Predicted ligand sequences


ADAN-name: 2D072.PDB (view again the scoring matrix)

PDB name: [2D07.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M D V Q E V Q Y T F D
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A
A
 A 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    

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Intraclash 1.371 ΔGbinding -20.833
TOTAL
 -19.462
Backbone Hb -9.737 Cis_bond 0.000
Sidechain Hb -3.313 Torsional clash 0.456
Van der Waals -13.159 Backbone clash 0.452
Electrostatics -2.788 Helix dipole -0.001
Solvation Polar 18.087 Water bridges -0.137
Solvation Hyd -17.152 Disulfide 0.000
VdW clashes 0.230 Electrost. Kon -1.332
Entropy sc 3.251 Part.cov.bonds 0.000
Entropy mc

4.761

 ΔGstability

-0.746
       

Predicted ligand sequences for template [2D072.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).
 
  2D072.PDB  

(data)
# Predicted Sequences Value Calculate
1 EEFMLLMTWRH 0.0
2 EEFILLMTWRH 0.01
3 EEFMELMTWRH 0.06
4 EEFIELMTWRH 0.07
5 NEFILLMTWRH 0.11
6 NEFMLLMTWRH 0.11
7 EEWMLLMTWRH 0.14
8 EEWILLMTWRH 0.15
9 NEFMELMTWRH 0.17
10 NEFIELMTWRH 0.18
11 EEFMLLMTWRR 0.18
12 EEVMLLMTWRH 0.19
13 EEFILLMTWRR 0.19
14 EEWMELMTWRH 0.2
15 EEVILLMTWRH 0.2
16 DEFILLMTWRH 0.2
17 DEFMLLMTWRH 0.2
18 EEWIELMTWRH 0.21
19 EEFFLLMTWRH 0.22
20 EEFIELMTWRR 0.25
21 NEWMLLMTWRH 0.25
22 EEFMLLMTWRK 0.25
23 NEWILLMTWRH 0.25
24 EEFMELMTWRR 0.25
25 EEVIELMTWRH 0.26
26 EEFILLMTWRK 0.26
27 DEFMELMTWRH 0.26
28 EEVMELMTWRH 0.26
29 DEFIELMTWRH 0.27
30 EEFFELMTWRH 0.28
31 NEFMLLMTWRR 0.29
32 NEVMLLMTWRH 0.3
33 NEFILLMTWRR 0.3
34 NEWMELMTWRH 0.31
35 NEVILLMTWRH 0.31
36 EEFMELMTWRK 0.31
37 NEWIELMTWRH 0.32
38 EEFIELMTWRK 0.32
39 EEWMLLMTWRR 0.32
40 NEFFLLMTWRH 0.32
41 EEWILLMTWRR 0.33
42 DEWILLMTWRH 0.34
43 EEFMLFMTWRH 0.34
44 DEWMLLMTWRH 0.34
45 EEWFLLMTWRH 0.35
46 EEFILFMTWRH 0.35
47 NEFMELMTWRR 0.35
48 NEFMLLMTWRK 0.35
49 NEFIELMTWRR 0.36
50 NEFILLMTWRK 0.36
51 NEVMELMTWRH 0.36
52 EEFMLLMTWEH 0.36
53 EEFILLMTWEH 0.37
54 NEVIELMTWRH 0.37
55 EEVILLMTWRR 0.38
56 EEVMLLMTWRR 0.38
57 DEFMLLMTWRR 0.38
58 EEWMELMTWRR 0.39
59 NEFFELMTWRH 0.39
60 DEFILLMTWRR 0.39
61 DEVMLLMTWRH 0.39
62 EEWIELMTWRR 0.39
63 EEWMLLMTWRK 0.39
64 EEWILLMTWRK 0.4
65 EEFFLLMTWRR 0.4
66 DEVILLMTWRH 0.4
67 DEWMELMTWRH 0.4
68 DEFFLLMTWRH 0.41
69 DEWIELMTWRH 0.41
70 EEFMEFMTWRH 0.41
71 EEVFLLMTWRH 0.41
72 EEFIEFMTWRH 0.41
73 EEFMELMTWEH 0.42
74 EEWFELMTWRH 0.42
75 NEFIELMTWRK 0.42
76 NEFMELMTWRK 0.42
77 NEWMLLMTWRR 0.43
78 EEFMLDMTWRH 0.43
79 EEFIELMTWEH 0.43
80 EEFILDMTWRH 0.44
81 EEVMLLMTWRK 0.44
82 NEWILLMTWRR 0.44
83 EEVMELMTWRR 0.44
84 DEFMELMTWRR 0.44
85 EEWMELMTWRK 0.45
86 EEVILLMTWRK 0.45
87 DEVMELMTWRH 0.45
88 NEFMLFMTWRH 0.45
89 EEVIELMTWRR 0.45
90 DEFILLMTWRK 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEFMLLMTWRR

1.13

-25.62

-24.49
2 EEVMELMTWRH

0.94

-25.05

-24.11
3 EEFMELMTWRR

1.2

-25.02

-23.82
4 NEFILLMTWRH

1.12

-24.77

-23.65
5 NEWMLLMTWRH

1.1

-24.74

-23.64
6 EEFIELMTWRR

1.41

-25.02

-23.61
7 EEWMELMTWRH

1.31

-24.81

-23.5
8 NEWILLMTWRH

0.95

-24.44

-23.49
9 EEWILLMTWRH

1.18

-24.46

-23.28
10 EEFIELMTWRH

1.02

-24.25

-23.23
11 EEWIELMTWRH

1.54

-24.71

-23.17
12 DEFMELMTWRH

1.43

-24.45

-23.02
13 EEFMELMTWRH

1.14

-24.09

-22.95
14 EEVIELMTWRH

1.14

-23.95

-22.81
15 EEFILLMTWRK

1.12

-23.89

-22.77
16 EEVILLMTWRH

1.06

-23.82

-22.76
17 DEFIELMTWRH

1.42

-24.01

-22.59
18 EEFILLMTWRH

0.88

-23.27

-22.39
19 NEFMLLMTWRH

1.38

-23.64

-22.26
20 EEVMLLMTWRH

1.05

-23.27

-22.22
21 EEFMLLMTWRK

1.18

-23.39

-22.21
22 EEFILLMTWRR

1.14

-23.34

-22.2
23 EEFMLLMTWRH

1.01

-23.16

-22.15
24 DEFILLMTWRH

1.08

-23.2

-22.12
25 DEFMLLMTWRH

1.14

-22.98

-21.84
26 EEFFLLMTWRH

1.19

-22.8

-21.61
27 NEFIELMTWRH

1.16

-22.47

-21.31
28 NEFMELMTWRH

1.32

-22.58

-21.26
29 EEFFELMTWRH

1.26

-22.5

-21.24
30 EEWMLLMTWRH

1.32

-21.66

-20.34

 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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