Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-18.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
 G
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 6.356 ΔGbinding 1.784
TOTAL
 8.140
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.374
Van der Waals -3.443 Backbone clash 1.105
Electrostatics -0.014 Helix dipole 0.000
Solvation Polar 3.305 Water bridges -0.014
Solvation Hyd -5.214 Disulfide 0.000
VdW clashes 2.693 Electrost. Kon -0.035
Entropy sc 0.302 Part.cov.bonds 0.000
Entropy mc

3.829

 ΔGstability

112.705
       

Predicted ligand sequences for model [SDC25_1JO8-18.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_1JO8-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDPIPSERMW 0.0
2 FDPIPGERMW 0.05
3 FDEIPSERMW 0.08
4 FPPIPSERMW 0.1
5 FDDIPSERMW 0.11
6 FDEIPGERMW 0.13
7 FPPIPGERMW 0.14
8 FDDIPGERMW 0.16
9 FPEIPSERMW 0.17
10 FDPIDSERMW 0.18
11 FPDIPSERMW 0.21
12 WDPIPSERMW 0.22
13 FDPIDGERMW 0.22
14 FPEIPGERMW 0.22
15 FPDIPGERMW 0.26
16 FDEIDSERMW 0.26
17 FPPIDSERMW 0.27
18 WDPIPGERMW 0.27
19 FDDIDSERMW 0.29
20 WDEIPSERMW 0.3
21 FDEIDGERMW 0.3
22 WPPIPSERMW 0.32
23 FPPIDGERMW 0.32
24 WDDIPSERMW 0.34
25 FDDIDGERMW 0.34
26 FPEIDSERMW 0.35
27 WDEIPGERMW 0.35
28 FDPIPSERMY 0.37
29 WPPIPGERMW 0.37
30 FPDIDSERMW 0.38
31 WDDIPGERMW 0.39
32 FDPIKSERMW 0.4
33 WPEIPSERMW 0.4
34 WDPIDSERMW 0.4
35 FPEIDGERMW 0.4
36 FDPIPSERMM 0.41
37 FDPIPGERMY 0.42
38 FPDIDGERMW 0.43
39 WPDIPSERMW 0.43
40 FDPIPRERMW 0.43
41 WPEIPGERMW 0.45
42 WDPIDGERMW 0.45
43 FDPIKGERMW 0.45
44 FDEIPSERMY 0.45
45 RDPIPSERMW 0.45
46 FDPIPGERMM 0.46
47 FPPIPSERMY 0.47
48 WPDIPGERMW 0.48
49 FDEIKSERMW 0.48
50 WDEIDSERMW 0.48
51 FPPIKSERMW 0.49
52 WPPIDSERMW 0.49
53 FDEIPSERMM 0.49
54 FDDIPSERMY 0.49
55 RDPIPGERMW 0.5
56 FPPIPSERMM 0.5
57 FDPMPSERMW 0.5
58 FDEIPGERMY 0.5
59 WDDIDSERMW 0.51
60 FDEIPRERMW 0.51
61 FDDIKSERMW 0.51
62 FPPIPRERMW 0.52
63 FPPIPGERMY 0.52
64 FDDIPSERMM 0.52
65 RDEIPSERMW 0.53
66 FDEIKGERMW 0.53
67 FDEIPGERMM 0.53
68 WDEIDGERMW 0.53
69 FDDIPRERMW 0.54
70 WPPIDGERMW 0.54
71 FPPIKGERMW 0.54
72 FDDIPGERMY 0.54
73 RPPIPSERMW 0.55
74 FDPIDSERMY 0.55
75 FPPIPGERMM 0.55
76 FPEIPSERMY 0.55
77 FDPMPGERMW 0.55
78 WDDIDGERMW 0.56
79 FDDIKGERMW 0.56
80 WPEIDSERMW 0.57
81 FPEIKSERMW 0.57
82 FDEMPSERMW 0.57
83 FDDIPGERMM 0.57
84 RDDIPSERMW 0.57
85 RDEIPGERMW 0.58
86 FDPIDSERMM 0.58
87 FPDIPSERMY 0.58
88 FPEIPSERMM 0.58
89 FPPMPSERMW 0.59
90 WDPIPSERMY 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPPIDSERMW

4.08

-3.05

1.03
2 FPDIDSERMW

4.33

-3.15

1.18
3 FPPIDGERMW

2.46

-1.17

1.29
4 FDDIPGERMW

2.63

-1.16

1.47
5 FPDIPGERMW

3.0

-1.19

1.81
6 FPPIPGERMW

3.55

-1.6

1.95
7 FPEIPGERMW

2.99

-0.74

2.25
8 FDDIDSERMW

4.35

-1.92

2.43
9 FPEIDSERMW

3.75

-1.16

2.59
10 FDEIDGERMW

2.53

0.14

2.67
11 FDEIPGERMW

4.25

-1.46

2.79
12 WDPIPGERMW

3.22

-0.35

2.87
13 WPPIPGERMW

3.78

-0.82

2.96
14 FDPIDGERMW

2.62

0.42

3.04
15 FPEIPSERMW

4.68

-1.61

3.07
16 FDPIPGERMW

2.26

0.96

3.22
17 FPPIPSERMW

4.55

-1.2

3.35
18 FDDIDGERMW

3.07

0.35

3.42
19 WDEIPGERMW

2.74

1.03

3.77
20 WPPIPSERMW

4.34

-0.19

4.15
21 FPDIPSERMW

5.34

-1.16

4.18
22 FDPIPSERMY

4.84

-0.38

4.46
23 FDPIPSERMW

4.5

0.15

4.65
24 FDEIDSERMW

4.11

0.63

4.74
25 FDPIDSERMW

4.07

0.68

4.75
26 FDDIPSERMW

4.47

0.47

4.94
27 FDEIPSERMW

5.5

-0.21

5.29
28 WDDIPSERMW

4.81

0.63

5.44
29 WDPIPSERMW

6.75

-0.89

5.86
30 WDEIPSERMW

5.04

1.11

6.15

 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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