Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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    

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Intraclash 0.259 ΔGbinding -1.428
TOTAL
 -1.169
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.755
Van der Waals -3.384 Backbone clash 0.146
Electrostatics 0.246 Helix dipole 0.000
Solvation Polar 3.501 Water bridges -0.047
Solvation Hyd -4.618 Disulfide 0.000
VdW clashes 0.031 Electrost. Kon 0.279
Entropy sc 0.480 Part.cov.bonds 0.000
Entropy mc

2.605

 ΔGstability

10.386
       

Predicted ligand sequences for model [YSC84_2A08-11.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_2A08-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDPKNPR 0.0
2 FEPKNPR 0.13
3 FDPRNPR 0.2
4 FDPKNGR 0.24
5 FDRKNPR 0.25
6 FDPKNRR 0.26
7 FDPINPR 0.27
8 FDFKNPR 0.27
9 FEPRNPR 0.32
10 FERKNPR 0.37
11 FEPKNGR 0.37
12 FEPKNRR 0.39
13 FEPINPR 0.39
14 FEFKNPR 0.4
15 FPPKNPR 0.42
16 FDRRNPR 0.44
17 FDPRNGR 0.44
18 FDPRNRR 0.46
19 FDFRNPR 0.47
20 MDPKNPR 0.49
21 FDRKNGR 0.49
22 FDFKNGR 0.51
23 FDRINPR 0.51
24 FDRKNRR 0.51
25 FDPINGR 0.51
26 FDPINRR 0.53
27 FDFKNRR 0.53
28 FDFINPR 0.54
29 FEPRNGR 0.57
30 FERRNPR 0.57
31 FEFRNPR 0.59
32 FEPRNRR 0.59
33 FERKNGR 0.62
34 FPPRNPR 0.62
35 MEPKNPR 0.62
36 FERINPR 0.64
37 FERKNRR 0.64
38 FEFKNGR 0.64
39 FEPINGR 0.64
40 FEFINPR 0.66
41 FEPINRR 0.66
42 FEFKNRR 0.66
43 FPRKNPR 0.67
44 FPPKNGR 0.67
45 FDRRNGR 0.69
46 FPPKNRR 0.69
47 MDPRNPR 0.69
48 FPFKNPR 0.69
49 FPPINPR 0.69
50 FDRRNRR 0.71
51 FDFRNGR 0.71
52 FDFRNRR 0.73
53 MDPKNGR 0.74
54 MDRKNPR 0.74
55 FDRINGR 0.76
56 MDPINPR 0.76
57 MDPKNRR 0.76
58 MDFKNPR 0.77
59 FDFINGR 0.78
60 FDRINRR 0.78
61 FDFINRR 0.8
62 FERRNGR 0.81
63 MEPRNPR 0.82
64 FERRNRR 0.83
65 FEFRNGR 0.84
66 FPPRNGR 0.86
67 FEFRNRR 0.86
68 MEPKNGR 0.87
69 MERKNPR 0.87
70 FPRRNPR 0.87
71 FPPRNRR 0.88
72 FERINGR 0.88
73 MEFKNPR 0.89
74 FPFRNPR 0.89
75 MEPKNRR 0.89
76 MEPINPR 0.89
77 FERINRR 0.9
78 FPRKNGR 0.91
79 FEFINGR 0.91
80 MPPKNPR 0.92
81 FPPINGR 0.93
82 FPRKNRR 0.93
83 FEFINRR 0.93
84 FPFKNGR 0.94
85 MDRRNPR 0.94
86 FPRINPR 0.94
87 MDPRNGR 0.94
88 FPPINRR 0.95
89 MDPRNRR 0.95
90 FPFINPR 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEPKNGR

2.35

-8.85

-6.5
2 FERKNPR

2.4

-8.85

-6.45
3 FEPRNPR

2.32

-8.7

-6.38
4 FPPKNPR

2.52

-8.83

-6.31
5 FEPKNPR

2.3

-8.36

-6.06
6 FDRKNRR

2.62

-8.6

-5.98
7 FDFKNRR

2.37

-8.29

-5.92
8 FEPKNRR

2.7

-8.59

-5.89
9 FDFKNPR

2.25

-8.09

-5.84
10 FDPRNGR

2.54

-8.29

-5.75
11 MDPKNPR

2.13

-7.84

-5.71
12 FDFINPR

2.36

-8.01

-5.65
13 FDPKNGR

2.06

-7.71

-5.65
14 FDPRNPR

2.2

-7.8

-5.6
15 FEPINPR

2.34

-7.93

-5.59
16 FDFKNGR

2.28

-7.78

-5.5
17 FEFKNPR

2.13

-7.63

-5.5
18 FEPRNGR

2.61

-8.0

-5.39
19 FDRRNPR

2.36

-7.75

-5.39
20 FDPRNRR

2.37

-7.69

-5.32
21 FDRKNPR

2.18

-7.38

-5.2
22 FDPKNRR

2.39

-7.57

-5.18
23 FDRKNGR

2.55

-7.71

-5.16
24 FDPKNPR

2.43

-7.52

-5.09
25 FERRNPR

2.22

-7.27

-5.05
26 FDPINGR

2.56

-7.19

-4.63
27 FDRINPR

2.73

-7.24

-4.51
28 FDFRNPR

2.26

-6.67

-4.41
29 FDPINRR

2.56

-6.63

-4.07
30 FDPINPR

2.36

-5.99

-3.63

 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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