Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-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 3.988 ΔGbinding -1.087
TOTAL
 2.901
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.491
Van der Waals -2.265 Backbone clash 0.006
Electrostatics 0.184 Helix dipole 0.000
Solvation Polar 2.440 Water bridges 0.000
Solvation Hyd -3.269 Disulfide 0.000
VdW clashes 0.070 Electrost. Kon 0.111
Entropy sc 0.885 Part.cov.bonds 0.000
Entropy mc

2.041

 ΔGstability

75.129
       

Predicted ligand sequences for model [FUS1_1FYN-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).
 
  FUS1_1FYN-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPMPRL 0.0
2 FRPMPPL 0.09
3 FRWMPRL 0.13
4 MRPMPRL 0.19
5 FRWMPPL 0.22
6 FRPMPGL 0.22
7 FRRMPRL 0.26
8 FRPMPRN 0.27
9 MRPMPPL 0.28
10 MRWMPRL 0.32
11 FNPMPRL 0.32
12 FRWMPGL 0.35
13 FRRMPPL 0.35
14 FRPMPPN 0.36
15 FRPIPRL 0.39
16 FRWMPRN 0.4
17 MRPMPGL 0.41
18 MRWMPPL 0.41
19 FNPMPPL 0.41
20 FRPRPRL 0.43
21 FNWMPRL 0.45
22 MRRMPRL 0.45
23 MRPMPRN 0.46
24 FRPMPRS 0.46
25 FRPIPPL 0.48
26 FRRMPGL 0.48
27 FRWMPPN 0.49
28 FRPMPGN 0.49
29 FRPMRRL 0.49
30 MNPMPRL 0.51
31 FRWIPRL 0.52
32 FRPRPPL 0.52
33 FRRMPRN 0.53
34 MRWMPGL 0.54
35 MRRMPPL 0.54
36 FNWMPPL 0.54
37 FNPMPGL 0.54
38 MRPMPPN 0.55
39 FRPMPPS 0.55
40 FRWRPRL 0.56
41 FRPMRPL 0.58
42 MRPIPRL 0.58
43 FNRMPRL 0.58
44 MRWMPRN 0.59
45 FNPMPRN 0.59
46 FRWMPRS 0.59
47 MNPMPPL 0.6
48 FRWIPPL 0.6
49 FRPIPGL 0.61
50 FRRMPPN 0.61
51 MRPRPRL 0.62
52 FRWMPGN 0.62
53 FRWMRRL 0.62
54 MNWMPRL 0.64
55 FRRIPRL 0.64
56 MRPMPRS 0.65
57 FRWRPPL 0.65
58 FRPRPGL 0.65
59 FRPIPRN 0.66
60 MRPIPPL 0.67
61 FNRMPPL 0.67
62 MRRMPGL 0.67
63 FNWMPGL 0.67
64 FRWMPPS 0.68
65 MRPMPGN 0.68
66 FRPMPGS 0.68
67 MRPMRRL 0.68
68 MRWMPPN 0.68
69 FNPMPPN 0.68
70 FRRRPRL 0.69
71 FRPRPRN 0.7
72 MRWIPRL 0.71
73 FRWMRPL 0.71
74 MRPRPPL 0.71
75 FNPIPRL 0.71
76 FRPMRGL 0.71
77 FNWMPRN 0.72
78 FRRMPRS 0.72
79 MRRMPRN 0.72
80 FRRIPPL 0.73
81 MNPMPGL 0.73
82 MNWMPPL 0.73
83 MRPMPPS 0.74
84 FRRMRRL 0.74
85 FRWIPGL 0.74
86 FRPIPPN 0.75
87 FRRMPGN 0.75
88 FNPRPRL 0.75
89 MRWRPRL 0.75
90 FRPMRRN 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPMRRL

2.59

-7.1

-4.51
2 FRPMPPL

2.13

-6.48

-4.35
3 FRWMPPL

2.2

-6.12

-3.92
4 FRPMPRL

2.8

-6.58

-3.78
5 FRPMPPN

2.01

-5.7

-3.69
6 FRRMPPL

3.27

-6.41

-3.14
7 MRWMPRL

2.4

-5.34

-2.94
8 FRPMPGL

2.01

-4.94

-2.93
9 MRPMPRN

2.09

-4.99

-2.9
10 FRPRPRL

2.51

-5.29

-2.78
11 FRRMPGL

2.29

-5.06

-2.77
12 MRPMPGL

2.82

-5.55

-2.73
13 MRPMPPL

3.92

-6.63

-2.71
14 FNWMPRL

2.99

-5.62

-2.63
15 FRPIPPL

2.01

-4.62

-2.61
16 FRPMPGN

2.11

-4.65

-2.54
17 FRPMPRN

2.45

-4.97

-2.52
18 FRWMPGL

1.85

-4.3

-2.45
19 MRWMPPL

3.3

-5.73

-2.43
20 FRRMPRL

2.86

-5.25

-2.39
21 FNPMPPL

1.84

-4.12

-2.28
22 FNPMPRL

2.2

-4.4

-2.2
23 FRPIPRL

2.84

-5.0

-2.16
24 MRPMPRL

2.22

-4.34

-2.12
25 MNPMPRL

2.9

-4.87

-1.97
26 FRWMPRN

3.51

-5.33

-1.82
27 FRWMPPN

2.2

-3.98

-1.78
28 FRPMPRS

3.02

-4.79

-1.77
29 MRRMPRL

3.33

-5.06

-1.73
30 FRWMPRL

3.25

-4.19

-0.94

 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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