Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1OV32-27.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
 G
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    

(Help)

Intraclash 4.891 ΔGbinding -3.008
TOTAL
 1.883
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.145
Van der Waals -3.194 Backbone clash 0.093
Electrostatics -0.290 Helix dipole 0.000
Solvation Polar 3.994 Water bridges -0.094
Solvation Hyd -4.450 Disulfide 0.000
VdW clashes 0.500 Electrost. Kon -0.267
Entropy sc 0.574 Part.cov.bonds 0.000
Entropy mc

1.848

 ΔGstability

53.977
       

Predicted ligand sequences for model [FUS1_1OV32-27.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_1OV32-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 YDRPMHRRR 0.0
2 YDRPMHRRW 0.17
3 YDPPMHRRR 0.22
4 YDHPMHRRR 0.24
5 RDRPMHRRR 0.25
6 YDRPIHRRR 0.26
7 YDRPMHRRK 0.28
8 YDRPRHRRR 0.29
9 YDRPMHFRR 0.3
10 YGRPMHRRR 0.32
11 YNRPMHRRR 0.37
12 YDPPMHRRW 0.4
13 YDHPMHRRW 0.41
14 RDRPMHRRW 0.42
15 YDRPIHRRW 0.43
16 YDRPRHRRW 0.46
17 RDPPMHRRR 0.47
18 YDPPIHRRR 0.48
19 YDRPMHFRW 0.48
20 RDHPMHRRR 0.48
21 YDHPIHRRR 0.49
22 YGRPMHRRW 0.49
23 YDPPMHRRK 0.5
24 RDRPIHRRR 0.51
25 YDPPRHRRR 0.51
26 YDHPMHRRK 0.52
27 YDHPRHRRR 0.52
28 YDPPMHFRR 0.53
29 RDRPRHRRR 0.53
30 RDRPMHRRK 0.53
31 YDHPMHFRR 0.54
32 YGPPMHRRR 0.54
33 YDRPIHRRK 0.54
34 RDRPMHFRR 0.55
35 YGHPMHRRR 0.55
36 YNRPMHRRW 0.55
37 YDRPIHFRR 0.56
38 YDRPRHRRK 0.56
39 YGRPIHRRR 0.57
40 RGRPMHRRR 0.57
41 YDRPMHFRK 0.58
42 YDRPRHFRR 0.59
43 YNPPMHRRR 0.6
44 YGRPMHRRK 0.6
45 YGRPRHRRR 0.6
46 YNHPMHRRR 0.61
47 RNRPMHRRR 0.62
48 YGRPMHFRR 0.62
49 YNRPIHRRR 0.63
50 YDPPIHRRW 0.65
51 RDPPMHRRW 0.65
52 YNRPMHRRK 0.65
53 YNRPRHRRR 0.66
54 RDHPMHRRW 0.66
55 YDHPIHRRW 0.67
56 RDRPIHRRW 0.68
57 YDPPRHRRW 0.68
58 YNRPMHFRR 0.68
59 YDPPMHFRW 0.7
60 YDHPRHRRW 0.7
61 YDHPMHFRW 0.71
62 RDRPRHRRW 0.71
63 YGPPMHRRW 0.71
64 RDRPMHFRW 0.73
65 YGHPMHRRW 0.73
66 RDPPIHRRR 0.73
67 YDRPIHFRW 0.74
68 RGRPMHRRW 0.74
69 RDHPIHRRR 0.74
70 YGRPIHRRW 0.75
71 RDPPMHRRK 0.75
72 RDHPMHRRK 0.76
73 RDPPRHRRR 0.76
74 YDPPIHRRK 0.76
75 YDRPRHFRW 0.76
76 YDHPIHRRK 0.77
77 YNPPMHRRW 0.77
78 RDHPRHRRR 0.77
79 YNHPMHRRW 0.78
80 RDPPMHFRR 0.78
81 YGRPRHRRW 0.78
82 YDPPIHFRR 0.78
83 RDHPMHFRR 0.79
84 RGPPMHRRR 0.79
85 YDPPRHRRK 0.79
86 RDRPIHRRK 0.79
87 YGPPIHRRR 0.8
88 YNRPIHRRW 0.8
89 YDHPIHFRR 0.8
90 RNRPMHRRW 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YDRPMHFRW

3.92

-12.57

-8.65
2 YGRPMHRRR

2.71

-11.28

-8.57
3 YDPPMHRRW

3.61

-12.18

-8.57
4 YGRPMHRRW

3.03

-11.58

-8.55
5 YDRPMHFRR

3.88

-11.74

-7.86
6 YDRPMHRRW

3.57

-11.35

-7.78
7 YDHPMHRRK

3.19

-10.94

-7.75
8 YDPPMHRRR

3.85

-11.52

-7.67
9 YDPPMHFRR

3.36

-10.99

-7.63
10 YDPPIHRRR

2.49

-10.04

-7.55
11 RDHPMHRRR

5.86

-13.39

-7.53
12 RDRPMHRRK

3.91

-11.38

-7.47
13 YDHPMHRRR

2.93

-10.37

-7.44
14 YDRPMHRRR

3.78

-11.16

-7.38
15 YDHPMHRRW

4.81

-12.02

-7.21
16 YDPPMHRRK

4.09

-11.06

-6.97
17 YDRPIHRRR

3.33

-10.25

-6.92
18 RDRPIHRRR

3.45

-10.0

-6.55
19 RDRPMHRRW

4.22

-10.71

-6.49
20 YDRPMHRRK

4.17

-10.58

-6.41
21 YDRPIHRRW

3.42

-9.81

-6.39
22 RDRPMHRRR

3.8

-10.16

-6.36
23 RDRPRHRRR

3.74

-9.82

-6.08
24 YDHPIHRRR

3.19

-9.14

-5.95
25 RDPPMHRRR

3.9

-9.74

-5.84
26 YNRPMHRRR

5.02

-10.47

-5.45
27 YDHPRHRRR

3.7

-7.75

-4.05
28 YDRPRHRRW

4.09

-7.75

-3.66
29 YDRPRHRRR

3.65

-6.91

-3.26
30 YDPPRHRRR

4.13

-6.72

-2.59

 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