Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-14.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
poly-Ala
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    

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Intraclash 1.928 ΔGbinding -2.153
TOTAL
 -0.225
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.193
Van der Waals -4.043 Backbone clash 0.188
Electrostatics 0.261 Helix dipole 0.000
Solvation Polar 4.421 Water bridges -0.005
Solvation Hyd -6.103 Disulfide 0.000
VdW clashes 0.117 Electrost. Kon 0.249
Entropy sc 0.571 Part.cov.bonds 0.000
Entropy mc

3.462

 ΔGstability

57.184
       

Predicted ligand sequences for model [FUS1_1OV32-14.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_1OV32-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFIIWKNW 0.0
2 RRPIIWKNW 0.01
3 RRYIIWKNW 0.04
4 RRFIIWENW 0.14
5 RRPIVWKNW 0.14
6 RRFIVWKNW 0.14
7 RRPIIWENW 0.15
8 RRFIIWWNW 0.16
9 RRPIIWWNW 0.17
10 RRYIVWKNW 0.18
11 RRPIIWKRW 0.19
12 RRFIIWKRW 0.19
13 RRYIIWENW 0.19
14 RFFIIWKNW 0.19
15 RFPIIWKNW 0.2
16 RRYIIWWNW 0.21
17 RRYIIWKRW 0.23
18 RFYIIWKNW 0.24
19 RRFIIWKKW 0.25
20 RRPIIWKKW 0.26
21 RRFIRWKNW 0.28
22 RRFIVWENW 0.28
23 RRPIIWKNF 0.28
24 RRFIIWKNF 0.28
25 RRPIRWKNW 0.29
26 RRPIVWENW 0.29
27 RRYIIWKKW 0.3
28 RRFIVWWNW 0.3
29 RRPIVWWNW 0.3
30 RRYIVWENW 0.32
31 RRFIVWKRW 0.32
32 RRYIIWKNF 0.32
33 RRYIRWKNW 0.32
34 RFFIVWKNW 0.33
35 RFPIVWKNW 0.33
36 RRPIVWKRW 0.33
37 RRFIIWERW 0.33
38 RRYIVWWNW 0.34
39 RFPIIWENW 0.34
40 RRPIIWERW 0.34
41 RFFIIWENW 0.34
42 RRPIIWWRW 0.35
43 RFFIIWWNW 0.35
44 RRFIIWWRW 0.35
45 RRYIVWKRW 0.36
46 RFPIIWWNW 0.36
47 RIFIIWKNW 0.37
48 RFYIVWKNW 0.37
49 RRYIIWERW 0.38
50 RIPIIWKNW 0.38
51 RFYIIWENW 0.38
52 RFFIIWKRW 0.38
53 RFPIIWKRW 0.39
54 RRFIVWKKW 0.39
55 RRYIIWWRW 0.39
56 RRFIIWEKW 0.4
57 RFYIIWWNW 0.4
58 RRPIVWKKW 0.4
59 RRPIIWEKW 0.41
60 RRFIVWKNF 0.41
61 RRFIIWENF 0.42
62 RRFIIWWKW 0.42
63 RRPIIWWKW 0.42
64 RIYIIWKNW 0.42
65 RRFIRWENW 0.42
66 RRPIVWKNF 0.42
67 RFYIIWKRW 0.42
68 RRYIVWKKW 0.43
69 RRPIIWENF 0.43
70 RRPIRWENW 0.43
71 RRFIIWWNF 0.44
72 RRPIIWWNF 0.44
73 RRYIIWEKW 0.44
74 RRFIRWWNW 0.44
75 RRYIVWKNF 0.45
76 RFFIIWKKW 0.45
77 RRPIRWWNW 0.45
78 RFPIIWKKW 0.45
79 RRYIIWWKW 0.46
80 RRFIIWKRF 0.46
81 RRPFIWKNW 0.46
82 RRPIIWKNR 0.46
83 RRYIIWENF 0.46
84 RRFFIWKNW 0.46
85 RRFIIWKNR 0.46
86 RRYIRWENW 0.47
87 RRPIVWERW 0.47
88 RRPIIWKRF 0.47
89 RRFIVWERW 0.47
90 RFFIVWENW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPIIWKRW

3.15

-8.95

-5.8
2 RRPIIWKNF

2.28

-7.72

-5.44
3 RRPIRWKNW

2.58

-7.97

-5.39
4 RRPIVWWNW

1.79

-7.09

-5.3
5 RRYIIWKKW

2.95

-8.19

-5.24
6 RRFIVWKNW

2.54

-7.71

-5.17
7 RRFIRWKNW

2.46

-7.6

-5.14
8 RRFIIWKNF

2.34

-7.45

-5.11
9 RRPIVWENW

2.49

-7.58

-5.09
10 RRFIIWKNW

2.07

-6.76

-4.69
11 RFFIIWKNW

2.56

-7.24

-4.68
12 RFPIIWKNW

2.13

-6.79

-4.66
13 RRFIIWENW

2.73

-7.32

-4.59
14 RRFIIWKKW

2.89

-7.4

-4.51
15 RRYIIWKRW

2.62

-7.1

-4.48
16 RRYIIWKNW

2.54

-6.99

-4.45
17 RRFIIWWNW

2.73

-7.18

-4.45
18 RRYIVWKNW

2.16

-6.57

-4.41
19 RRPIVWKNW

2.64

-7.04

-4.4
20 RRPIIWKKW

2.32

-6.7

-4.38
21 RRFIIWKRW

2.34

-6.65

-4.31
22 RRYIIWWNW

3.88

-7.98

-4.1
23 RRPIIWKNW

2.63

-6.68

-4.05
24 RFYIIWKNW

2.24

-6.28

-4.04
25 RRYIIWENW

2.72

-6.55

-3.83
26 RRFIVWENW

2.97

-6.78

-3.81
27 RRYIVWENW

2.43

-6.22

-3.79
28 RRPIIWENW

2.32

-5.96

-3.64
29 RRPIIWWNW

2.34

-5.6

-3.26
30 RRFIVWWNW

3.38

-6.08

-2.7

 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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