Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-29.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 10
poly-Ala
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 6.868 ΔGbinding -0.045
TOTAL
 6.823
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.315
Van der Waals -3.387 Backbone clash 0.000
Electrostatics -0.054 Helix dipole 0.000
Solvation Polar 3.552 Water bridges -0.009
Solvation Hyd -4.978 Disulfide 0.000
VdW clashes 3.066 Electrost. Kon -0.071
Entropy sc 0.567 Part.cov.bonds 0.000
Entropy mc

2.229

 ΔGstability

99.342
       

Predicted ligand sequences for model [SDC25_1JO8-29.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).
 
  SDC25_1JO8-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 EFPPWHPDME 0.0
2 DFPPWHPDME 0.01
3 DFPPEHPDME 0.02
4 EFPPEHPDME 0.02
5 EFPEWHPDME 0.02
6 DFPEWHPDME 0.03
7 DMPPWHPDME 0.03
8 EMPPWHPDME 0.03
9 DFPEEHPDME 0.04
10 EFPEEHPDME 0.04
11 EMPPEHPDME 0.05
12 RFPPWHPDME 0.05
13 DMPPEHPDME 0.05
14 EMPEWHPDME 0.05
15 RFPPEHPDME 0.06
16 DMPEWHPDME 0.06
17 RFPEWHPDME 0.07
18 EFPPWHPDMD 0.07
19 DMPEEHPDME 0.07
20 EMPEEHPDME 0.07
21 RMPPWHPDME 0.07
22 EFPPWHPDMH 0.08
23 DFPPWHPDMH 0.08
24 DFPPWHPDMD 0.08
25 DFPPEHPDMD 0.09
26 RFPEEHPDME 0.09
27 EFPPEHPDMD 0.09
28 EFPEWHPDMD 0.09
29 RMPPEHPDME 0.09
30 RMPEWHPDME 0.1
31 DFPPEHPDMH 0.1
32 DFPEWHPDMD 0.1
33 EFPPEHPDMH 0.1
34 EFPEWHPDMH 0.1
35 DMPPWHPDMD 0.1
36 EMPPWHPDMD 0.1
37 DFPEEHPDMD 0.11
38 DFPEWHPDMH 0.11
39 EFPEEHPDMD 0.11
40 DMPPWHPDMH 0.11
41 EMPPWHPDMH 0.11
42 RMPEEHPDME 0.11
43 DFPEEHPDMH 0.12
44 EMPPEHPDMD 0.12
45 EFPEEHPDMH 0.12
46 RFPPWHPDMD 0.12
47 RFPPWHPDMH 0.12
48 DMPPEHPDMD 0.12
49 EMPEWHPDMD 0.12
50 EMPPEHPDMH 0.13
51 DMPPEHPDMH 0.13
52 DMPEWHPDMD 0.13
53 DMPEWHPDMH 0.13
54 EMPEWHPDMH 0.13
55 RFPPEHPDMH 0.14
56 RFPPEHPDMD 0.14
57 RFPEWHPDMD 0.14
58 DMPEEHPDMD 0.14
59 EMPEEHPDMD 0.14
60 RFPEWHPDMH 0.15
61 DMPEEHPDMH 0.15
62 EMPEEHPDMH 0.15
63 RMPPWHPDMD 0.15
64 RMPPWHPDMH 0.15
65 RMPPEHPDMD 0.16
66 RFPEEHPDMH 0.16
67 RFPEEHPDMD 0.16
68 EFPPWHFDME 0.17
69 EFPDWHPDME 0.17
70 RMPEWHPDMH 0.17
71 RMPEWHPDMD 0.17
72 RMPPEHPDMH 0.17
73 DFPPWHFDME 0.17
74 DLPPWHPDME 0.18
75 EFPPWHWDME 0.18
76 ELPPWHPDME 0.18
77 DFPPWHWDME 0.18
78 DFPDWHPDME 0.18
79 RMPEEHPDMD 0.18
80 EFPEWHFDME 0.19
81 ELPPEHPDME 0.19
82 DFPPEHFDME 0.19
83 EFPPEHWDME 0.19
84 EFPDEHPDME 0.19
85 DFPEWHFDME 0.19
86 EFPPEHFDME 0.19
87 RMPEEHPDMH 0.19
88 EMPPWHFDME 0.2
89 EMPDWHPDME 0.2
90 DMPPWHFDME 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DMPPEHPDME

3.59

-11.35

-7.76
2 EMPEEHPDME

3.75

-10.67

-6.92
3 EMPPEHPDME

3.88

-10.09

-6.21
4 EFPPEHPDME

3.89

-9.96

-6.07
5 DMPPWHPDME

3.62

-9.68

-6.06
6 DMPEEHPDME

3.84

-9.81

-5.97
7 RMPEWHPDME

3.73

-9.68

-5.95
8 DMPEWHPDME

3.74

-9.66

-5.92
9 EMPEWHPDME

3.54

-9.33

-5.79
10 EFPPWHPDME

3.97

-9.59

-5.62
11 EMPPWHPDME

3.7

-9.22

-5.52
12 EFPEWHPDMD

4.15

-9.64

-5.49
13 RMPPWHPDME

3.88

-9.34

-5.46
14 EFPPEHPDMD

3.98

-9.32

-5.34
15 EFPPWHPDMD

3.72

-9.05

-5.33
16 RMPPEHPDME

3.9

-9.22

-5.32
17 DFPPEHPDME

3.62

-8.93

-5.31
18 DFPEEHPDME

3.86

-9.14

-5.28
19 EFPEWHPDME

3.99

-9.22

-5.23
20 DFPPWHPDMD

3.8

-8.76

-4.96
21 DFPPEHPDMD

3.64

-8.36

-4.72
22 DFPPWHPDMH

4.02

-8.52

-4.5
23 RFPEEHPDME

4.04

-8.31

-4.27
24 RFPPEHPDME

4.24

-8.49

-4.25
25 EFPEEHPDME

4.0

-8.2

-4.2
26 DFPEWHPDME

4.13

-8.28

-4.15
27 RFPEWHPDME

3.63

-7.67

-4.04
28 DFPPWHPDME

3.87

-7.91

-4.04
29 RFPPWHPDME

3.82

-7.84

-4.02
30 EFPPWHPDMH

3.78

-7.08

-3.3

 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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