Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-20.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    

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Intraclash 1.464 ΔGbinding -2.705
TOTAL
 -1.241
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.149
Van der Waals -4.842 Backbone clash 0.217
Electrostatics 0.260 Helix dipole 0.000
Solvation Polar 5.079 Water bridges -0.007
Solvation Hyd -6.837 Disulfide 0.000
VdW clashes 1.428 Electrost. Kon 0.271
Entropy sc 0.876 Part.cov.bonds 0.000
Entropy mc

3.468

 ΔGstability

11.617
       

Predicted ligand sequences for model [YSC84_2A08-20.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).
 
  YSC84_2A08-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFMRGFRR 0.0
2 FPYMRGFRR 0.03
3 FPPMRGFRR 0.04
4 RPFMRGFRR 0.14
5 FPFMRGMRR 0.15
6 FPFRRGFRR 0.16
7 RPYMRGFRR 0.17
8 FPYMRGMRR 0.17
9 FPYRRGFRR 0.19
10 RPPMRGFRR 0.19
11 FPPMRGMRR 0.19
12 FPPRRGFRR 0.21
13 YPFMRGFRR 0.22
14 YPYMRGFRR 0.24
15 FKFMRGFRR 0.25
16 FPFMRGRRR 0.25
17 FPFMRRFRR 0.26
18 YPPMRGFRR 0.26
19 FPYMRGRRR 0.27
20 FKYMRGFRR 0.28
21 FPYMRRFRR 0.29
22 RPFMRGMRR 0.29
23 FPPMRGRRR 0.29
24 RPFRRGFRR 0.3
25 FKPMRGFRR 0.3
26 FPPMRRFRR 0.31
27 FPFRRGMRR 0.31
28 RPYMRGMRR 0.32
29 RPYRRGFRR 0.33
30 FPYRRGMRR 0.33
31 RPPMRGMRR 0.34
32 RPPRRGFRR 0.35
33 FPPRRGMRR 0.35
34 FEFMRGFRR 0.35
35 YPFMRGMRR 0.37
36 FEYMRGFRR 0.38
37 YPFRRGFRR 0.38
38 RPFMRGRRR 0.39
39 YPYMRGMRR 0.39
40 RKFMRGFRR 0.39
41 FEPMRGFRR 0.4
42 RPFMRRFRR 0.4
43 FKFMRGMRR 0.4
44 YPPMRGMRR 0.41
45 FPFRRGRRR 0.41
46 FPFMRRMRR 0.41
47 YPYRRGFRR 0.41
48 FKFRRGFRR 0.41
49 RPYMRGRRR 0.42
50 RKYMRGFRR 0.42
51 YPPRRGFRR 0.42
52 FPFRRRFRR 0.42
53 FKYMRGMRR 0.43
54 FPYRRGRRR 0.43
55 RPYMRRFRR 0.43
56 RPPMRGRRR 0.44
57 FPYMRRMRR 0.44
58 RKPMRGFRR 0.44
59 FKPMRGMRR 0.44
60 FKYRRGFRR 0.44
61 RPPMRRFRR 0.45
62 RPFRRGMRR 0.45
63 FPYRRRFRR 0.45
64 FPPRRGRRR 0.45
65 FPPMRRMRR 0.45
66 FKPRRGFRR 0.46
67 YPFMRGRRR 0.47
68 FPPRRRFRR 0.47
69 YKFMRGFRR 0.47
70 YPFMRRFRR 0.48
71 RPYRRGMRR 0.48
72 YPYMRGRRR 0.49
73 REFMRGFRR 0.49
74 FKFMRGRRR 0.5
75 RPPRRGMRR 0.5
76 YKYMRGFRR 0.5
77 FEFMRGMRR 0.5
78 YPYMRRFRR 0.51
79 YPPMRGRRR 0.51
80 FKFMRRFRR 0.51
81 FPFMRRRRR 0.51
82 FEFRRGFRR 0.51
83 REYMRGFRR 0.52
84 YKPMRGFRR 0.52
85 YPPMRRFRR 0.53
86 FKYMRGRRR 0.53
87 FEYMRGMRR 0.53
88 YPFRRGMRR 0.53
89 FEYRRGFRR 0.54
90 REPMRGFRR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPFMRGRRR

2.33

-11.1

-8.77
2 FPFMRGMRR

2.13

-10.61

-8.48
3 FPPMRGMRR

2.6

-11.06

-8.46
4 FPFRRGMRR

1.92

-10.31

-8.39
5 YPFMRGFRR

1.65

-10.02

-8.37
6 FPYMRGMRR

1.85

-10.2

-8.35
7 FPPMRGFRR

1.7

-9.93

-8.23
8 RPFMRGMRR

2.18

-10.4

-8.22
9 FPFMRGFRR

2.81

-10.68

-7.87
10 YPYMRGFRR

1.85

-9.55

-7.7
11 FPPMRRFRR

3.71

-11.4

-7.69
12 RPFMRGFRR

2.34

-9.89

-7.55
13 FPYMRGFRR

2.38

-9.93

-7.55
14 FPPRRGFRR

1.98

-9.52

-7.54
15 FPFMRRFRR

3.65

-11.14

-7.49
16 RPYMRGMRR

2.44

-9.91

-7.47
17 RPYMRGFRR

2.66

-10.13

-7.47
18 FPPMRGRRR

2.33

-9.69

-7.36
19 FKYMRGFRR

2.38

-9.67

-7.29
20 RPFRRGFRR

2.62

-9.89

-7.27
21 FPFRRGFRR

2.73

-9.95

-7.22
22 YPPMRGFRR

2.0

-9.18

-7.18
23 RPYRRGFRR

1.93

-9.0

-7.07
24 RPPMRGFRR

1.8

-8.84

-7.04
25 FPYRRGMRR

2.99

-9.96

-6.97
26 FPYMRGRRR

3.27

-10.22

-6.95
27 FKPMRGFRR

2.55

-9.39

-6.84
28 FPYRRGFRR

2.23

-9.02

-6.79
29 FPYMRRFRR

4.07

-10.11

-6.04
30 FKFMRGFRR

3.06

-8.93

-5.87

 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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