Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-9.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala A
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 2.450 ΔGbinding -4.391
TOTAL
 -1.941
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.557
Van der Waals -3.921 Backbone clash -0.000
Electrostatics -0.023 Helix dipole 0.000
Solvation Polar 4.054 Water bridges 0.041
Solvation Hyd -5.253 Disulfide 0.000
VdW clashes 0.008 Electrost. Kon -0.059
Entropy sc 1.035 Part.cov.bonds 0.000
Entropy mc

1.719

 ΔGstability

33.854
       

Predicted ligand sequences for model [CYK3_1QCF-9.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).
 
  CYK3_1QCF-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPWWPPRE 0.0
2 RPWWPPRE 0.03
3 FPPWPPRE 0.06
4 FPWIPPRE 0.08
5 RPPWPPRE 0.09
6 FDWWPPRE 0.1
7 RPWIPPRE 0.1
8 FPYWPPRE 0.12
9 RDWWPPRE 0.13
10 FPPIPPRE 0.14
11 RPYWPPRE 0.15
12 FPWWPLRE 0.16
13 FDPWPPRE 0.17
14 RPPIPPRE 0.17
15 FDWIPPRE 0.18
16 RPWWPLRE 0.19
17 RDPWPPRE 0.2
18 FPYIPPRE 0.2
19 RDWIPPRE 0.21
20 FPPWPLRE 0.22
21 RPYIPPRE 0.22
22 FDYWPPRE 0.22
23 FPWWPPWE 0.23
24 FPWIPLRE 0.24
25 FDPIPPRE 0.24
26 RPPWPLRE 0.25
27 RDYWPPRE 0.25
28 RPWWPPWE 0.26
29 FPWWPERE 0.27
30 RPWIPLRE 0.27
31 RDPIPPRE 0.27
32 FDWWPLRE 0.27
33 FPYWPLRE 0.28
34 FPPWPPWE 0.29
35 RDWWPLRE 0.29
36 RPWWPERE 0.3
37 FPPIPLRE 0.3
38 FDYIPPRE 0.3
39 RPYWPLRE 0.31
40 FPWIPPWE 0.31
41 RPPWPPWE 0.32
42 RPPIPLRE 0.33
43 FPPWPERE 0.33
44 FDPWPLRE 0.33
45 RDYIPPRE 0.33
46 FDWWPPWE 0.34
47 RPWIPPWE 0.34
48 FDWIPLRE 0.34
49 FPWIPERE 0.35
50 FPYIPLRE 0.35
51 FPYWPPWE 0.35
52 RDPWPLRE 0.36
53 RPPWPERE 0.36
54 RDWWPPWE 0.36
55 FPPIPPWE 0.37
56 RPWIPERE 0.37
57 FDWWPERE 0.37
58 FPWFPPRE 0.37
59 RDWIPLRE 0.37
60 RPYWPPWE 0.38
61 FDYWPLRE 0.38
62 RPYIPLRE 0.38
63 FPYWPERE 0.39
64 FPWWPLWE 0.39
65 RPPIPPWE 0.4
66 FDPWPPWE 0.4
67 RDWWPERE 0.4
68 RPWFPPRE 0.4
69 FDPIPLRE 0.4
70 FPPIPERE 0.41
71 FDWIPPWE 0.41
72 RDYWPLRE 0.41
73 RPWWPLWE 0.42
74 RPYWPERE 0.42
75 FPPFPPRE 0.43
76 RDPWPPWE 0.43
77 FPYIPPWE 0.43
78 RDPIPLRE 0.43
79 RDWIPPWE 0.44
80 FDPWPERE 0.44
81 RPPIPERE 0.44
82 FDWIPERE 0.45
83 FPPWPLWE 0.45
84 RPYIPPWE 0.45
85 FDYWPPWE 0.45
86 LPWWPPRE 0.45
87 RPPFPPRE 0.46
88 FPYIPERE 0.46
89 FDYIPLRE 0.46
90 RDPWPERE 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPWWPPWE

4.28

-11.89

-7.61
2 FDWIPPRE

2.11

-9.71

-7.6
3 FDYWPPRE

2.25

-9.74

-7.49
4 RDWIPPRE

3.87

-10.8

-6.93
5 FDWWPPRE

3.15

-9.95

-6.8
6 RPWIPLRE

2.58

-9.33

-6.75
7 RPWWPPWE

5.19

-11.9

-6.71
8 FDPWPPRE

2.9

-9.49

-6.59
9 RDYWPPRE

2.99

-9.38

-6.39
10 RPPWPPRE

3.4

-9.66

-6.26
11 RPYWPPRE

3.42

-9.27

-5.85
12 FPWWPLRE

3.58

-9.19

-5.61
13 RPYIPPRE

4.04

-9.5

-5.46
14 RDWWPPRE

3.58

-8.97

-5.39
15 FPWWPERE

3.96

-9.3

-5.34
16 RDPWPPRE

3.97

-9.3

-5.33
17 RPPWPLRE

3.77

-9.09

-5.32
18 FPYWPPRE

4.65

-9.89

-5.24
19 FDPIPPRE

4.67

-9.54

-4.87
20 FPWIPLRE

3.31

-8.07

-4.76
21 RPWWPPRE

3.93

-8.63

-4.7
22 RPPIPPRE

5.26

-9.89

-4.63
23 FPWWPPRE

1.74

-6.28

-4.54
24 RPWWPLRE

5.02

-9.52

-4.5
25 FPYIPPRE

2.81

-6.67

-3.86
26 RPWIPPRE

5.07

-8.68

-3.61
27 FPPWPLRE

3.96

-7.2

-3.24
28 FPPIPPRE

4.67

-7.19

-2.52
29 FPPWPPRE

3.44

-5.86

-2.42
30 FPWIPPRE

4.54

-5.83

-1.29

 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