWY 0.21
6 RKLFPWH 0.23
7 KPLFPWH 0.23
8 RPLFEWH 0.28
9 YRLFPWH 0.3
10 RRLFPWY 0.35
11 YELFPWH 0.37
12 KRLFPWH 0.37
13 YPLFPWY 0.38
14 RPLFKWH 0.39
15 RPLFRWH 0.4
16 YKLFPWH 0.4
17 RRLFEWH 0.42
18 RELFPWY 0.42
19 KELFPWH 0.43
20 KPLFPWY 0.44
21 YPLFEWH 0.45
22 RKLFPWY 0.45
23 KKLFPWH 0.46
24 RELFEWH 0.49
25 RPLFEWY 0.5
26 KPLFEWH 0.51
27 RKLFEWH 0.52
28 YRLFPWY 0.52
29 RRLFRWH 0.53
30 RRLFKWH 0.53
31 YPLFKWH 0.56
32 YPLFRWH 0.56
33 KRLFPWY 0.58
34 YELFPWY 0.59
35 YRLFEWH 0.59
36 RELFRWH 0.6
37 RELFKWH 0.6
38 RPLFKWY 0.61
39 YKLFPWY 0.61
40 RPLFRWY 0.61
41 KPLFRWH 0.62
42 KPLFKWH 0.62
43 RKLFKWH 0.63
44 RKLFRWH 0.63
45 RRLFEWY 0.64
46 KELFPWY 0.65
47 KRLFEWH 0.65
48 YELFEWH 0.66
49 YPLFEWY 0.66
50 YKLFEWH 0.68
51 KKLFPWY 0.68
52 RELFEWY 0.7
53 YRLFKWH 0.7
54 YRLFRWH 0.7
55 KELFEWH 0.72
56 KPLFEWY 0.73
57 RKLFEWY 0.73
58 KKLFEWH 0.74
59 RRLFRWY 0.75
60 RRLFKWY 0.75
61 KRLFKWH 0.76
62 KRLFRWH 0.76
63 YPLFKWY 0.77
64 YELFKWH 0.77
65 YELFRWH 0.77
66 YPLFRWY 0.78
67 YKLFKWH 0.79
68 YKLFRWH 0.79
69 YRLFEWY 0.8
70 RELFKWY 0.81
71 RELFRWY 0.82
72 KELFRWH 0.83
73 KELFKWH 0.83
74 KPLFRWY 0.84
75 KPLFKWY 0.84
76 RKLFKWY 0.84
77 RKLFRWY 0.84
78 KKLFKWH 0.85
79 KKLFRWH 0.86
80 KRLFEWY 0.86
81 YELFEWY 0.87
82 YKLFEWY 0.9
83 YRLFKWY 0.91
84 YRLFRWY 0.91
85 KELFEWY 0.93
86 KKLFEWY 0.96
87 KRLFKWY 0.97
88 YELFKWY 0.98
89 YELFRWY 0.98
90 KRLFRWY 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RELFPWY

2.15

-8.17

-6.02
2 KPLFPWY

1.39

-7.24

-5.85
3 YPLFPWY

1.49

-7.07

-5.58
4 RRLFPWY

1.56

-7.11

-5.55
5 RKLFPWY

2.06

-7.56

-5.5
6 RPLFKWH

1.63

-7.1

-5.47
7 RPLFPWY

1.34

-6.71

-5.37
8 RPLFPWH

1.84

-7.17

-5.33
9 YELFPWH

1.33

-6.64

-5.31
10 RRLFPWH

2.04

-7.14

-5.1
11 YRLFPWY

1.75

-6.78

-5.03
12 YKLFPWH

1.28

-6.29

-5.01
13 RKLFPWH

1.83

-6.83

-5.0
14 YPLFEWH

1.29

-6.17

-4.88
15 YPLFPWH

1.16

-5.95

-4.79
16 RRLFRWH

1.16

-5.93

-4.77
17 RPLFRWH

2.15

-6.88

-4.73
18 KPLFPWH

1.17

-5.9

-4.73
19 KELFPWH

0.97

-5.69

-4.72
20 RPLFEWY

1.64

-6.34

-4.7
21 RPLFEWH

1.45

-6.08

-4.63
22 RELFPWH

1.13

-5.75

-4.62
23 KPLFEWH

1.3

-5.91

-4.61
24 KKLFPWH

1.12

-5.6

-4.48
25 RRLFKWH

1.27

-5.68

-4.41
26 RRLFEWH

1.11

-5.49

-4.38
27 YRLFPWH

1.47

-5.58

-4.11
28 RELFEWH

1.59

-5.48

-3.89
29 KRLFPWH

1.23

-5.06

-3.83
30 RKLFEWH

1.46

-5.01

-3.55

 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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