Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-10.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala 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    

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Intraclash 5.256 ΔGbinding -0.657
TOTAL
 4.599
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.389
Van der Waals -2.260 Backbone clash 0.027
Electrostatics -0.030 Helix dipole 0.000
Solvation Polar 2.210 Water bridges -0.003
Solvation Hyd -3.409 Disulfide 0.000
VdW clashes 0.015 Electrost. Kon -0.136
Entropy sc 0.120 Part.cov.bonds 0.000
Entropy mc

2.448

 ΔGstability

81.706
       

Predicted ligand sequences for model [FUS1_1FYN-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHKWHRKP 0.0
2 FHRWHRKP 0.0
3 HHRWHRKP 0.02
4 HHKWHRKP 0.03
5 FHRWHPKP 0.03
6 FHKWHPKP 0.04
7 HHKWHPKP 0.06
8 HHRWHPKP 0.06
9 FHKWHFKP 0.09
10 FHRWHFKP 0.09
11 FHKWHRKR 0.1
12 FHRWHRKR 0.1
13 FHKWHRKK 0.12
14 HHRWHRKR 0.12
15 HHKWHFKP 0.12
16 HHRWHFKP 0.12
17 HHKWHRKR 0.12
18 FHRWHRKK 0.12
19 FHKWHPKR 0.13
20 FHRWHPKR 0.13
21 HHRWHRKK 0.14
22 HHKWHRKK 0.14
23 FHKWHPKK 0.15
24 HHRWHPKR 0.15
25 FHWWHRKP 0.15
26 FHRWHPKK 0.15
27 HHKWHPKR 0.16
28 HHRWHPKK 0.17
29 HHKWHPKK 0.18
30 HHWWHRKP 0.18
31 FHKWHFKR 0.19
32 FHWWHPKP 0.19
33 FHRWHFKR 0.19
34 HHRWHFKR 0.21
35 FHKWHFKK 0.21
36 HHKWHFKR 0.21
37 FHRWHFKK 0.21
38 HHWWHPKP 0.21
39 HHKWHFKK 0.23
40 HHRWHFKK 0.23
41 RHRWHRKP 0.23
42 RHKWHRKP 0.23
43 FHWWHFKP 0.24
44 FHWWHRKR 0.25
45 RHRWHPKP 0.26
46 RHKWHPKP 0.26
47 HHWWHFKP 0.27
48 HHWWHRKR 0.27
49 FHWWHRKK 0.27
50 FHWWHPKR 0.28
51 HHWWHRKK 0.29
52 FHWWHPKK 0.3
53 HHWWHPKR 0.31
54 RHRWHRKR 0.32
55 RHKWHFKP 0.32
56 RHKWHRKR 0.32
57 RHRWHFKP 0.32
58 HHWWHPKK 0.33
59 RHKWHRKK 0.34
60 RHRWHRKK 0.34
61 FHWWHFKR 0.34
62 RHRWHPKR 0.35
63 RHKWHPKR 0.36
64 FHWWHFKK 0.36
65 HHWWHFKR 0.37
66 RHRWHPKK 0.38
67 RHWWHRKP 0.38
68 RHKWHPKK 0.38
69 HHWWHFKK 0.39
70 RHWWHPKP 0.41
71 RHRWHFKR 0.41
72 RHKWHFKR 0.42
73 FNRWHRKP 0.42
74 FNKWHRKP 0.43
75 RHRWHFKK 0.43
76 RHKWHFKK 0.44
77 HNKWHRKP 0.45
78 HNRWHRKP 0.45
79 FNRWHPKP 0.46
80 FNKWHPKP 0.46
81 RHWWHFKP 0.47
82 RHWWHRKR 0.47
83 HNKWHPKP 0.48
84 HNRWHPKP 0.48
85 FTKWHRKP 0.49
86 RHWWHRKK 0.49
87 FTRWHRKP 0.49
88 RHWWHPKR 0.51
89 HTRWHRKP 0.51
90 FNRWHFKP 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHWWHRKP

4.19

-4.73

-0.54
2 FHKWHFKP

5.16

-5.64

-0.48
3 FHKWHRKK

5.29

-5.5

-0.21
4 FHRWHPKP

5.41

-5.58

-0.17
5 FHRWHPKK

5.13

-5.21

-0.08
6 FHKWHPKR

5.71

-5.72

-0.01
7 FHRWHPKR

4.82

-4.74

0.08
8 FHRWHRKK

5.3

-5.19

0.11
9 FHKWHRKP

5.22

-5.1

0.12
10 FHRWHRKR

6.13

-5.64

0.49
11 HHRWHPKP

4.51

-3.86

0.65
12 HHRWHRKK

4.25

-3.53

0.72
13 HHKWHRKR

4.3

-3.39

0.91
14 HHKWHPKP

4.53

-3.6

0.93
15 HHRWHPKK

4.41

-3.46

0.95
16 FHKWHPKP

5.18

-3.99

1.19
17 FHRWHFKP

5.31

-4.11

1.2
18 HHRWHFKP

4.56

-3.35

1.21
19 FHKWHPKK

4.34

-3.01

1.33
20 HHRWHRKR

4.8

-3.45

1.35
21 FHRWHRKP

4.94

-3.55

1.39
22 HHKWHPKK

4.78

-3.08

1.7
23 HHKWHFKP

4.26

-2.51

1.75
24 HHKWHRKP

4.51

-2.72

1.79
25 FHKWHRKR

5.33

-3.38

1.95
26 HHRWHPKR

5.46

-3.24

2.22
27 HHKWHPKR

4.35

-2.07

2.28
28 HHWWHRKP

4.47

-2.01

2.46
29 HHKWHRKK

4.86

-2.35

2.51
30 HHRWHRKP

5.82

-2.15

3.67

 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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