Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1SHF-6.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 2.597 ΔGbinding -1.055
TOTAL
 1.542
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.733
Van der Waals -2.450 Backbone clash 0.002
Electrostatics 0.000 Helix dipole 0.000
Solvation Polar 2.922 Water bridges 0.009
Solvation Hyd -3.536 Disulfide 0.000
VdW clashes 0.225 Electrost. Kon -0.072
Entropy sc 0.841 Part.cov.bonds 0.000
Entropy mc

1.549

 ΔGstability

113.459
       

Predicted ligand sequences for model [FUS1_1SHF-6.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_1SHF-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRIKRMRPK 0.0
2 HRRIKKMRPK 0.03
3 HRRIKRMHPK 0.05
4 HRRIKRMPPK 0.05
5 HRRIHRMRPK 0.05
6 HRRIKKMPPK 0.08
7 HRRIKKMHPK 0.08
8 HRRIHKMRPK 0.08
9 HRRIPRMRPK 0.09
10 HKRIKRMRPK 0.09
11 HRRIHRMHPK 0.1
12 HRRIHRMPPK 0.1
13 HRRIPKMRPK 0.12
14 HKRIKKMRPK 0.12
15 HRRIHKMPPK 0.13
16 HRRIHKMHPK 0.13
17 HKRIKRMHPK 0.14
18 HKRIKRMPPK 0.14
19 HRRIPRMHPK 0.14
20 HKRIHRMRPK 0.14
21 HRRIPRMPPK 0.14
22 HRHIKRMRPK 0.16
23 HRRIPKMHPK 0.17
24 HRRRKRMRPK 0.17
25 HKRIKKMPPK 0.17
26 HRIIKRMRPK 0.17
27 HKRIKKMHPK 0.17
28 HKRIHKMRPK 0.17
29 HRRIPKMPPK 0.17
30 HKRIPRMRPK 0.18
31 HKRIHRMPPK 0.19
32 HRHIKKMRPK 0.19
33 HKRIHRMHPK 0.19
34 HRHIKRMPPK 0.2
35 HRHIKRMHPK 0.2
36 HRRRKKMRPK 0.2
37 HRIIKKMRPK 0.2
38 HRIIKRMHPK 0.21
39 HKRIPKMRPK 0.21
40 HRHIHRMRPK 0.21
41 HKRIHKMPPK 0.22
42 HRRRKRMHPK 0.22
43 HRIIHRMRPK 0.22
44 HRIIKRMPPK 0.22
45 HKRIHKMHPK 0.22
46 HRRRKRMPPK 0.22
47 HRHIKKMHPK 0.23
48 HRRRHRMRPK 0.23
49 HKRIPRMPPK 0.23
50 HRRMKRMRPK 0.23
51 HKRIPRMHPK 0.23
52 HRHIHKMRPK 0.24
53 HRHIKKMPPK 0.24
54 FRRIKRMRPK 0.24
55 HRIIKKMPPK 0.25
56 HRHIPRMRPK 0.25
57 HRRRKKMHPK 0.25
58 HRRRKKMPPK 0.25
59 HRIIKKMHPK 0.25
60 HRIIHKMRPK 0.25
61 HKHIKRMRPK 0.25
62 HRRRHKMRPK 0.26
63 HRHIHRMHPK 0.26
64 HKIIKRMRPK 0.26
65 HKRIPKMHPK 0.26
66 HRHIHRMPPK 0.26
67 HRIIPRMRPK 0.26
68 HKRIPKMPPK 0.26
69 HKRRKRMRPK 0.26
70 HRRMKKMRPK 0.27
71 HRIIHRMPPK 0.27
72 HRIIHRMHPK 0.27
73 HRRRHRMPPK 0.27
74 HRRRPRMRPK 0.27
75 HRRRHRMHPK 0.27
76 HRRMKRMHPK 0.28
77 HRRMKRMPPK 0.28
78 HRHIPKMRPK 0.28
79 HRRIKWMRPK 0.28
80 HKHIKKMRPK 0.28
81 FRRIKKMRPK 0.28
82 HKIIKKMRPK 0.29
83 HKHIKRMPPK 0.29
84 HRIIPKMRPK 0.29
85 FRRIKRMHPK 0.29
86 HKHIKRMHPK 0.29
87 FRRIKRMPPK 0.29
88 HRRMHRMRPK 0.29
89 HRHIHKMHPK 0.29
90 HRHIHKMPPK 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HKRIPRMRPK

4.1

-8.59

-4.49
2 HRRIPKMHPK

4.05

-8.32

-4.27
3 HRRIPRMRPK

4.14

-8.25

-4.11
4 HKRIKKMRPK

4.42

-8.4

-3.98
5 HRRIPRMHPK

4.27

-8.21

-3.94
6 HRRIKKMHPK

4.57

-8.42

-3.85
7 HRHIKRMRPK

4.89

-8.67

-3.78
8 HRRIHRMRPK

4.66

-8.36

-3.7
9 HRRIPRMPPK

4.17

-7.81

-3.64
10 HKRIKKMHPK

4.65

-8.2

-3.55
11 HRRIPKMRPK

4.78

-8.3

-3.52
12 HRRIPKMPPK

4.19

-7.67

-3.48
13 HKRIKRMHPK

4.69

-8.12

-3.43
14 HKRIHRMRPK

4.5

-7.9

-3.4
15 HKRIKRMRPK

4.71

-8.0

-3.29
16 HRRIKRMPPK

4.5

-7.74

-3.24
17 HRRIKKMRPK

5.16

-8.33

-3.17
18 HRRRKRMRPK

4.62

-7.69

-3.07
19 HKRIKRMPPK

4.48

-7.47

-2.99
20 HRRIKRMHPK

4.93

-7.86

-2.93
21 HRIIKRMRPK

4.79

-7.67

-2.88
22 HRRIHKMHPK

4.82

-7.68

-2.86
23 HRRIKKMPPK

4.64

-7.4

-2.76
24 HRRIHRMHPK

5.14

-7.88

-2.74
25 HKRIKKMPPK

4.44

-7.16

-2.72
26 HKRIHKMRPK

4.66

-7.28

-2.62
27 HRRIHRMPPK

4.58

-7.11

-2.53
28 HRRIKRMRPK

5.03

-7.33

-2.3
29 HRRIHKMPPK

4.95

-7.21

-2.26
30 HRRIHKMRPK

4.84

-6.83

-1.99

 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