Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-7.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 G 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 1.821 ΔGbinding -1.587
TOTAL
 0.234
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.151
Van der Waals -2.066 Backbone clash 0.106
Electrostatics 0.064 Helix dipole 0.000
Solvation Polar 2.238 Water bridges -0.025
Solvation Hyd -3.000 Disulfide 0.000
VdW clashes 0.463 Electrost. Kon 0.045
Entropy sc 0.337 Part.cov.bonds 0.000
Entropy mc

1.482

 ΔGstability

81.507
       

Predicted ligand sequences for model [FUS1_1PWT-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRPRRPRR 0.0
2 MRRRRPRR 0.02
3 MHPRRPRR 0.04
4 MHRRRPRR 0.06
5 MRPRRPFR 0.1
6 MRKRRPRR 0.12
7 MKPRRPRR 0.12
8 MRRRRPFR 0.13
9 MHPRRPFR 0.15
10 MKRRRPRR 0.15
11 MHKRRPRR 0.16
12 MHRRRPFR 0.17
13 MRPRRRRR 0.17
14 MRRRRRRR 0.19
15 MHPRRRRR 0.21
16 IRPRRPRR 0.22
17 MRKRRPFR 0.22
18 MKPRRPFR 0.23
19 IRRRRPRR 0.24
20 MHRRRRRR 0.24
21 MKKRRPRR 0.24
22 MKRRRPFR 0.25
23 MHKRRPFR 0.26
24 IHPRRPRR 0.26
25 KRPRRPRR 0.27
26 MRPRRKRR 0.27
27 MRPRRRFR 0.28
28 KRRRRPRR 0.29
29 MRRRRKRR 0.29
30 IHRRRPRR 0.29
31 MRKRRRRR 0.29
32 MRRRRRFR 0.3
33 MKPRRRRR 0.3
34 MHPRRKRR 0.31
35 KHPRRPRR 0.31
36 MKRRRRRR 0.32
37 MHPRRRFR 0.32
38 IRPRRPFR 0.33
39 MHKRRRRR 0.33
40 MHRRRKRR 0.33
41 MHRRRRFR 0.34
42 MKKRRPFR 0.34
43 IKPRRPRR 0.34
44 IRKRRPRR 0.34
45 KHRRRPRR 0.34
46 IRRRRPFR 0.35
47 IKRRRPRR 0.37
48 IHPRRPFR 0.37
49 MRPRRKFR 0.37
50 IHKRRPRR 0.38
51 KRPRRPFR 0.38
52 MRKRRKRR 0.38
53 IRPRRRRR 0.39
54 KRKRRPRR 0.39
55 MKPRRKRR 0.39
56 IHRRRPFR 0.39
57 MRKRRRFR 0.39
58 MRRRRKFR 0.4
59 KRRRRPFR 0.4
60 MRPRRPMR 0.4
61 MKPRRRFR 0.4
62 KKPRRPRR 0.4
63 MKKRRRRR 0.41
64 MHPRRKFR 0.41
65 MKRRRKRR 0.41
66 KHPRRPFR 0.42
67 MKRRRRFR 0.42
68 MRPRYPRR 0.42
69 IRRRRRRR 0.42
70 KKRRRPRR 0.42
71 KHKRRPRR 0.43
72 MRRRRPMR 0.43
73 MHKRRKRR 0.43
74 IHPRRRRR 0.44
75 MRRRYPRR 0.44
76 MHRRRKFR 0.44
77 KRPRRRRR 0.44
78 KHRRRPFR 0.44
79 MHKRRRFR 0.44
80 IRKRRPFR 0.44
81 IKPRRPFR 0.45
82 MHPRRPMR 0.45
83 MHPRYPRR 0.46
84 IHRRRRRR 0.46
85 IKKRRPRR 0.46
86 MHRRRPMR 0.47
87 IKRRRPFR 0.47
88 KRRRRRRR 0.47
89 MHRRYPRR 0.48
90 IHKRRPFR 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRRRRPRR

3.05

-9.33

-6.28
2 MHRRRPFR

2.61

-8.53

-5.92
3 MHRRRRRR

3.34

-9.09

-5.75
4 MRPRRPRR

3.11

-8.85

-5.74
5 MKRRRPRR

3.58

-9.24

-5.66
6 MRRRRKRR

3.57

-9.05

-5.48
7 MKPRRPFR

2.18

-7.4

-5.22
8 MRPRRRRR

4.29

-9.47

-5.18
9 MRRRRPFR

2.61

-7.72

-5.11
10 MHPRRPRR

3.41

-8.41

-5.0
11 MRPRRKRR

3.5

-8.46

-4.96
12 MRKRRPFR

3.6

-8.42

-4.82
13 MKPRRPRR

3.53

-8.09

-4.56
14 MRRRRRRR

3.64

-8.18

-4.54
15 MHPRRPFR

3.36

-7.89

-4.53
16 MHPRRRRR

3.64

-8.14

-4.5
17 IHRRRPRR

3.82

-8.28

-4.46
18 KRRRRPRR

3.65

-7.88

-4.23
19 MHKRRPRR

3.96

-8.15

-4.19
20 MKRRRPFR

3.51

-7.69

-4.18
21 MRPRRPFR

3.98

-8.14

-4.16
22 MHRRRPRR

3.66

-7.78

-4.12
23 MKKRRPRR

4.14

-8.25

-4.11
24 MHKRRPFR

3.88

-7.72

-3.84
25 IRRRRPRR

3.67

-7.47

-3.8
26 KRPRRPRR

3.16

-6.65

-3.49
27 IRPRRPRR

3.73

-7.17

-3.44
28 MRKRRPRR

3.85

-7.24

-3.39
29 IHPRRPRR

3.81

-7.09

-3.28
30 MRPRRRFR

3.86

-7.04

-3.18

 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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