Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-20.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 2.966 ΔGbinding -2.568
TOTAL
 0.398
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.067
Van der Waals -4.381 Backbone clash 0.108
Electrostatics -0.354 Helix dipole 0.000
Solvation Polar 4.999 Water bridges 0.000
Solvation Hyd -6.480 Disulfide 0.000
VdW clashes 1.028 Electrost. Kon -0.334
Entropy sc 0.825 Part.cov.bonds 0.000
Entropy mc

3.336

 ΔGstability

109.177
       

Predicted ligand sequences for model [SDC25_1JO8-20.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).
 
  SDC25_1JO8-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPMDGWMY 0.0
2 FRPMRGWMY 0.05
3 FRPMNGWMY 0.09
4 FRPMDGWMP 0.15
5 FRPMDGWWY 0.18
6 FRMMDGWMY 0.2
7 FRPMRGWMP 0.2
8 FRRMDGWMY 0.21
9 FRPMDGMMY 0.22
10 FRPMRGWWY 0.23
11 FRPMNGWMP 0.24
12 FRRMRGWMY 0.25
13 FRMMRGWMY 0.25
14 FPPMDGWMY 0.26
15 FRPMNGWWY 0.27
16 FRPMRGMMY 0.27
17 RRPMDGWMY 0.29
18 FRMMNGWMY 0.29
19 FRRMNGWMY 0.3
20 FRPMNGMMY 0.31
21 FPPMRGWMY 0.31
22 FDPMDGWMY 0.33
23 RRPMRGWMY 0.34
24 FRPMDGWWP 0.34
25 FRPMDGWKY 0.35
26 FPPMNGWMY 0.35
27 FRMMDGWMP 0.36
28 FRRMDGWMP 0.36
29 FRPMDGMMP 0.38
30 RRPMNGWMY 0.38
31 FRPMRGWWP 0.38
32 FDPMRGWMY 0.38
33 IRPMDGWMY 0.39
34 FRPMRGWKY 0.39
35 FRMMDGWWY 0.39
36 FRRMDGWWY 0.39
37 FRMMRGWMP 0.4
38 FRRMRGWMP 0.41
39 FRPMDGEMY 0.41
40 FRPMDGMWY 0.41
41 FRPMRGMMP 0.42
42 FPPMDGWMP 0.42
43 FDPMNGWMY 0.42
44 FRPMDGWML 0.43
45 FRPMNGWWP 0.43
46 FRMMRGWWY 0.43
47 FRRMDGMMY 0.43
48 FRMMDGMMY 0.43
49 RRPMDGWMP 0.44
50 FRRMRGWWY 0.44
51 FRPMNGWKY 0.44
52 IRPMRGWMY 0.44
53 FPPMDGWWY 0.45
54 FRRMNGWMP 0.45
55 FRPMRGMWY 0.45
56 FRMMNGWMP 0.45
57 FRPMRGEMY 0.45
58 FRPMNGMMP 0.46
59 FPPMRGWMP 0.46
60 FRMMRGMMY 0.47
61 RRPMDGWWY 0.47
62 FPRMDGWMY 0.47
63 FPMMDGWMY 0.47
64 FRRMRGMMY 0.47
65 FRRMNGWWY 0.48
66 IRPMNGWMY 0.48
67 FDPMDGWMP 0.48
68 FRPMRGWML 0.48
69 FRMMNGWWY 0.48
70 RRRMDGWMY 0.49
71 FRPMNGMWY 0.49
72 RRMMDGWMY 0.49
73 FPPMDGMMY 0.49
74 FPPMRGWWY 0.49
75 RRPMRGWMP 0.49
76 FRPMNGEMY 0.5
77 FRPMDGWKP 0.5
78 FPMMRGWMY 0.51
79 FPPMNGWMP 0.51
80 RRPMDGMMY 0.51
81 FDPMDGWWY 0.51
82 FRRMNGMMY 0.52
83 FPRMRGWMY 0.52
84 RRPMRGWWY 0.52
85 FRPMNGWML 0.52
86 FRMMNGMMY 0.52
87 FPPMRGMMY 0.53
88 FDMMDGWMY 0.53
89 RRPMNGWMP 0.53
90 FDPMRGWMP 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPMNGWMY

2.52

-6.06

-3.54
2 FPPMRGWMY

2.64

-5.67

-3.03
3 FPPMDGWMY

2.54

-5.31

-2.77
4 FRPMNGMMY

3.1

-5.65

-2.55
5 FRPMDGMMP

4.18

-6.61

-2.43
6 FRPMRGWMP

3.72

-6.03

-2.31
7 FRMMNGWMY

3.0

-5.29

-2.29
8 FRPMDGMMY

3.11

-5.34

-2.23
9 FRPMRGMMY

2.81

-5.03

-2.22
10 FRRMNGWMY

2.94

-5.05

-2.11
11 FRMMDGWMY

3.21

-5.28

-2.07
12 FRPMRGWMY

2.82

-4.89

-2.07
13 RRPMRGWMY

3.12

-5.13

-2.01
14 FRPMNGWWY

3.22

-5.22

-2.0
15 FRPMNGWMP

5.29

-7.2

-1.91
16 FRMMDGWMP

4.45

-6.23

-1.78
17 FRPMDGWMY

2.85

-4.56

-1.71
18 FRRMRGWMY

3.09

-4.77

-1.68
19 FRPMDGWMP

3.84

-5.47

-1.63
20 FRPMRGWWY

3.61

-5.22

-1.61
21 RRPMDGWMY

2.58

-4.16

-1.58
22 FRPMDGWWY

3.19

-4.68

-1.49
23 FRMMRGWMY

2.47

-3.89

-1.42
24 FRPMDGWKY

3.0

-4.41

-1.41
25 RRPMNGWMY

2.83

-4.2

-1.37
26 FRPMNGWMY

3.64

-4.95

-1.31
27 FRRMDGWMY

2.58

-3.64

-1.06
28 FRPMDGWWP

4.56

-5.42

-0.86
29 FDPMDGWMY

3.66

-4.41

-0.75
30 FRRMDGWMP

5.83

-5.75

0.08

 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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