Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-29.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 10
poly-Ala
A
A
 A
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 6.453 ΔGbinding -1.647
TOTAL
 4.806
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.213
Van der Waals -2.659 Backbone clash 0.000
Electrostatics 0.020 Helix dipole 0.000
Solvation Polar 3.079 Water bridges -0.000
Solvation Hyd -3.685 Disulfide 0.000
VdW clashes 0.137 Electrost. Kon -0.035
Entropy sc 0.314 Part.cov.bonds 0.000
Entropy mc

2.245

 ΔGstability

78.673
       

Predicted ligand sequences for model [FUS1_1FYN-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KFRPWMPMRF 0.0
2 KFRMWMPMRF 0.02
3 KFRPWMPMMF 0.03
4 KFRMWMPMMF 0.05
5 HFRPWMPMRF 0.06
6 KFRFWMPMRF 0.07
7 HFRPWMPMMF 0.08
8 HFRMWMPMRF 0.08
9 RFRPWMPMRF 0.1
10 KFRFWMPMMF 0.1
11 HFRMWMPMMF 0.1
12 RFRPWMPMMF 0.12
13 RFRMWMPMRF 0.12
14 HFRFWMPMRF 0.13
15 RFRMWMPMMF 0.14
16 HFRFWMPMMF 0.15
17 RFRFWMPMRF 0.17
18 RFRFWMPMMF 0.19
19 KFRPWMWMRF 0.2
20 KFRMWMWMRF 0.22
21 KFRPWMWMMF 0.23
22 KFRPWMFMRF 0.23
23 KFRPWMFMMF 0.25
24 KFRMWMFMRF 0.25
25 KFRMWMWMMF 0.25
26 HFRPWMWMRF 0.26
27 KFRPWMPERF 0.27
28 KFRFWMWMRF 0.27
29 HFRMWMWMRF 0.28
30 HFRPWMWMMF 0.28
31 KFRMWMFMMF 0.28
32 HFRPWMFMRF 0.28
33 RFRPWMWMRF 0.3
34 KFRFWMFMRF 0.3
35 HFRMWMFMRF 0.3
36 KFRMWMPERF 0.3
37 KFRPWMPEMF 0.3
38 KFRFWMWMMF 0.3
39 HFRPWMFMMF 0.31
40 HFRMWMWMMF 0.31
41 RFRMWMWMRF 0.32
42 RFRPWMWMMF 0.32
43 KFRMWMPEMF 0.32
44 RFRPWMFMRF 0.32
45 HFRPWMPERF 0.33
46 HFRFWMWMRF 0.33
47 HFRMWMFMMF 0.33
48 KFRFWMFMMF 0.33
49 RFRMWMFMRF 0.34
50 HFRFWMFMRF 0.35
51 RFRMWMWMMF 0.35
52 HFRMWMPERF 0.35
53 RFRPWMFMMF 0.35
54 KFRFWMPERF 0.35
55 HFRPWMPEMF 0.36
56 HFRFWMWMMF 0.36
57 RFRMWMFMMF 0.37
58 RFRPWMPERF 0.37
59 RFRFWMWMRF 0.37
60 KFRFWMPEMF 0.37
61 HFRFWMFMMF 0.38
62 HFRMWMPEMF 0.38
63 RFRMWMPERF 0.39
64 KFWPWMPMRF 0.4
65 RFRFWMWMMF 0.4
66 RFRPWMPEMF 0.4
67 HFRFWMPERF 0.4
68 RFRFWMFMRF 0.4
69 RFRMWMPEMF 0.42
70 RFRFWMFMMF 0.42
71 KFRPWMPMIF 0.42
72 KFWMWMPMRF 0.42
73 KFWPWMPMMF 0.43
74 HFRFWMPEMF 0.43
75 KFRMWMPMIF 0.44
76 RFRFWMPERF 0.44
77 KFWMWMPMMF 0.45
78 HFWPWMPMRF 0.46
79 KFWFWMPMRF 0.47
80 RFRFWMPEMF 0.47
81 HFRPWMPMIF 0.48
82 HFWPWMPMMF 0.48
83 KFRPWMWERF 0.48
84 HFWMWMPMRF 0.48
85 KFRFWMPMIF 0.49
86 KFFPWMPMRF 0.49
87 RFWPWMPMRF 0.5
88 KFRMWMWERF 0.5
89 KFRPWMWEMF 0.5
90 KFWFWMPMMF 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFRPWMPMRF

3.48

-9.45

-5.97
2 HFRMWMPMRF

3.27

-9.06

-5.79
3 KFRFWMPMRF

4.52

-10.27

-5.75
4 KFRMWMPMMF

3.65

-9.15

-5.5
5 HFRMWMPMMF

4.32

-9.72

-5.4
6 HFRMWMWMRF

3.38

-8.72

-5.34
7 RFRFWMPMMF

4.18

-9.43

-5.25
8 RFRPWMPMMF

4.8

-10.02

-5.22
9 KFRMWMPMRF

4.81

-9.85

-5.04
10 KFRPWMFMMF

4.07

-9.01

-4.94
11 KFRMWMWMRF

4.62

-9.49

-4.87
12 KFRMWMFMRF

4.54

-9.4

-4.86
13 KFRMWMWMMF

4.11

-8.71

-4.6
14 KFRPWMWMMF

5.03

-9.61

-4.58
15 HFRPWMPMRF

4.64

-9.05

-4.41
16 HFRPWMWMRF

3.64

-7.89

-4.25
17 RFRMWMPMMF

5.52

-9.74

-4.22
18 HFRFWMPMMF

5.24

-9.44

-4.2
19 HFRPWMPMMF

3.29

-7.42

-4.13
20 KFRPWMFMRF

3.98

-8.08

-4.1
21 KFRPWMWMRF

2.96

-6.94

-3.98
22 KFRPWMPMRF

4.63

-8.61

-3.98
23 KFRPWMPMMF

4.76

-8.31

-3.55
24 KFRFWMPMMF

4.02

-7.47

-3.45
25 KFRFWMWMRF

3.85

-7.26

-3.41
26 KFRPWMPERF

3.01

-6.34

-3.33
27 RFRMWMPMRF

5.46

-8.61

-3.15
28 HFRFWMPMRF

5.37

-8.33

-2.96
29 RFRFWMPMRF

6.09

-8.93

-2.84
30 HFRPWMWMMF

4.85

-7.23

-2.38

 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