Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-1.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 1.352 ΔGbinding -2.562
TOTAL
 -1.210
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.907
Van der Waals -3.772 Backbone clash 0.075
Electrostatics -0.045 Helix dipole 0.000
Solvation Polar 3.298 Water bridges -0.008
Solvation Hyd -5.871 Disulfide 0.000
VdW clashes 0.329 Electrost. Kon -0.116
Entropy sc 0.511 Part.cov.bonds 0.000
Entropy mc

2.205

 ΔGstability

8.918
       

Predicted ligand sequences for model [ABP1_1JO8-1.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_1JO8-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRRHRRRRH 0.0
2 RLRRHRRRRH 0.03
3 RMRRWRRRRH 0.08
4 RLRRWRRRRH 0.1
5 RMRRHRRRLH 0.23
6 RLRRHRRRLH 0.25
7 QMRRHRRRRH 0.25
8 RMFRHRRRRH 0.25
9 RMRRHRRRRY 0.25
10 QLRRHRRRRH 0.27
11 RLRRHRRRRY 0.28
12 RLFRHRRRRH 0.28
13 RKRRHRRRRH 0.3
14 RMRRWRRRLH 0.31
15 RLRRWRRRLH 0.33
16 RMRRWRRRRY 0.33
17 QMRRWRRRRH 0.33
18 RMFRWRRRRH 0.33
19 KMRRHRRRRH 0.34
20 RMRRRRRRRH 0.35
21 QLRRWRRRRH 0.35
22 RMKRHRRRRH 0.35
23 RLRRWRRRRY 0.36
24 RLFRWRRRRH 0.36
25 RMRRHRRRRK 0.36
26 KLRRHRRRRH 0.37
27 RLRRRRRRRH 0.38
28 RKRRWRRRRH 0.38
29 RLKRHRRRRH 0.38
30 RLRRHRRRRK 0.39
31 KMRRWRRRRH 0.42
32 RMKRWRRRRH 0.43
33 RMRRWRRRRK 0.44
34 KLRRWRRRRH 0.45
35 RLKRWRRRRH 0.46
36 RLRRWRRRRK 0.46
37 QMRRHRRRLH 0.47
38 RMFRHRRRLH 0.48
39 RMRRHRRRLY 0.48
40 QMFRHRRRRH 0.5
41 QMRRHRRRRY 0.5
42 RMFRHRRRRY 0.5
43 QLRRHRRRLH 0.5
44 RLFRHRRRLH 0.51
45 RLRRHRRRLY 0.51
46 QLRRHRRRRY 0.52
47 QLFRHRRRRH 0.52
48 RKRRHRRRLH 0.53
49 RLFRHRRRRY 0.53
50 QKRRHRRRRH 0.54
51 QMRRWRRRLH 0.55
52 RKFRHRRRRH 0.55
53 RKRRHRRRRY 0.55
54 RMRRWRRRLY 0.56
55 RMFRWRRRLH 0.56
56 KMRRHRRRLH 0.57
57 RLRRWRRRLY 0.58
58 QMRRWRRRRY 0.58
59 RLFRWRRRLH 0.58
60 RMKRHRRRLH 0.58
61 QMFRWRRRRH 0.58
62 QLRRWRRRLH 0.58
63 RMRRRRRRLH 0.58
64 RMFRWRRRRY 0.58
65 KMFRHRRRRH 0.59
66 RMRRHRRRLK 0.59
67 KMRRHRRRRY 0.59
68 RLRRRRRRLH 0.6
69 RMRRRRRRRY 0.6
70 QLRRWRRRRY 0.6
71 RMKRHRRRRY 0.6
72 KLRRHRRRLH 0.6
73 QLFRWRRRRH 0.6
74 RKRRWRRRLH 0.6
75 QMKRHRRRRH 0.6
76 RMFRRRRRRH 0.6
77 QMRRRRRRRH 0.6
78 RLKRHRRRLH 0.61
79 RLFRWRRRRY 0.61
80 RLRRHRRRLK 0.61
81 QMRRHRRRRK 0.61
82 RMFRHRRRRK 0.61
83 KLRRHRRRRY 0.62
84 QLRRRRRRRH 0.62
85 KLFRHRRRRH 0.62
86 QLKRHRRRRH 0.62
87 QKRRWRRRRH 0.62
88 RKFRWRRRRH 0.63
89 RLFRRRRRRH 0.63
90 RKRRWRRRRY 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMRRHRRRLH

3.08

-19.55

-16.47
2 RMFRHRRRRH

3.02

-18.85

-15.83
3 RMRRHRRRRY

2.6

-17.9

-15.3
4 RMKRHRRRRH

2.29

-17.44

-15.15
5 KMRRHRRRRH

2.44

-17.29

-14.85
6 RKRRHRRRRH

2.6

-17.36

-14.76
7 RLRRWRRRRY

2.92

-17.57

-14.65
8 RLRRHRRRRY

3.0

-17.18

-14.18
9 RLRRRRRRRH

3.06

-16.83

-13.77
10 RMRRRRRRRH

2.69

-16.43

-13.74
11 RKRRWRRRRH

2.7

-16.43

-13.73
12 RMRRWRRRRH

2.77

-16.26

-13.49
13 RLRRHRRRLH

2.66

-16.11

-13.45
14 RMFRWRRRRH

2.61

-15.85

-13.24
15 QMRRHRRRRH

2.41

-15.57

-13.16
16 RLRRHRRRRK

2.57

-15.51

-12.94
17 RMRRHRRRRK

2.37

-15.16

-12.79
18 RLFRHRRRRH

3.23

-15.59

-12.36
19 KLRRHRRRRH

3.23

-14.63

-11.4
20 RLRRWRRRRH

2.69

-13.84

-11.15
21 RMRRHRRRRH

2.55

-13.54

-10.99
22 RLFRWRRRRH

2.78

-13.75

-10.97
23 RLRRWRRRLH

2.63

-13.6

-10.97
24 RMRRWRRRRY

2.68

-13.24

-10.56
25 RMRRWRRRLH

2.13

-12.51

-10.38
26 RLKRHRRRRH

2.56

-12.62

-10.06
27 QLRRWRRRRH

2.96

-12.7

-9.74
28 RLRRHRRRRH

3.27

-12.87

-9.6
29 QMRRWRRRRH

2.19

-10.77

-8.58
30 QLRRHRRRRH

2.6

-10.63

-8.03

 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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