Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-12.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 0.917 ΔGbinding -0.873
TOTAL
 0.044
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.301
Van der Waals -1.883 Backbone clash 0.000
Electrostatics 0.121 Helix dipole 0.000
Solvation Polar 1.927 Water bridges -0.024
Solvation Hyd -2.668 Disulfide 0.000
VdW clashes 0.079 Electrost. Kon 0.115
Entropy sc 0.078 Part.cov.bonds 0.000
Entropy mc

1.079

 ΔGstability

34.251
       

Predicted ligand sequences for model [ABP1_1OV32-12.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_1OV32-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKIRRRRK 0.0
2 HKIRRRRK 0.05
3 FKIRRRRR 0.05
4 RKIRRRRK 0.08
5 HKIRRRRR 0.1
6 RKIRRRRR 0.13
7 FKIRKRRK 0.14
8 FKIRPRRK 0.15
9 FKIRKRRR 0.18
10 HKIRKRRK 0.19
11 HKIRPRRK 0.2
12 FKIRPRRR 0.2
13 RKIRKRRK 0.21
14 RKIRPRRK 0.23
15 FWIRRRRK 0.24
16 HKIRKRRR 0.24
17 HKIRPRRR 0.25
18 RKIRKRRR 0.26
19 RKIRPRRR 0.28
20 FWIRRRRR 0.29
21 HWIRRRRK 0.3
22 RWIRRRRK 0.32
23 HWIRRRRR 0.34
24 FKRRRRRK 0.36
25 RWIRRRRR 0.37
26 FWIRKRRK 0.38
27 FWIRPRRK 0.39
28 HKRRRRRK 0.41
29 FKRRRRRR 0.41
30 FKWRRRRK 0.41
31 FFIRRRRK 0.42
32 FWIRKRRR 0.43
33 HWIRKRRK 0.43
34 FWIRPRRR 0.44
35 RKRRRRRK 0.44
36 HWIRPRRK 0.45
37 HKRRRRRR 0.46
38 RWIRKRRK 0.46
39 FKWRRRRR 0.46
40 HFIRRRRK 0.47
41 RWIRPRRK 0.47
42 HKWRRRRK 0.47
43 FFIRRRRR 0.47
44 FKIRRRRH 0.48
45 HWIRKRRR 0.48
46 HWIRPRRR 0.49
47 RKWRRRRK 0.49
48 RKRRRRRR 0.49
49 RFIRRRRK 0.5
50 FKRRKRRK 0.5
51 FKRRPRRK 0.51
52 RWIRKRRR 0.51
53 HFIRRRRR 0.52
54 HKWRRRRR 0.52
55 RWIRPRRR 0.52
56 HKIRRRRH 0.53
57 RKWRRRRR 0.54
58 RKIRRRRH 0.55
59 FKWRKRRK 0.55
60 FFIRKRRK 0.55
61 FKRRKRRR 0.55
62 RFIRRRRR 0.55
63 HKRRKRRK 0.55
64 FKWRPRRK 0.56
65 FKRRPRRR 0.56
66 HKRRPRRK 0.57
67 FFIRPRRK 0.57
68 RKRRKRRK 0.58
69 RKRRPRRK 0.59
70 FWRRRRRK 0.6
71 FFIRKRRR 0.6
72 FKWRKRRR 0.6
73 HKRRKRRR 0.6
74 HKWRKRRK 0.6
75 HKRRPRRR 0.61
76 FKIRKRRH 0.61
77 FKWRPRRR 0.61
78 HFIRKRRK 0.61
79 HKWRPRRK 0.62
80 HFIRPRRK 0.62
81 RKRRKRRR 0.62
82 FFIRPRRR 0.62
83 RFIRKRRK 0.63
84 FKIRPRRH 0.63
85 RKWRKRRK 0.63
86 RKWRPRRK 0.64
87 RKRRPRRR 0.64
88 FWRRRRRR 0.65
89 HKWRKRRR 0.65
90 RFIRPRRK 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWIRRRRR

3.55

-11.78

-8.23
2 HWIRRRRK

3.82

-11.75

-7.93
3 FWIRRRRK

3.21

-11.07

-7.86
4 FKIRKRRK

2.99

-10.47

-7.48
5 FWIRRRRR

3.3

-10.6

-7.3
6 FKIRKRRR

3.04

-10.15

-7.11
7 RKIRPRRK

3.21

-10.27

-7.06
8 HKIRRRRR

3.07

-9.8

-6.73
9 RKIRPRRR

3.22

-9.62

-6.4
10 RKIRKRRK

3.24

-9.63

-6.39
11 FKWRRRRK

3.71

-10.06

-6.35
12 RKIRRRRK

4.41

-10.72

-6.31
13 RKIRRRRR

3.1

-9.29

-6.19
14 RKIRKRRR

3.16

-9.26

-6.1
15 HKIRKRRR

3.06

-9.13

-6.07
16 RWIRRRRK

3.48

-9.48

-6.0
17 HKIRPRRR

3.42

-9.25

-5.83
18 FKIRRRRR

2.88

-8.7

-5.82
19 FKRRRRRR

3.44

-9.02

-5.58
20 FKIRPRRK

2.93

-8.5

-5.57
21 FKIRRRRK

3.19

-8.72

-5.53
22 HKIRPRRK

3.29

-8.82

-5.53
23 HKIRKRRK

3.11

-8.62

-5.51
24 HWIRRRRR

3.26

-8.72

-5.46
25 FKIRPRRR

2.95

-8.37

-5.42
26 FWIRPRRK

2.9

-8.29

-5.39
27 HKIRRRRK

3.61

-8.62

-5.01
28 FWIRKRRK

3.04

-7.91

-4.87
29 HKRRRRRK

3.5

-8.25

-4.75
30 FKRRRRRK

3.5

-7.81

-4.31

 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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