Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-23.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 3.086 ΔGbinding -0.535
TOTAL
 2.551
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.201
Van der Waals -1.562 Backbone clash 0.040
Electrostatics -0.077 Helix dipole 0.000
Solvation Polar 1.849 Water bridges 0.000
Solvation Hyd -2.307 Disulfide 0.000
VdW clashes 0.925 Electrost. Kon -0.071
Entropy sc 0.433 Part.cov.bonds 0.000
Entropy mc

1.349

 ΔGstability

91.098
       

Predicted ligand sequences for model [FUS1_1PWT-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRYWR 0.0
2 RRRRYWR 0.15
3 RPRRYYR 0.17
4 RKRRYWR 0.18
5 RPRRYRR 0.19
6 RPRRYKR 0.22
7 RRRRYYR 0.33
8 MPRRYWR 0.33
9 RHRRYWR 0.34
10 RRRRYRR 0.34
11 RKRRYYR 0.36
12 RKRRYRR 0.37
13 RRRRYKR 0.38
14 RKRRYKR 0.41
15 RMRRYWR 0.42
16 MRRRYWR 0.48
17 MPRRYYR 0.5
18 MKRRYWR 0.51
19 MPRRYRR 0.52
20 RHRRYYR 0.52
21 RHRRYRR 0.53
22 RPLRYWR 0.53
23 MPRRYKR 0.55
24 RHRRYKR 0.57
25 RMRRYYR 0.59
26 RMRRYRR 0.61
27 RPRRPWR 0.61
28 RMRRYKR 0.64
29 MRRRYYR 0.65
30 MRRRYRR 0.67
31 MHRRYWR 0.67
32 RRLRYWR 0.68
33 MKRRYYR 0.68
34 MRRRYKR 0.7
35 RPLRYYR 0.7
36 MKRRYRR 0.7
37 RKLRYWR 0.71
38 RPLRYRR 0.72
39 MKRRYKR 0.73
40 MMRRYWR 0.74
41 RPLRYKR 0.75
42 RRRRPWR 0.76
43 RPRRPYR 0.78
44 RKRRPWR 0.79
45 RPRRPRR 0.8
46 RPRRPKR 0.83
47 MHRRYYR 0.84
48 MPLRYWR 0.85
49 RRLRYYR 0.85
50 MHRRYRR 0.86
51 RHLRYWR 0.87
52 RRLRYRR 0.87
53 RKLRYYR 0.88
54 MHRRYKR 0.89
55 RRLRYKR 0.9
56 RKLRYRR 0.9
57 MMRRYYR 0.92
58 RRRRPYR 0.93
59 MPRRPWR 0.93
60 RKLRYKR 0.93
61 RMLRYWR 0.94
62 MMRRYRR 0.94
63 RRRRPRR 0.95
64 RHRRPWR 0.95
65 RKRRPYR 0.96
66 MMRRYKR 0.97
67 RKRRPRR 0.98
68 RRRRPKR 0.98
69 MRLRYWR 1.0
70 RKRRPKR 1.01
71 RMRRPWR 1.02
72 MPLRYYR 1.03
73 RHLRYYR 1.04
74 MPLRYRR 1.04
75 MKLRYWR 1.04
76 RHLRYRR 1.06
77 MPLRYKR 1.08
78 MRRRPWR 1.09
79 RHLRYKR 1.09
80 MPRRPYR 1.11
81 MKRRPWR 1.12
82 MPRRPRR 1.12
83 RHRRPYR 1.12
84 RMLRYYR 1.12
85 RPLRPWR 1.13
86 RMLRYRR 1.13
87 RHRRPRR 1.14
88 MPRRPKR 1.16
89 RHRRPKR 1.17
90 RMLRYKR 1.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRRYYR

3.52

-10.59

-7.07
2 RRRRYKR

4.12

-10.61

-6.49
3 MKRRYWR

3.62

-8.72

-5.1
4 RHRRYYR

3.9

-8.55

-4.65
5 RKRRYYR

3.84

-8.35

-4.51
6 MPRRYWR

3.68

-7.84

-4.16
7 RRRRYWR

3.37

-7.49

-4.12
8 RMRRYKR

3.43

-7.18

-3.75
9 RHRRYWR

3.59

-7.32

-3.73
10 MPRRYRR

3.54

-7.25

-3.71
11 MPRRYKR

3.3

-6.84

-3.54
12 RRRRYRR

4.11

-7.45

-3.34
13 RHRRYKR

3.38

-6.29

-2.91
14 RMRRYRR

4.07

-6.94

-2.87
15 RKRRYRR

4.45

-6.94

-2.49
16 RKRRYKR

3.97

-6.4

-2.43
17 RHRRYRR

4.33

-6.73

-2.4
18 RPRRYYR

3.07

-5.4

-2.33
19 MPRRYYR

4.0

-6.31

-2.31
20 MRRRYRR

3.65

-5.49

-1.84
21 RPRRYWR

3.45

-5.06

-1.61
22 RKRRYWR

3.48

-5.06

-1.58
23 RPLRYWR

4.05

-5.52

-1.47
24 MRRRYYR

3.68

-5.01

-1.33
25 MRRRYWR

2.96

-4.07

-1.11
26 RMRRYYR

3.64

-4.72

-1.08
27 RPRRYKR

4.02

-5.07

-1.05
28 RPRRPWR

3.38

-4.37

-0.99
29 RPRRYRR

3.96

-4.67

-0.71
30 RMRRYWR

3.25

-3.47

-0.22

 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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