Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-21.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 1.116 ΔGbinding -1.041
TOTAL
 0.075
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.108
Van der Waals -1.681 Backbone clash 0.079
Electrostatics 0.133 Helix dipole 0.000
Solvation Polar 1.501 Water bridges -0.014
Solvation Hyd -2.538 Disulfide 0.000
VdW clashes 0.286 Electrost. Kon 0.083
Entropy sc 0.057 Part.cov.bonds 0.000
Entropy mc

1.023

 ΔGstability

16.185
       

Predicted ligand sequences for model [ABP1_1JO8-21.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).
 
  ABP1_1JO8-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKKLGIPKRH 0.0
2 RKRLGIPKRH 0.02
3 RKKLGRPKRH 0.03
4 RKKLGFPKRH 0.03
5 RKRLGFPKRH 0.04
6 RKILGIPKRH 0.04
7 RKRLGRPKRH 0.05
8 RKILGRPKRH 0.07
9 RKILGFPKRH 0.07
10 RKKLGIPTRH 0.09
11 RKRLGIPTRH 0.1
12 RKKLGRPTRH 0.12
13 RKKLGFPTRH 0.12
14 RKILGIPTRH 0.13
15 RKRLGRPTRH 0.13
16 RKRLGFPTRH 0.13
17 KKKLGIPKRH 0.14
18 KKRLGIPKRH 0.15
19 RKILGRPTRH 0.16
20 RKILGFPTRH 0.16
21 RKKLHIPKRH 0.17
22 KKKLGFPKRH 0.17
23 KKKLGRPKRH 0.17
24 KKRLGFPKRH 0.18
25 KKILGIPKRH 0.18
26 KKRLGRPKRH 0.18
27 HKKLGIPKRH 0.18
28 RKRLHIPKRH 0.19
29 RKKIGIPKRH 0.2
30 HKRLGIPKRH 0.2
31 RKKLHFPKRH 0.2
32 RKKLHRPKRH 0.2
33 HKKLGFPKRH 0.21
34 RKRLHFPKRH 0.21
35 RKRIGIPKRH 0.21
36 HKKLGRPKRH 0.21
37 KKILGRPKRH 0.21
38 KKILGFPKRH 0.21
39 RKILHIPKRH 0.22
40 RKRLHRPKRH 0.22
41 RKKIGFPKRH 0.22
42 KKKLGIPTRH 0.23
43 HKRLGFPKRH 0.23
44 RKKIGRPKRH 0.23
45 HKILGIPKRH 0.23
46 HKRLGRPKRH 0.23
47 RKRIGFPKRH 0.24
48 RKRIGRPKRH 0.24
49 KKRLGIPTRH 0.24
50 RKIIGIPKRH 0.24
51 RKILHFPKRH 0.24
52 KKKLGFPTRH 0.25
53 RKILHRPKRH 0.25
54 RKKLRIPKRH 0.25
55 HKILGRPKRH 0.26
56 RKKLHIPTRH 0.26
57 KKKLGRPTRH 0.26
58 HKILGFPKRH 0.26
59 RKRLRIPKRH 0.26
60 KKRLGFPTRH 0.27
61 KKRLGRPTRH 0.27
62 RKIIGRPKRH 0.27
63 KKILGIPTRH 0.27
64 RKIIGFPKRH 0.27
65 HKKLGIPTRH 0.27
66 RKRLHIPTRH 0.28
67 RKKLRRPKRH 0.28
68 RKKIGIPTRH 0.28
69 RKKLRFPKRH 0.28
70 RKKLHRPTRH 0.29
71 HKRLGIPTRH 0.29
72 RKRLRRPKRH 0.29
73 RKILRIPKRH 0.29
74 RKKLHFPTRH 0.29
75 RKRLRFPKRH 0.29
76 RKILHIPTRH 0.3
77 KKILGRPTRH 0.3
78 HKKLGFPTRH 0.3
79 RKRIGIPTRH 0.3
80 HKKLGRPTRH 0.3
81 RKRLHRPTRH 0.3
82 KKILGFPTRH 0.3
83 RKRLHFPTRH 0.3
84 RKKIGFPTRH 0.31
85 RKKIGRPTRH 0.31
86 HKRLGFPTRH 0.31
87 HKILGIPTRH 0.31
88 KKKLHIPKRH 0.31
89 HKRLGRPTRH 0.32
90 KKRLHIPKRH 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKILGIPTRH

3.42

-10.89

-7.47
2 RKKIGIPKRH

2.38

-9.84

-7.46
3 RKRLGRPKRH

3.33

-9.89

-6.56
4 KKRLGFPKRH

2.88

-9.36

-6.48
5 RKILGRPKRH

3.17

-9.62

-6.45
6 HKKLGIPKRH

2.79

-9.16

-6.37
7 KKRLGRPKRH

3.13

-9.5

-6.37
8 KKKLGIPKRH

3.62

-9.85

-6.23
9 RKILGFPKRH

3.2

-9.34

-6.14
10 RKKLGIPKRH

3.01

-9.11

-6.1
11 KKKLGFPKRH

2.99

-9.03

-6.04
12 KKILGIPKRH

3.17

-9.2

-6.03
13 RKKLGRPKRH

3.21

-9.22

-6.01
14 RKRLGIPKRH

3.57

-9.54

-5.97
15 RKILGIPKRH

3.43

-9.29

-5.86
16 RKKLGFPTRH

3.45

-9.27

-5.82
17 HKRLGIPKRH

3.33

-8.97

-5.64
18 RKRLGIPTRH

3.55

-9.12

-5.57
19 RKKLGRPTRH

3.47

-8.9

-5.43
20 KKKLGRPKRH

3.76

-9.18

-5.42
21 RKRLGFPTRH

3.22

-8.5

-5.28
22 RKRLHIPKRH

5.33

-10.58

-5.25
23 RKRLGFPKRH

3.44

-8.56

-5.12
24 KKRLGIPKRH

3.83

-8.93

-5.1
25 RKKLGFPKRH

4.11

-9.2

-5.09
26 RKILGRPTRH

3.3

-8.33

-5.03
27 RKKLGIPTRH

3.71

-8.46

-4.75
28 RKRLGRPTRH

3.39

-7.84

-4.45
29 RKILGFPTRH

3.67

-8.11

-4.44
30 RKKLHIPKRH

3.69

-7.57

-3.88

 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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