Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-9.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 1.865 ΔGbinding 4.514
TOTAL
 6.379
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.879
Van der Waals -4.324 Backbone clash 0.034
Electrostatics 0.225 Helix dipole 0.000
Solvation Polar 4.690 Water bridges -0.046
Solvation Hyd -5.772 Disulfide 0.000
VdW clashes 5.604 Electrost. Kon 0.201
Entropy sc 0.302 Part.cov.bonds 0.000
Entropy mc

2.755

 ΔGstability

39.544
       

Predicted ligand sequences for model [ABP1_1OV32-9.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_1OV32-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRHPRW 0.0
2 RRFRHPRW 0.07
3 RRWRHPRF 0.12
4 RRWRPPRW 0.13
5 RRERHPRW 0.17
6 RRFRHPRF 0.19
7 RRFRPPRW 0.2
8 RRWRHRRW 0.2
9 RRWRHLRW 0.23
10 RRWRPPRF 0.25
11 RRFRHRRW 0.27
12 RRERHPRF 0.29
13 RRERPPRW 0.3
14 RRFRHLRW 0.3
15 RRWRHRRF 0.31
16 RRFRPPRF 0.32
17 RRWRPRRW 0.33
18 RRWKHPRW 0.34
19 RRWRHLRF 0.34
20 RRWRPLRW 0.36
21 RRERHRRW 0.37
22 RRWTHPRW 0.37
23 RRFRHRRF 0.38
24 RRWRHPRM 0.39
25 RRERHLRW 0.4
26 RRFRPRRW 0.4
27 RRFRHLRF 0.41
28 RRFKHPRW 0.42
29 RRERPPRF 0.42
30 RRFRPLRW 0.43
31 RRWRHPKW 0.43
32 RRFTHPRW 0.44
33 RRWRPRRF 0.44
34 RRWKHPRF 0.46
35 RRFRHPRM 0.46
36 RRWRPLRF 0.47
37 RRERHRRF 0.48
38 RRWKPPRW 0.48
39 RRWTHPRF 0.49
40 RRERPRRW 0.5
41 RRWTPPRW 0.5
42 RRFRPRRF 0.51
43 RRFRHPKW 0.51
44 RRWRPPRM 0.52
45 RRERHLRF 0.52
46 RREKHPRW 0.52
47 RRERPLRW 0.53
48 RRFKHPRF 0.53
49 RRWKHRRW 0.54
50 RRETHPRW 0.54
51 RRFRPLRF 0.55
52 RRFKPPRW 0.55
53 RRWRHPKF 0.55
54 RRFTHPRF 0.56
55 RRERHPRM 0.56
56 RRWRPPKW 0.57
57 RRWKHLRW 0.57
58 RRFTPPRW 0.57
59 RRWTHRRW 0.57
60 RRWRHRRM 0.58
61 RRFRPPRM 0.59
62 RRWKPPRF 0.59
63 RRWTHLRW 0.6
64 RRERPRRF 0.61
65 RRWRHLRM 0.61
66 RRFKHRRW 0.61
67 RRERHPKW 0.61
68 RRFRHPKF 0.62
69 RRWTPPRF 0.62
70 RREKHPRF 0.63
71 RRWRHRKW 0.63
72 RRFKHLRW 0.64
73 RRFRPPKW 0.64
74 RRFTHRRW 0.64
75 RREKPPRW 0.65
76 RRFRHRRM 0.65
77 RRERPLRF 0.65
78 RRWKHRRF 0.66
79 RRETHPRF 0.66
80 RRWRHLKW 0.66
81 RRFKPPRF 0.66
82 RRWKPRRW 0.67
83 RRFTHLRW 0.67
84 RRWRPPKF 0.68
85 RRETPPRW 0.68
86 RRWTHRRF 0.68
87 RRERPPRM 0.69
88 RRFTPPRF 0.69
89 RRWKHLRF 0.69
90 RRFRHLRM 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRERPPRF

3.18

-10.84

-7.66
2 RRERHPRF

2.39

-9.75

-7.36
3 RRWTHPRW

3.35

-10.48

-7.13
4 RRFRHLRW

3.19

-10.29

-7.1
5 RRFRHRRF

2.79

-9.64

-6.85
6 RRWRHLRW

2.97

-9.72

-6.75
7 RRFRHPRW

2.69

-9.36

-6.67
8 RRFRPPRF

2.94

-9.6

-6.66
9 RRWRPRRW

2.81

-9.26

-6.45
10 RRERHPRW

2.99

-9.41

-6.42
11 RRWKHPRW

3.55

-9.85

-6.3
12 RRERPPRW

3.01

-9.3

-6.29
13 RRWRHPRM

3.72

-9.85

-6.13
14 RRFRPPRW

3.06

-9.18

-6.12
15 RRFKHPRW

2.51

-8.54

-6.03
16 RRERHLRW

2.96

-8.94

-5.98
17 RRFRHPRF

2.93

-8.81

-5.88
18 RRWRHPRF

3.36

-9.04

-5.68
19 RRWRHRRW

3.02

-8.62

-5.6
20 RRERHRRW

3.08

-8.6

-5.52
21 RRFRHLRF

2.93

-8.38

-5.45
22 RRWRPLRW

2.9

-8.05

-5.15
23 RRFRPLRW

2.58

-7.66

-5.08
24 RRFRPRRW

2.65

-7.64

-4.99
25 RRWRHLRF

3.22

-8.15

-4.93
26 RRWRPPRF

2.52

-7.41

-4.89
27 RRWRHRRF

3.22

-8.07

-4.85
28 RRWRPPRW

3.4

-8.19

-4.79
29 RRFRHRRW

3.17

-7.89

-4.72
30 RRWRHPRW

3.69

-8.27

-4.58

 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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