Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-7.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    

(Help)

Intraclash 0.402 ΔGbinding -0.915
TOTAL
 -0.513
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.187
Van der Waals -2.825 Backbone clash 0.021
Electrostatics 0.156 Helix dipole 0.000
Solvation Polar 3.604 Water bridges -0.006
Solvation Hyd -3.861 Disulfide 0.000
VdW clashes 0.221 Electrost. Kon 0.132
Entropy sc 0.311 Part.cov.bonds 0.000
Entropy mc

2.441

 ΔGstability

56.840
       

Predicted ligand sequences for model [FUS1_1OV32-7.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_1OV32-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRRRNKRR 0.0
2 MRRRNKRQ 0.02
3 MRRRPKRR 0.05
4 MRRRPKRQ 0.07
5 MRRRYKRR 0.19
6 MRRFNKRR 0.2
7 MRRRYKRQ 0.21
8 MRRFNKRQ 0.22
9 MRRFPKRR 0.25
10 MRRFPKRQ 0.27
11 MRRFYKRR 0.39
12 MRPRNKRR 0.39
13 MRRFYKRQ 0.41
14 MRPRNKRQ 0.41
15 MRRRNKMR 0.43
16 MRPRPKRR 0.44
17 MRPRPKRQ 0.46
18 MRRRNKMQ 0.46
19 MRRRNKKR 0.48
20 MRKRNKRR 0.48
21 WRRRNKRR 0.49
22 MRRRPKMR 0.49
23 MRRRNKKQ 0.5
24 MRKRNKRQ 0.5
25 WRRRNKRQ 0.51
26 MRRRPKMQ 0.51
27 MRKRPKRR 0.53
28 MRRRPKKR 0.53
29 WRRRPKRR 0.54
30 MRKRPKRQ 0.55
31 MRRRPKKQ 0.55
32 WRRRPKRQ 0.56
33 MRPRYKRR 0.58
34 MRPFNKRR 0.59
35 MRPRYKRQ 0.6
36 MRPFNKRQ 0.61
37 MRRFNKMR 0.63
38 MRRRYKMR 0.63
39 MRPFPKRR 0.64
40 MRRFNKMQ 0.65
41 MRRRYKMQ 0.65
42 MRPFPKRQ 0.66
43 MRKRYKRR 0.67
44 MRRRYKKR 0.67
45 MRKFNKRR 0.68
46 MRRFNKKR 0.68
47 WRRRYKRR 0.68
48 WRRFNKRR 0.69
49 MRKRYKRQ 0.69
50 MRRRYKKQ 0.69
51 MRRFPKMR 0.69
52 MRKFNKRQ 0.7
53 MRRFNKKQ 0.7
54 WRRRYKRQ 0.7
55 WRRFNKRQ 0.71
56 MRRFPKMQ 0.71
57 MRRFPKKR 0.73
58 MRKFPKRR 0.73
59 WRRFPKRR 0.74
60 MRRFPKKQ 0.75
61 MRKFPKRQ 0.75
62 WRRFPKRQ 0.76
63 MRPFYKRR 0.78
64 MRPFYKRQ 0.8
65 MRPRNKMR 0.82
66 MRRFYKMR 0.83
67 MRPRNKMQ 0.84
68 MRRFYKMQ 0.85
69 MRPRNKKR 0.87
70 MRKFYKRR 0.87
71 MRRFYKKR 0.87
72 MRPRPKMR 0.88
73 WRRFYKRR 0.88
74 WRPRNKRR 0.88
75 MRPRNKKQ 0.89
76 MRKFYKRQ 0.89
77 MRRFYKKQ 0.89
78 WRPRNKRQ 0.9
79 MRPRPKMQ 0.9
80 WRRFYKRQ 0.9
81 MRKRNKMR 0.91
82 MRPRPKKR 0.92
83 WRRRNKMR 0.92
84 MRKRNKMQ 0.93
85 WRPRPKRR 0.93
86 MRPRPKKQ 0.94
87 WRRRNKMQ 0.94
88 WRPRPKRQ 0.95
89 WRKRNKRR 0.96
90 MRKRNKKR 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRRRPKRR

2.51

-10.64

-8.13
2 MRRFPKRR

1.51

-9.16

-7.65
3 MRRRPKMR

1.93

-8.95

-7.02
4 MRRRPKRR

1.98

-8.95

-6.97
5 MRKRPKRR

2.24

-8.87

-6.63
6 MRRFPKRQ

1.82

-8.21

-6.39
7 MRPRPKRR

1.68

-8.07

-6.39
8 MRRFYKRR

2.22

-8.27

-6.05
9 MRRRNKMR

2.4

-8.28

-5.88
10 MRRRPKRQ

1.7

-7.55

-5.85
11 MRRRPKMQ

1.75

-7.5

-5.75
12 WRRRNKRR

3.21

-8.85

-5.64
13 MRRRPKKR

1.97

-7.48

-5.51
14 MRRFYKRQ

1.63

-7.11

-5.48
15 WRRRNKRQ

2.79

-8.23

-5.44
16 MRRFNKRR

2.09

-7.45

-5.36
17 MRRRNKRR

2.42

-7.71

-5.29
18 MRRRNKMQ

2.31

-7.45

-5.14
19 MRKRPKRQ

1.8

-6.89

-5.09
20 MRRRYKRR

2.15

-7.24

-5.09
21 MRPRPKRQ

1.88

-6.93

-5.05
22 MRPRNKRR

2.35

-7.11

-4.76
23 MRRFNKRQ

2.16

-6.91

-4.75
24 MRKRNKRR

2.59

-7.01

-4.42
25 MRRRNKRQ

2.19

-6.5

-4.31
26 MRRRYKRQ

2.42

-6.57

-4.15
27 MRPRNKRQ

2.72

-6.74

-4.02
28 MRKRNKRQ

2.16

-6.07

-3.91
29 MRRRNKKR

1.8

-5.6

-3.8
30 MRRRNKKQ

1.75

-5.27

-3.52

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER