Predicted ligand sequences


ADAN-name: 2UZC2.PDB (view again the scoring matrix)

PDB name: [2UZC.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R E S D L
position 1 2 3 4 5
poly-Ala
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 2.154 ΔGbinding -4.760
TOTAL
 -2.606
Backbone Hb -6.200 Cis_bond 0.000
Sidechain Hb -1.720 Torsional clash 0.010
Van der Waals -5.460 Backbone clash 0.840
Electrostatics -1.400 Helix dipole -0.020
Solvation Polar 11.580 Water bridges -0.240
Solvation Hyd -6.700 Disulfide 0.000
VdW clashes 0.130 Electrost. Kon -1.040
Entropy sc 3.310 Part.cov.bonds 0.000
Entropy mc

3.000

 ΔGstability

5.590
       

Predicted ligand sequences for template [2UZC2.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).
 
  2UZC2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDDMM 0.0
2 DDEMM 0.01
3 DEDMM 0.24
4 DEEMM 0.25
5 DGDMM 0.41
6 DADMM 0.42
7 DGEMM 0.42
8 DAEMM 0.43
9 DWDMM 0.48
10 DDFMM 0.49
11 DWEMM 0.49
12 DDDML 0.5
13 DDEML 0.51
14 DDMMM 0.55
15 DDAMM 0.62
16 DEFMM 0.73
17 DEDML 0.74
18 DEEML 0.75
19 DEMMM 0.79
20 EDDMM 0.81
21 EDEMM 0.82
22 DEAMM 0.86
23 DGFMM 0.89
24 DAFMM 0.91
25 DGDML 0.91
26 DADML 0.92
27 DGEML 0.92
28 DAEML 0.93
29 DGMMM 0.96
30 DWFMM 0.96
31 DAMMM 0.97
32 DWDML 0.98
33 DDFML 0.99
34 DWEML 0.99
35 DGAMM 1.02
36 DAAMM 1.03
37 DWMMM 1.03
38 DDMML 1.05
39 EEDMM 1.05
40 EEEMM 1.06
41 DWAMM 1.1
42 DDAML 1.12
43 EGDMM 1.21
44 EGEMM 1.23
45 EADMM 1.23
46 DEFML 1.23
47 EAEMM 1.24
48 DEMML 1.29
49 EWDMM 1.29
50 EWEMM 1.3
51 EDFMM 1.3
52 EDDML 1.31
53 EDEML 1.32
54 EDMMM 1.36
55 DEAML 1.36
56 DGFML 1.4
57 DAFML 1.41
58 EDAMM 1.43
59 DGMML 1.46
60 DAMML 1.47
61 DWFML 1.47
62 DWMML 1.53
63 DGAML 1.53
64 DAAML 1.54
65 EEFMM 1.54
66 EEDML 1.55
67 EEEML 1.56
68 DWAML 1.6
69 EEMMM 1.6
70 EEAMM 1.67
71 EGFMM 1.7
72 EAFMM 1.71
73 EGDML 1.72
74 EGEML 1.73
75 EADML 1.73
76 EAEML 1.74
77 EGMMM 1.77
78 EWFMM 1.77
79 EAMMM 1.78
80 EWDML 1.79
81 EWEML 1.8
82 EDFML 1.8
83 EGAMM 1.83
84 EWMMM 1.84
85 EAAMM 1.84
86 EDMML 1.86
87 EWAMM 1.9
88 EDAML 1.93
89 EEFML 2.04
90 EEMML 2.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EDDMM

2.31

-11.56

-9.25
2 DEDML

2.42

-11.46

-9.04
3 DEEMM

2.35

-11.22

-8.87
4 DGEMM

2.17

-10.91

-8.74
5 EDEMM

2.61

-10.9

-8.29
6 DEEML

2.36

-10.5

-8.14
7 DWEMM

2.25

-10.21

-7.96
8 DDDMM

2.29

-10.08

-7.79
9 DEFMM

2.21

-9.89

-7.68
10 DEDMM

2.27

-9.92

-7.65
11 DDMMM

2.36

-9.93

-7.57
12 DGFMM

2.25

-9.77

-7.52
13 DDDML

2.48

-9.9

-7.42
14 DAFMM

2.19

-9.5

-7.31
15 DGMMM

2.57

-9.8

-7.23
16 DADMM

2.29

-9.44

-7.15
17 DWDMM

2.24

-9.34

-7.1
18 DGDMM

2.5

-9.48

-6.98
19 DWFMM

2.21

-9.11

-6.9
20 DDFMM

2.39

-9.17

-6.78
21 DEAMM

2.21

-8.94

-6.73
22 DAEML

2.56

-9.12

-6.56
23 DADML

2.22

-8.23

-6.01
24 DAEMM

2.27

-8.28

-6.01
25 DDAMM

2.04

-7.43

-5.39
26 DDEMM

2.48

-7.8

-5.32
27 DDEML

2.36

-7.46

-5.1
28 DGEML

1.69

-6.67

-4.98
29 DGDML

2.32

-6.95

-4.63
30 DEMMM

2.4

-5.63

-3.23

 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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