Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.389 ΔGbinding -0.553
TOTAL
 -0.164
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.702
Van der Waals -3.996 Backbone clash 0.000
Electrostatics 0.486 Helix dipole 0.000
Solvation Polar 4.637 Water bridges -0.085
Solvation Hyd -5.116 Disulfide 0.000
VdW clashes 0.200 Electrost. Kon 0.538
Entropy sc 0.595 Part.cov.bonds 0.000
Entropy mc

2.763

 ΔGstability

12.090
       

Predicted ligand sequences for model [ABP1_1JO8-8.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).
 
  ABP1_1JO8-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 HWRFRPRR 0.0
2 HWRPRPRR 0.04
3 RWRFRPRR 0.13
4 HWRFRPPR 0.14
5 FWRFRPRR 0.16
6 RWRPRPRR 0.17
7 HWRPRPPR 0.18
8 HWRFRPHR 0.19
9 HWRKRPRR 0.2
10 FWRPRPRR 0.2
11 HWRFRRRR 0.23
12 HWRPRPHR 0.23
13 HWRPRRRR 0.27
14 RWRFRPPR 0.27
15 FWRFRPPR 0.3
16 HWRFRKRR 0.3
17 RWRPRPPR 0.31
18 RWRFRPHR 0.32
19 RWRKRPRR 0.33
20 FWRPRPPR 0.34
21 HWRPRKRR 0.34
22 HWRKRPPR 0.34
23 FWRFRPHR 0.35
24 HWRFRPRF 0.35
25 HWRFRPRK 0.35
26 RWRFRRRR 0.36
27 RWRPRPHR 0.36
28 FWRKRPRR 0.36
29 HWRFRRPR 0.37
30 HWRKRPHR 0.39
31 HWRPRPRF 0.39
32 FWRFRRRR 0.39
33 FWRPRPHR 0.39
34 HWRPRPRK 0.4
35 RWRPRRRR 0.4
36 HWRPRRPR 0.41
37 HWRFRRHR 0.42
38 RWRFRKRR 0.43
39 FWRPRRRR 0.43
40 HWRKRRRR 0.43
41 HWRFRKPR 0.44
42 HWRPRRHR 0.46
43 FWRFRKRR 0.46
44 RWRKRPPR 0.47
45 RWRPRKRR 0.47
46 HWRPRKPR 0.48
47 RWRFRPRF 0.48
48 RWRFRPRK 0.48
49 HWRFRKHR 0.49
50 HWRFRPPF 0.49
51 RWRFRRPR 0.5
52 HWRKRKRR 0.5
53 FWRPRKRR 0.5
54 FWRKRPPR 0.5
55 HWRFRPPK 0.5
56 FWRFRPRK 0.51
57 FWRFRPRF 0.51
58 RWRKRPHR 0.52
59 RWRPRPRK 0.52
60 RWRPRPRF 0.52
61 HWRPRPPF 0.53
62 HWRPRKHR 0.53
63 FWRFRRPR 0.53
64 HWRPRPPK 0.54
65 HWRFRPHF 0.54
66 HWRFRPHK 0.54
67 RWRPRRPR 0.54
68 FWRKRPHR 0.55
69 RWRFRRHR 0.55
70 HWRKRPRF 0.55
71 FWRPRPRK 0.55
72 FWRPRPRF 0.55
73 HWRKRPRK 0.56
74 RWRKRRRR 0.56
75 HWRKRRPR 0.57
76 FWRPRRPR 0.57
77 RWRFRKPR 0.57
78 FWRFRRHR 0.58
79 HWRFRRRF 0.58
80 HWRFRRRK 0.58
81 HWRPRPHF 0.58
82 HWRPRPHK 0.58
83 RWRPRRHR 0.59
84 FWRKRRRR 0.59
85 FWRFRKPR 0.6
86 RWRPRKPR 0.61
87 HWRPRRRF 0.62
88 RWRFRPPF 0.62
89 FWRPRRHR 0.62
90 RWRFRPPK 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWRPRPPR

2.46

-9.33

-6.87
2 HWRPRPHR

3.2

-9.7

-6.5
3 HWRFRPHR

2.51

-8.97

-6.46
4 RWRFRPPR

2.46

-8.91

-6.45
5 FWRPRPRR

2.81

-9.23

-6.42
6 HWRFRPRR

3.06

-9.47

-6.41
7 HWRFRPPR

2.45

-8.77

-6.32
8 HWRPRPPR

3.01

-9.29

-6.28
9 FWRFRPHR

2.36

-8.59

-6.23
10 RWRPRPPR

2.38

-8.43

-6.05
11 FWRKRPRR

2.57

-8.6

-6.03
12 HWRFRPRF

3.43

-9.44

-6.01
13 FWRFRPPR

2.17

-8.17

-6.0
14 HWRFRRRR

3.48

-9.39

-5.91
15 RWRFRPRR

2.64

-8.55

-5.91
16 HWRPRRRR

2.46

-8.3

-5.84
17 RWRPRPRR

2.66

-8.5

-5.84
18 HWRKRPRR

2.3

-7.99

-5.69
19 HWRFRPRK

2.54

-8.16

-5.62
20 FWRFRPRR

2.5

-8.07

-5.57
21 RWRPRPHR

2.31

-7.65

-5.34
22 HWRKRPHR

2.12

-7.45

-5.33
23 HWRPRPRR

2.44

-7.69

-5.25
24 RWRFRRRR

2.77

-7.93

-5.16
25 RWRFRPHR

2.44

-7.47

-5.03
26 HWRKRPPR

2.94

-7.83

-4.89
27 HWRFRKRR

2.52

-7.23

-4.71
28 HWRPRKRR

2.61

-7.19

-4.58
29 HWRFRRPR

2.52

-6.93

-4.41
30 RWRKRPRR

2.69

-7.08

-4.39

 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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