Predicted ligand sequences


ADAN-name: 2EGK2.PDB (view again the scoring matrix)

PDB name: [2EGK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E S Q L
position 1 2 3 4
poly-Ala
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 6.159 ΔGbinding -3.140
TOTAL
 3.019
Backbone Hb -5.360 Cis_bond 0.000
Sidechain Hb -2.510 Torsional clash 0.070
Van der Waals -6.270 Backbone clash 1.960
Electrostatics -0.170 Helix dipole 0.000
Solvation Polar 12.590 Water bridges -0.410
Solvation Hyd -7.980 Disulfide 0.000
VdW clashes 1.610 Electrost. Kon -0.270
Entropy sc 3.360 Part.cov.bonds 0.000
Entropy mc

2.200

 ΔGstability

56.010
       

Predicted ligand sequences for template [2EGK2.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).
 
  2EGK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PDMM 0.0
2 PDDM 0.02
3 PNMM 0.32
4 PNDM 0.33
5 PDIM 0.37
6 PDMI 0.46
7 PDDI 0.48
8 PDEM 0.5
9 PTMM 0.5
10 PTDM 0.51
11 PDQM 0.54
12 PFMM 0.56
13 PFDM 0.57
14 PMMM 0.66
15 PMDM 0.68
16 PNIM 0.69
17 PNMI 0.78
18 PNDI 0.79
19 PNEM 0.82
20 PDII 0.83
21 PNQM 0.86
22 PTIM 0.87
23 PFIM 0.93
24 PTMI 0.95
25 PDEI 0.96
26 PTDI 0.97
27 PTEM 0.99
28 PDQI 1.0
29 PFMI 1.02
30 PFDI 1.03
31 PTQM 1.04
32 PMIM 1.04
33 PFEM 1.06
34 GDMM 1.09
35 PFQM 1.1
36 GDDM 1.11
37 PMMI 1.12
38 PMDI 1.14
39 PNII 1.15
40 PMEM 1.16
41 PMQM 1.21
42 PNEI 1.28
43 PNQI 1.32
44 PTII 1.33
45 PFII 1.39
46 GNMM 1.41
47 GNDM 1.43
48 PTEI 1.45
49 GDIM 1.47
50 PTQI 1.5
51 PMII 1.5
52 PFEI 1.51
53 GDMI 1.55
54 PFQI 1.56
55 GDDI 1.57
56 GTMM 1.59
57 GDEM 1.59
58 GTDM 1.61
59 PMEI 1.62
60 GDQM 1.64
61 GFMM 1.65
62 PMQI 1.67
63 GFDM 1.67
64 GMMM 1.76
65 GMDM 1.77
66 GNIM 1.78
67 GNMI 1.87
68 GNDI 1.89
69 GNEM 1.91
70 GDII 1.93
71 GNQM 1.95
72 GTIM 1.96
73 GFIM 2.02
74 GDEI 2.05
75 GTMI 2.05
76 GTDI 2.06
77 GTEM 2.09
78 GDQI 2.1
79 GFMI 2.11
80 GTQM 2.13
81 GMIM 2.13
82 GFDI 2.13
83 GFEM 2.15
84 GFQM 2.19
85 GMMI 2.22
86 GMDI 2.23
87 GNII 2.24
88 GMEM 2.26
89 GMQM 2.3
90 GNEI 2.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PNIM

5.4

-6.69

-1.29
2 PDMM

6.33

-7.58

-1.25
3 PDEM

6.26

-7.27

-1.01
4 PNMM

5.54

-6.52

-0.98
5 PDMI

6.07

-7.02

-0.95
6 PFMM

5.38

-6.21

-0.83
7 PDDM

6.24

-6.96

-0.72
8 PDEI

6.1

-6.81

-0.71
9 PDII

6.03

-6.73

-0.7
10 PTMM

6.22

-6.9

-0.68
11 PNEM

5.45

-5.94

-0.49
12 PDDI

6.16

-6.56

-0.4
13 PFIM

5.52

-5.81

-0.29
14 PTMI

6.14

-6.31

-0.17
15 PTDM

6.26

-6.29

-0.03
16 PTEM

6.29

-6.31

-0.02
17 PMMM

6.33

-6.14

0.19
18 PNDI

6.05

-5.85

0.2
19 PNMI

6.26

-6.05

0.21
20 PDQI

5.99

-5.77

0.22
21 PNDM

6.21

-5.88

0.33
22 PDQM

6.18

-5.8

0.38
23 PTIM

6.25

-5.84

0.41
24 PNQM

6.16

-5.4

0.76
25 PTDI

6.26

-5.49

0.77
26 PMDM

6.26

-5.38

0.88
27 PDIM

6.45

-5.53

0.92
28 PFDI

5.52

-4.51

1.01
29 PFMI

5.41

-4.26

1.15
30 PFDM

5.38

-4.22

1.16

 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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