Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-17.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    

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Intraclash 6.406 ΔGbinding 5.307
TOTAL
 11.713
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.902
Van der Waals -4.191 Backbone clash 0.135
Electrostatics 0.217 Helix dipole 0.000
Solvation Polar 4.938 Water bridges -0.002
Solvation Hyd -5.937 Disulfide 0.000
VdW clashes 5.589 Electrost. Kon 0.239
Entropy sc 1.470 Part.cov.bonds 0.000
Entropy mc

3.856

 ΔGstability

94.603
       

Predicted ligand sequences for model [FUS1_1PWT-17.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).
 
  FUS1_1PWT-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFEKGFWR 0.0
2 RRWEKGFWR 0.01
3 MRFEKGFWR 0.06
4 MRWEKGFWR 0.07
5 RRYEKGFWR 0.09
6 RRFYKGFWR 0.13
7 RRWYKGFWR 0.14
8 MRYEKGFWR 0.15
9 MRFYKGFWR 0.19
10 MRWYKGFWR 0.2
11 RRYYKGFWR 0.23
12 RRFEKGFWY 0.23
13 RRWEKGFWY 0.25
14 RRFERGFWR 0.26
15 RRWERGFWR 0.27
16 RRFEKGFWM 0.28
17 RRFEKGWWR 0.28
18 MRYYKGFWR 0.28
19 RRWEKGFWM 0.29
20 RRWEKGWWR 0.29
21 MRFEKGFWY 0.29
22 MRWEKGFWY 0.3
23 MRFERGFWR 0.32
24 MRFEKGWWR 0.33
25 MRWERGFWR 0.33
26 RRYEKGFWY 0.33
27 MRWEKGWWR 0.34
28 MRFEKGFWM 0.34
29 MRWEKGFWM 0.35
30 RRYERGFWR 0.36
31 RRFEKGYWR 0.37
32 RRYEKGWWR 0.37
33 RRFYKGFWY 0.37
34 RRYEKGFWM 0.37
35 RRWYKGFWY 0.38
36 MRYEKGFWY 0.39
37 RRFYRGFWR 0.39
38 RRWEKGYWR 0.39
39 RRWYRGFWR 0.41
40 RRFYKGWWR 0.41
41 RRFYKGFWM 0.41
42 MRYERGFWR 0.41
43 MRFYKGFWY 0.42
44 RRWYKGFWM 0.42
45 RRWYKGWWR 0.42
46 MRYEKGFWM 0.43
47 MRYEKGWWR 0.43
48 MRFEKGYWR 0.43
49 MRWYKGFWY 0.44
50 MRWEKGYWR 0.44
51 RRFEKGFSR 0.45
52 MRFYRGFWR 0.45
53 RRYYKGFWY 0.46
54 RRWEKGFSR 0.46
55 MRWYRGFWR 0.46
56 MRFYKGWWR 0.47
57 RRYEKGYWR 0.47
58 MRFYKGFWM 0.47
59 MRWYKGFWM 0.48
60 MRWYKGWWR 0.48
61 RRYYRGFWR 0.49
62 RRYYKGFWM 0.5
63 RRYYKGWWR 0.5
64 RRFERGFWY 0.5
65 MRFEKGFSR 0.5
66 MRWEKGFSR 0.51
67 RRWERGFWY 0.51
68 RRFYKGYWR 0.51
69 RRFEKGWWY 0.51
70 MRYYKGFWY 0.52
71 RRWEKGWWY 0.52
72 RRWYKGYWR 0.52
73 MRYEKGYWR 0.53
74 RRYEKGFSR 0.54
75 RRFERGWWR 0.54
76 RRFERGFWM 0.54
77 RRWERGFWM 0.55
78 MRYYRGFWR 0.55
79 RRWERGWWR 0.55
80 RRFEKGWWM 0.55
81 MRFERGFWY 0.55
82 RRWEKGWWM 0.56
83 MRFYKGYWR 0.56
84 MRYYKGWWR 0.56
85 MRYYKGFWM 0.56
86 MRFEKGWWY 0.57
87 MRWYKGYWR 0.57
88 MRWERGFWY 0.57
89 RRFYKGFSR 0.58
90 MRWEKGWWY 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRWERGFWR

6.44

-7.39

-0.95
2 RRFEKGFWY

4.83

-5.53

-0.7
3 MRFEKGFWM

5.79

-6.36

-0.57
4 RRWERGFWR

6.53

-6.91

-0.38
5 RRYYKGFWR

5.78

-5.96

-0.18
6 RRWEKGWWR

5.49

-5.62

-0.13
7 MRWEKGWWR

5.45

-5.53

-0.08
8 RRFERGFWR

5.67

-5.69

-0.02
9 RRYEKGFWY

6.49

-6.49

0.0
10 MRFEKGFWY

5.72

-5.56

0.16
11 RRYERGFWR

6.56

-6.25

0.31
12 RRFEKGWWR

5.51

-4.93

0.58
13 MRFEKGFWR

5.59

-5.0

0.59
14 MRWEKGFWY

5.84

-4.97

0.87
15 RRYEKGFWR

6.38

-5.1

1.28
16 RRFEKGFWM

6.07

-4.79

1.28
17 RRWEKGFWM

7.41

-5.97

1.44
18 RRWEKGFWY

6.33

-4.77

1.56
19 MRFEKGWWR

6.08

-4.51

1.57
20 MRYEKGFWR

4.46

-2.73

1.73
21 MRFERGFWR

6.55

-4.8

1.75
22 RRFEKGFWR

7.14

-4.97

2.17
23 MRWEKGFWR

5.84

-3.62

2.22
24 RRWEKGFWR

7.4

-4.58

2.82
25 MRYYKGFWR

5.3

-2.43

2.87
26 MRWEKGFWM

7.23

-4.12

3.11
27 MRFYKGFWR

6.2

-2.66

3.54
28 RRFYKGFWR

7.64

-2.87

4.77
29 MRWYKGFWR

5.83

-0.39

5.44
30 RRWYKGFWR

7.1

-1.0

6.1

 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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