Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-21.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 G
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 1.085 ΔGbinding -0.358
TOTAL
 0.727
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.089
Van der Waals -1.062 Backbone clash 0.000
Electrostatics 0.008 Helix dipole 0.000
Solvation Polar 0.673 Water bridges -0.019
Solvation Hyd -1.761 Disulfide 0.000
VdW clashes 0.207 Electrost. Kon -0.029
Entropy sc 0.018 Part.cov.bonds 0.000
Entropy mc

1.516

 ΔGstability

32.333
       

Predicted ligand sequences for model [RVS167_FMK-SSH-21.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).
 
  RVS167_FMK-SSH-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRLGHPHMT 0.0
2 RWRMGHPHMT 0.01
3 KWRLGHPHMT 0.02
4 KWRMGHPHMT 0.03
5 RWILGHPHMT 0.04
6 RWRLGRPHMT 0.05
7 HWRLGHPHMT 0.05
8 RWIMGHPHMT 0.05
9 KWILGHPHMT 0.06
10 HWRMGHPHMT 0.06
11 RWRLGIPHMT 0.06
12 RWRMGRPHMT 0.06
13 KWIMGHPHMT 0.07
14 RWFLGHPHMT 0.07
15 KWRLGRPHMT 0.07
16 RWRMGIPHMT 0.07
17 RWRIGHPHMT 0.07
18 KWRLGIPHMT 0.08
19 RWFMGHPHMT 0.08
20 KWRMGRPHMT 0.08
21 KWRMGIPHMT 0.09
22 HWILGHPHMT 0.09
23 KWRIGHPHMT 0.1
24 KWFMGHPHMT 0.1
25 HWRLGRPHMT 0.1
26 RWILGIPHMT 0.1
27 KWFLGHPHMT 0.1
28 RWILGRPHMT 0.1
29 HWIMGHPHMT 0.1
30 HWRLGIPHMT 0.11
31 RWIMGRPHMT 0.11
32 RWIMGIPHMT 0.11
33 HWRMGRPHMT 0.11
34 KWILGRPHMT 0.12
35 KWILGIPHMT 0.12
36 RWIIGHPHMT 0.12
37 HWRIGHPHMT 0.12
38 HWRMGIPHMT 0.12
39 HWFLGHPHMT 0.12
40 KWIMGIPHMT 0.13
41 RWFLGRPHMT 0.13
42 KWIMGRPHMT 0.13
43 RWRIGRPHMT 0.13
44 HWFMGHPHMT 0.13
45 RWFLGIPHMT 0.14
46 RWFMGRPHMT 0.14
47 KWIIGHPHMT 0.14
48 HWILGRPHMT 0.14
49 RWRIGIPHMT 0.14
50 RWFMGIPHMT 0.15
51 KWRIGRPHMT 0.15
52 KWFLGRPHMT 0.15
53 HWIMGRPHMT 0.15
54 RWFIGHPHMT 0.15
55 HWILGIPHMT 0.15
56 HWIMGIPHMT 0.16
57 KWFLGIPHMT 0.16
58 KWRIGIPHMT 0.16
59 KWFMGRPHMT 0.16
60 HWIIGHPHMT 0.16
61 KWFIGHPHMT 0.17
62 KWFMGIPHMT 0.17
63 RWIIGRPHMT 0.17
64 HWFLGRPHMT 0.18
65 RWIIGIPHMT 0.18
66 HWRIGIPHMT 0.18
67 HWRIGRPHMT 0.18
68 HWFLGIPHMT 0.18
69 KWIIGRPHMT 0.19
70 HWFMGRPHMT 0.19
71 HWFMGIPHMT 0.19
72 KWIIGIPHMT 0.2
73 RWFIGRPHMT 0.2
74 RWRLGHPHML 0.2
75 HWFIGHPHMT 0.2
76 RWRMGHPHML 0.21
77 RWFIGIPHMT 0.21
78 KWRLGHPHML 0.22
79 KWFIGRPHMT 0.22
80 HWIIGRPHMT 0.22
81 KWRMGHPHML 0.23
82 KWFIGIPHMT 0.23
83 HWIIGIPHMT 0.23
84 RWILGHPHML 0.24
85 RWRLGRPHML 0.25
86 HWFIGRPHMT 0.25
87 RWIMGHPHML 0.25
88 HWRLGHPHML 0.25
89 HWRMGHPHML 0.26
90 HWFIGIPHMT 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HWIMGHPHMT

4.61

-5.68

-1.07
2 HWRMGHPHMT

4.74

-5.36

-0.62
3 HWRLGRPHMT

4.89

-5.34

-0.45
4 HWRLGHPHMT

4.73

-5.01

-0.28
5 RWRMGRPHMT

5.12

-5.27

-0.15
6 KWRMGRPHMT

5.01

-4.74

0.27
7 KWRMGIPHMT

5.0

-4.71

0.29
8 RWRMGHPHMT

4.79

-4.42

0.37
9 KWRLGHPHMT

5.58

-5.19

0.39
10 RWFMGHPHMT

5.17

-4.78

0.39
11 RWRLGRPHMT

5.72

-5.21

0.51
12 HWILGHPHMT

4.87

-4.36

0.51
13 KWFMGHPHMT

5.51

-4.94

0.57
14 RWRMGIPHMT

5.01

-4.43

0.58
15 RWIMGHPHMT

5.85

-5.2

0.65
16 RWILGRPHMT

4.96

-4.24

0.72
17 KWRLGRPHMT

5.5

-4.72

0.78
18 KWIMGHPHMT

5.26

-4.47

0.79
19 RWRLGHPHMT

5.96

-5.11

0.85
20 KWRMGHPHMT

5.89

-4.97

0.92
21 RWRLGIPHMT

5.3

-4.24

1.06
22 RWILGHPHMT

5.53

-4.43

1.1
23 HWRLGIPHMT

5.71

-4.57

1.14
24 KWFLGHPHMT

5.86

-4.72

1.14
25 RWILGIPHMT

5.2

-4.04

1.16
26 RWFLGHPHMT

5.12

-3.77

1.35
27 KWILGHPHMT

5.15

-3.79

1.36
28 KWRIGHPHMT

6.66

-4.74

1.92
29 KWRLGIPHMT

5.95

-3.8

2.15
30 RWRIGHPHMT

6.34

-3.85

2.49

 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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