Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-5.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    

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Intraclash 5.212 ΔGbinding 8.296
TOTAL
 13.508
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 2.275
Van der Waals -5.528 Backbone clash 0.165
Electrostatics -0.140 Helix dipole 0.000
Solvation Polar 5.342 Water bridges 0.000
Solvation Hyd -8.571 Disulfide 0.000
VdW clashes 12.185 Electrost. Kon -0.156
Entropy sc 0.981 Part.cov.bonds 0.000
Entropy mc

3.181

 ΔGstability

102.148
       

Predicted ligand sequences for model [FUS1_1PWT-5.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_1PWT-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGNRRRLPRP 0.0
2 RGNRRRRPRP 0.02
3 RGNMRRLPRP 0.04
4 RGNRRPLPRP 0.05
5 RGNMRRRPRP 0.07
6 RGNRPRLPRP 0.07
7 RGNRRPRPRP 0.07
8 RGNMRPLPRP 0.09
9 RGNRPRRPRP 0.1
10 RGNMRPRPRP 0.11
11 RGNRPPLPRP 0.12
12 RGNMPRLPRP 0.12
13 RGNMPRRPRP 0.14
14 RGFRRRLPRP 0.15
15 RGNRPPRPRP 0.15
16 RGNRRRLHRP 0.15
17 MGNRRRLPRP 0.16
18 RGNMPPLPRP 0.17
19 RGQRRRLPRP 0.18
20 RGFRRRRPRP 0.18
21 RGNRRRRHRP 0.18
22 MGNRRRRPRP 0.18
23 RGNMPPRPRP 0.19
24 RGNRRPLHRP 0.2
25 MGNMRRLPRP 0.2
26 RGQRRRRPRP 0.2
27 RGNMRRLHRP 0.2
28 RGFMRRLPRP 0.2
29 RGFRRPLPRP 0.2
30 MGNRRPLPRP 0.21
31 RGQRRPLPRP 0.22
32 RGQMRRLPRP 0.22
33 RGNMRRRHRP 0.22
34 RGFMRRRPRP 0.22
35 RGNRRPRHRP 0.22
36 RGFRRPRPRP 0.22
37 MGNRRPRPRP 0.23
38 RGNRPRLHRP 0.23
39 MGNRPRLPRP 0.23
40 RGFRPRLPRP 0.23
41 MGNMRRRPRP 0.23
42 RGNRRRLRRP 0.24
43 RGQMRRRPRP 0.24
44 RGNMRPLHRP 0.24
45 RGNRHRLPRP 0.24
46 RGFMRPLPRP 0.24
47 RGNRPRRHRP 0.25
48 RGQRRPRPRP 0.25
49 RGQRPRLPRP 0.25
50 MGNMRPLPRP 0.25
51 RGFRPRRPRP 0.25
52 MGNRPRRPRP 0.26
53 RGNRHRRPRP 0.26
54 RGFRPPLPRP 0.27
55 RMNRRRLPRP 0.27
56 RGNMPRLHRP 0.27
57 RGQMRPLPRP 0.27
58 RGNRRRRRRP 0.27
59 RGNMRPRHRP 0.27
60 RGFMPRLPRP 0.27
61 MGNMRPRPRP 0.27
62 RGFMRPRPRP 0.27
63 RGNRPPLHRP 0.28
64 RGNMRRLRRP 0.28
65 RGQRPRRPRP 0.28
66 RGNMHRLPRP 0.28
67 MGNRPPLPRP 0.28
68 RGNRRREPRP 0.28
69 MGNMPRLPRP 0.28
70 RMNRRRRPRP 0.29
71 RGNRHPLPRP 0.29
72 RGQMPRLPRP 0.29
73 RGNRRPLRRP 0.29
74 RGQMRPRPRP 0.29
75 RGNMPRRHRP 0.3
76 RGFRPPRPRP 0.3
77 RGNRPPRHRP 0.3
78 MGNMPRRPRP 0.3
79 RGFMPRRPRP 0.3
80 RGFRRRLHRP 0.3
81 MGNRPPRPRP 0.3
82 RGQRPPLPRP 0.3
83 MGFRRRLPRP 0.31
84 MGNRRRLHRP 0.31
85 RMNMRRLPRP 0.31
86 RMNRRPLPRP 0.31
87 RGNRRPRRRP 0.31
88 RGNMHRRPRP 0.31
89 RGNMRRRRRP 0.31
90 RGNRHPRPRP 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGNMRPLPRP

2.82

-8.86

-6.04
2 RGNRRPLHRP

2.74

-8.7

-5.96
3 RGFRRPLPRP

3.83

-9.64

-5.81
4 RGNMPPLPRP

3.24

-8.98

-5.74
5 RGNMRPRPRP

3.89

-9.51

-5.62
6 RGNMRRLPRP

3.09

-8.7

-5.61
7 RGQRRRRPRP

5.2

-10.44

-5.24
8 RGNRPPLPRP

4.52

-9.75

-5.23
9 RGNRRPRPRP

4.01

-9.23

-5.22
10 RGNRRPLPRP

3.82

-9.04

-5.22
11 RGFMRRLPRP

3.29

-8.25

-4.96
12 MGNRRPLPRP

3.86

-8.62

-4.76
13 RGNRRRRHRP

4.38

-9.09

-4.71
14 RGNRPRRPRP

4.22

-8.89

-4.67
15 MGNMRRLPRP

3.82

-8.49

-4.67
16 RGNMPPRPRP

3.98

-8.62

-4.64
17 RGNRPRLPRP

3.19

-7.53

-4.34
18 RGFRRRLPRP

4.46

-8.72

-4.26
19 RGQRRRLPRP

4.68

-8.84

-4.16
20 RGNRPPRPRP

3.97

-8.03

-4.06
21 MGNRRRRPRP

4.21

-8.12

-3.91
22 MGNRRRLPRP

2.99

-6.88

-3.89
23 RGNMPRRPRP

3.96

-7.53

-3.57
24 RGNRRRLHRP

3.72

-6.93

-3.21
25 RGNMPRLPRP

3.97

-7.17

-3.2
26 RGFRRRRPRP

4.86

-7.9

-3.04
27 RGNRRRLPRP

3.73

-6.58

-2.85
28 RGNRRRRPRP

5.16

-7.62

-2.46
29 RGNMRRLHRP

3.86

-6.2

-2.34
30 RGNMRRRPRP

5.25

-5.86

-0.61

 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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