Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-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    

(Help)

Intraclash 2.859 ΔGbinding -1.073
TOTAL
 1.786
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.182
Van der Waals -1.491 Backbone clash -0.000
Electrostatics 0.026 Helix dipole 0.000
Solvation Polar 1.664 Water bridges -0.004
Solvation Hyd -2.232 Disulfide 0.000
VdW clashes 0.054 Electrost. Kon 0.093
Entropy sc 0.321 Part.cov.bonds 0.000
Entropy mc

1.592

 ΔGstability

75.657
       

Predicted ligand sequences for model [FUS1_1FYN-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).
 
  FUS1_1FYN-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPMWPRW 0.0
2 MPMWPRW 0.0
3 MPRWPRW 0.02
4 RPRWPRW 0.02
5 MPMWRRW 0.09
6 RPMWRRW 0.1
7 MPRWRRW 0.11
8 RPRWRRW 0.11
9 RPMWPRR 0.12
10 MPMWPRR 0.12
11 MPRWPRR 0.14
12 RPRWPRR 0.14
13 RPMWRRR 0.22
14 MPMWRRR 0.22
15 MKMWPRW 0.23
16 MPRWRRR 0.23
17 RKMWPRW 0.23
18 RPRWRRR 0.24
19 RRMWPRW 0.25
20 RKRWPRW 0.25
21 MRMWPRW 0.25
22 MKRWPRW 0.25
23 MRRWPRW 0.27
24 RRRWPRW 0.27
25 MPMWPRH 0.28
26 RPMWPRH 0.29
27 MPRWPRH 0.3
28 RPRWPRH 0.3
29 MKMWRRW 0.32
30 RKMWRRW 0.33
31 RKRWRRW 0.34
32 MKRWRRW 0.34
33 MRMWRRW 0.34
34 RRMWRRW 0.35
35 MKMWPRR 0.35
36 RKMWPRR 0.35
37 MRRWRRW 0.36
38 RRRWRRW 0.36
39 MPMWHRW 0.36
40 RKRWPRR 0.37
41 RPMWHRW 0.37
42 MKRWPRR 0.37
43 MRMWPRR 0.37
44 RRMWPRR 0.38
45 RPRWHRW 0.38
46 RPMWRRH 0.38
47 MPMWRRH 0.38
48 MPRWHRW 0.38
49 MRRWPRR 0.39
50 MPRWRRH 0.39
51 RRRWPRR 0.39
52 RPRWRRH 0.4
53 RKMWRRR 0.45
54 MKMWRRR 0.45
55 MKRWRRR 0.46
56 RKRWRRR 0.47
57 RRMWRRR 0.47
58 MRMWRRR 0.47
59 MRRWRRR 0.48
60 MPMWHRR 0.48
61 RRRWRRR 0.49
62 RPMWHRR 0.49
63 MPRWHRR 0.5
64 MKMWPRH 0.51
65 RPRWHRR 0.51
66 RKMWPRH 0.52
67 RKRWPRH 0.53
68 MKRWPRH 0.53
69 MRMWPRH 0.53
70 RRMWPRH 0.54
71 MRRWPRH 0.55
72 RRRWPRH 0.55
73 MKMWHRW 0.59
74 RKMWHRW 0.6
75 RKRWHRW 0.61
76 RKMWRRH 0.61
77 MKMWRRH 0.61
78 MKRWHRW 0.61
79 MRMWHRW 0.61
80 RRMWHRW 0.62
81 MKRWRRH 0.62
82 RRMWRRH 0.63
83 RRRWHRW 0.63
84 MRMWRRH 0.63
85 RKRWRRH 0.63
86 MRRWHRW 0.63
87 MRRWRRH 0.65
88 RRRWRRH 0.65
89 MPMWHRH 0.65
90 RPMWHRH 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPMWPRW

2.12

-7.86

-5.74
2 RPMWPRR

2.39

-8.0

-5.61
3 RPRWRRR

2.89

-8.09

-5.2
4 RRMWPRW

2.35

-7.38

-5.03
5 MPMWRRW

2.05

-7.02

-4.97
6 RPMWPRH

3.02

-7.84

-4.82
7 RPRWPRR

3.79

-8.44

-4.65
8 RPMWRRR

3.87

-8.24

-4.37
9 RKMWPRW

3.26

-7.57

-4.31
10 RPMWRRW

2.83

-7.06

-4.23
11 MPRWPRH

1.95

-6.08

-4.13
12 RRRWPRW

2.99

-7.04

-4.05
13 MKMWRRW

3.33

-7.29

-3.96
14 MPMWRRR

3.6

-7.56

-3.96
15 MRRWPRW

3.51

-7.38

-3.87
16 MRMWPRW

3.43

-7.28

-3.85
17 RPRWRRW

3.46

-7.26

-3.8
18 MPRWPRR

3.89

-7.65

-3.76
19 MKMWPRW

3.28

-6.95

-3.67
20 MPMWPRH

2.36

-6.01

-3.65
21 MPRWRRR

3.67

-7.24

-3.57
22 RKMWRRW

2.71

-6.2

-3.49
23 MPMWPRW

4.49

-7.63

-3.14
24 MPRWRRW

2.92

-5.98

-3.06
25 MKRWPRW

3.35

-6.39

-3.04
26 MPMWPRR

3.08

-5.96

-2.88
27 MPRWPRW

2.27

-4.89

-2.62
28 RKRWPRW

3.54

-5.84

-2.3
29 RPRWPRH

3.5

-5.58

-2.08
30 RPRWPRW

2.23

-3.5

-1.27

 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