Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-27.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9
poly-Ala
A
 G 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 5.854 ΔGbinding -2.193
TOTAL
 3.661
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.322
Van der Waals -4.526 Backbone clash 0.158
Electrostatics -0.390 Helix dipole 0.000
Solvation Polar 6.000 Water bridges 0.000
Solvation Hyd -5.586 Disulfide 0.000
VdW clashes 0.723 Electrost. Kon -0.303
Entropy sc 0.703 Part.cov.bonds 0.000
Entropy mc

2.140

 ΔGstability

51.604
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-27.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).
 
  BEM1-D1_JO8-LCK-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRWHDEIPK 0.0
2 MRWHDDIPK 0.01
3 MRWHDEIPR 0.02
4 MRWHDDIPR 0.03
5 MRWHDPIPK 0.03
6 MRWHDEIPP 0.06
7 MRWHDPIPR 0.06
8 MRWHDDIPP 0.07
9 MRWHDPIPP 0.1
10 MRWHHDIPK 0.2
11 MRWHHEIPK 0.2
12 MKWHDEIPK 0.21
13 MKWHDDIPK 0.21
14 MRWKDEIPK 0.21
15 MRWHHEIPR 0.22
16 MRWKDDIPK 0.22
17 MRWHHPIPK 0.23
18 MRWHHDIPR 0.23
19 MKWHDEIPR 0.23
20 MKWHDDIPR 0.23
21 MRWKDEIPR 0.23
22 MKWHDPIPK 0.24
23 MRWKDDIPR 0.24
24 MRWKDPIPK 0.24
25 MRWHSEIPK 0.25
26 MRWHHPIPR 0.26
27 MRWHSDIPK 0.26
28 MKWHDPIPR 0.26
29 MRWHHEIPP 0.26
30 MKWHDEIPP 0.27
31 MRWHHDIPP 0.27
32 MRWKDPIPR 0.27
33 MKWHDDIPP 0.27
34 MRPHDEIPK 0.27
35 MRWKDEIPP 0.27
36 MRPHDDIPK 0.28
37 MRRHDEIPK 0.28
38 MRWHSDIPR 0.28
39 MRRHDDIPK 0.28
40 MRWKDDIPP 0.28
41 MRWHSEIPR 0.28
42 MRWHSPIPK 0.29
43 MRWHHPIPP 0.3
44 MRPHDDIPR 0.3
45 MRRHDEIPR 0.3
46 MKWHDPIPP 0.3
47 MRPHDEIPR 0.3
48 MRWHSPIPR 0.31
49 MRRHDDIPR 0.31
50 MRWKDPIPP 0.31
51 MRPHDPIPK 0.31
52 MRRHDPIPK 0.31
53 MRWHDEIRK 0.32
54 MRWRDDIPK 0.32
55 MRWRDEIPK 0.32
56 MRWHSDIPP 0.32
57 MRWHSEIPP 0.32
58 MRWHDDIRK 0.33
59 MRPHDPIPR 0.33
60 MRRHDPIPR 0.33
61 MRPHDDIPP 0.34
62 MRRHDEIPP 0.34
63 MRWRDEIPR 0.34
64 MRPHDEIPP 0.34
65 MRWHDEIRR 0.35
66 MRWRDDIPR 0.35
67 MRWHDDIRR 0.35
68 MRWHSPIPP 0.35
69 MRWHDPIRK 0.35
70 MRRHDDIPP 0.35
71 MRWRDPIPK 0.35
72 MRPHDPIPP 0.37
73 MRRHDPIPP 0.37
74 MRWRDEIPP 0.38
75 MRWHDPIRR 0.38
76 MRWRDPIPR 0.38
77 MRWHDEIRP 0.39
78 MRWRDDIPP 0.39
79 MRWHDDIRP 0.39
80 MDWHDEIPK 0.4
81 MKWHHEIPK 0.41
82 MRWKHEIPK 0.41
83 MDWHDDIPK 0.41
84 MRWHDDIWK 0.41
85 MRWHDEIWK 0.41
86 MRWRDPIPP 0.41
87 MKWHHDIPK 0.41
88 MKWKDDIPK 0.42
89 MRWHDPIRP 0.42
90 MRWKHDIPK 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRWHDEIPK

6.3

-8.67

-2.37
2 MRWHDEIPR

7.49

-9.77

-2.28
3 MRWHDDIPP

6.81

-9.07

-2.26
4 MRWHDPIPP

6.91

-8.96

-2.05
5 MRWHDDIPR

7.65

-9.7

-2.05
6 MKWHDDIPR

7.16

-9.13

-1.97
7 MRWHDDIPK

6.98

-8.77

-1.79
8 MKWHDEIPK

7.35

-9.0

-1.65
9 MRWHHDIPK

6.8

-8.28

-1.48
10 MRWKDEIPR

6.83

-7.81

-0.98
11 MRWHHPIPK

7.36

-8.06

-0.7
12 MRWHSDIPK

7.29

-7.92

-0.63
13 MKWHDEIPP

8.08

-8.36

-0.28
14 MRWKDEIPK

6.74

-7.01

-0.27
15 MRWHHEIPK

7.66

-7.9

-0.24
16 MRWHHPIPR

7.41

-7.62

-0.21
17 MKWHDDIPK

7.58

-7.72

-0.14
18 MRWHSEIPK

8.5

-8.44

0.06
19 MRWKDDIPR

6.56

-6.28

0.28
20 MRWHDEIPP

9.24

-8.88

0.36
21 MRWHHDIPR

8.09

-7.61

0.48
22 MKWHDEIPR

8.52

-7.96

0.56
23 MKWHDPIPK

8.6

-7.93

0.67
24 MKWHDPIPR

8.64

-7.57

1.07
25 MRWHDPIPK

9.49

-8.23

1.26
26 MRWHHEIPP

8.63

-6.54

2.09
27 MRWHDPIPR

9.9

-7.7

2.2
28 MRWKDDIPK

6.84

-4.48

2.36
29 MRWKDPIPK

10.52

-6.64

3.88
30 MRWHHEIPR

8.44

-3.33

5.11

 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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