Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-17.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
G
 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 3.398 ΔGbinding -0.679
TOTAL
 2.719
Backbone Hb -2.162 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.205
Van der Waals -4.514 Backbone clash 0.022
Electrostatics 0.379 Helix dipole 0.000
Solvation Polar 6.010 Water bridges 0.000
Solvation Hyd -6.266 Disulfide 0.000
VdW clashes 2.294 Electrost. Kon 0.285
Entropy sc 2.117 Part.cov.bonds 0.000
Entropy mc

3.136

 ΔGstability

77.464
       

Predicted ligand sequences for model [FUS1_1FYN-17.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_1FYN-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRYKGMRM 0.0
2 RWRYKGMRR 0.07
3 RWRYKGFRM 0.07
4 RWRYKGKRM 0.11
5 RWVYKGMRM 0.13
6 RWIYKGMRM 0.13
7 RWRYKGFRR 0.14
8 RWRYKGKRR 0.18
9 RWVYKGFRM 0.19
10 RWVYKGMRR 0.2
11 RWRFKGMRM 0.2
12 RWIYKGMRR 0.2
13 RWIYKGFRM 0.2
14 RWVYKGKRM 0.24
15 MWRYKGMRM 0.24
16 RWIYKGKRM 0.25
17 RWVYKGFRR 0.26
18 RWRFKGFRM 0.27
19 RWRFKGMRR 0.27
20 RWIYKGFRR 0.27
21 MWRYKGFRM 0.31
22 RWVYKGKRR 0.31
23 MWRYKGMRR 0.31
24 RWIYKGKRR 0.32
25 RWRFKGKRM 0.32
26 RWVFKGMRM 0.33
27 RWRFKGFRR 0.34
28 RWIFKGMRM 0.34
29 MWRYKGKRM 0.35
30 MWVYKGMRM 0.36
31 MWIYKGMRM 0.37
32 MWRYKGFRR 0.38
33 RWRFKGKRR 0.39
34 RWVFKGMRR 0.4
35 RWVFKGFRM 0.4
36 RWIFKGFRM 0.4
37 RWRYKGMWM 0.41
38 RWIFKGMRR 0.41
39 MWRYKGKRR 0.42
40 MWVYKGFRM 0.43
41 RWRWKGMRM 0.43
42 RWVFKGKRM 0.44
43 MWIYKGFRM 0.44
44 MWIYKGMRR 0.44
45 RWRYKGMRH 0.44
46 MWVYKGMRR 0.44
47 MWRFKGMRM 0.44
48 RWIFKGKRM 0.45
49 RRRYKGMRM 0.46
50 RWVFKGFRR 0.47
51 RWIFKGFRR 0.47
52 RWRYKGMFM 0.48
53 RWRYKGMWR 0.48
54 RWRYKGFWM 0.48
55 RKRYKGMRM 0.48
56 MWVYKGKRM 0.48
57 MWIYKGKRM 0.49
58 MWVYKGFRR 0.5
59 RWRWKGFRM 0.5
60 RWRYKGFRH 0.5
61 RWVFKGKRR 0.51
62 MWIYKGFRR 0.51
63 MWRFKGFRM 0.51
64 MWRFKGMRR 0.51
65 RWRWKGMRR 0.51
66 RWRYKGKWM 0.52
67 RWIFKGKRR 0.52
68 RRRYKGMRR 0.53
69 RRRYKGFRM 0.53
70 RWIYKGMWM 0.54
71 RWVYKGMWM 0.54
72 RWRYKGMFR 0.55
73 RWRYKGFWR 0.55
74 RKRYKGMRR 0.55
75 RWRWKGKRM 0.55
76 MWVYKGKRR 0.55
77 RKRYKGFRM 0.55
78 RWRYKGKRH 0.55
79 RWRYKGFFM 0.55
80 RWVYKGMRH 0.56
81 MWRFKGKRM 0.56
82 RWVWKGMRM 0.56
83 MWIYKGKRR 0.56
84 MWIFKGMRM 0.57
85 MWVFKGMRM 0.57
86 RWIYKGMRH 0.57
87 RWRWKGFRR 0.57
88 RWIWKGMRM 0.57
89 RRRYKGKRM 0.58
90 MWRFKGFRR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWRFKGMRR

5.01

-9.71

-4.7
2 RWVYKGKRM

4.44

-8.65

-4.21
3 RWIYKGKRM

5.73

-9.45

-3.72
4 RWVYKGMRR

5.43

-9.11

-3.68
5 RWIYKGMRM

4.06

-7.61

-3.55
6 RWVYKGFRR

5.76

-9.26

-3.5
7 RWVFKGMRM

5.05

-8.52

-3.47
8 RWRYKGKRR

5.73

-9.19

-3.46
9 RWVYKGMRM

5.12

-8.56

-3.44
10 RWIYKGKRR

5.19

-8.59

-3.4
11 RWRYKGMRR

4.0

-7.24

-3.24
12 RWIYKGMRR

5.42

-8.19

-2.77
13 RWIYKGFRR

4.13

-6.76

-2.63
14 RWRFKGFRR

4.14

-6.71

-2.57
15 RWVYKGKRR

5.01

-7.48

-2.47
16 RWRYKGMRM

5.71

-7.88

-2.17
17 RWRYKGKRM

5.99

-7.92

-1.93
18 RWRFKGKRM

5.89

-7.81

-1.92
19 MWRYKGMRM

5.35

-7.1

-1.75
20 RWRYKGFRR

4.57

-6.26

-1.69
21 RWRFKGFRM

4.37

-5.55

-1.18
22 RWRYKGFRM

4.57

-5.72

-1.15
23 RWIYKGFRM

4.19

-5.25

-1.06
24 RWRFKGMRM

4.91

-5.75

-0.84
25 RWVYKGFRM

6.19

-7.02

-0.83
26 RWIFKGMRM

5.2

-6.02

-0.82
27 MWRYKGMRR

5.95

-6.64

-0.69
28 MWVYKGMRM

4.42

-4.82

-0.4
29 MWRYKGKRM

4.42

-4.72

-0.3
30 MWRYKGFRM

4.91

-4.43

0.48

 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