Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-16.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
poly-Ala
A
A
A
A
A
G
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 1.798 ΔGbinding 1.684
TOTAL
 3.482
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.525
Van der Waals -3.507 Backbone clash 0.283
Electrostatics 0.631 Helix dipole 0.000
Solvation Polar 3.940 Water bridges -0.011
Solvation Hyd -5.175 Disulfide 0.000
VdW clashes 1.098 Electrost. Kon 0.583
Entropy sc 0.367 Part.cov.bonds 0.000
Entropy mc

3.232

 ΔGstability

14.619
       

Predicted ligand sequences for model [ABP1_1JO8-16.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_1JO8-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHPIRSRHF 0.0
2 RHPIKSRHF 0.07
3 RHFIRSRHF 0.08
4 RHYIRSRHF 0.13
5 RHFIKSRHF 0.15
6 RHHIRSRHF 0.17
7 RHYIKSRHF 0.19
8 RHPIRSRHP 0.21
9 RHHIKSRHF 0.23
10 RHRIRSRHF 0.24
11 RHPIKSRHP 0.27
12 RHPIRGRHF 0.27
13 RHFIRSRHP 0.29
14 RHRIKSRHF 0.3
15 RHPKRSRHF 0.32
16 RHYIRSRHP 0.33
17 RHPIKGRHF 0.34
18 RHFIRGRHF 0.36
19 RHFIKSRHP 0.36
20 RHHIRSRHP 0.38
21 RHPKKSRHF 0.38
22 RHFKRSRHF 0.4
23 RHYIKSRHP 0.4
24 RHYIRGRHF 0.4
25 RHFIKGRHF 0.42
26 RHHIRGRHF 0.44
27 RHHIKSRHP 0.44
28 RHYKRSRHF 0.44
29 RHRIRSRHP 0.44
30 RHYIKGRHF 0.46
31 RHFKKSRHF 0.47
32 RHHKRSRHF 0.48
33 RHPIRGRHP 0.48
34 RHHIKGRHF 0.5
35 RHRIRGRHF 0.51
36 RHYKKSRHF 0.51
37 RHRIKSRHP 0.51
38 RHPKRSRHP 0.53
39 RHPIRSRHW 0.53
40 RHPIKGRHP 0.54
41 RHPIRSRHY 0.54
42 RHHKKSRHF 0.55
43 RHRKRSRHF 0.55
44 RHFIRGRHP 0.56
45 RHRIKGRHF 0.57
46 RHPKRGRHF 0.59
47 RHPIKSRHW 0.59
48 RHPKKSRHP 0.59
49 RHFKRSRHP 0.61
50 RHYIRGRHP 0.61
51 RHPIKSRHY 0.61
52 RHFIRSRHW 0.61
53 RHRKKSRHF 0.62
54 RHFIKGRHP 0.63
55 RHFIRSRHY 0.63
56 RHPKKGRHF 0.65
57 RHHIRGRHP 0.65
58 RHYIRSRHW 0.65
59 RHYKRSRHP 0.65
60 RHFKKSRHP 0.67
61 RHYIKGRHP 0.67
62 RHFKRGRHF 0.67
63 RHYIRSRHY 0.67
64 RHFIKSRHW 0.68
65 RHHKRSRHP 0.69
66 RHHIRSRHW 0.69
67 RHFIKSRHY 0.69
68 RHHIKGRHP 0.71
69 RHHIRSRHY 0.71
70 RHRIRGRHP 0.72
71 RHYIKSRHW 0.72
72 RHYKRGRHF 0.72
73 RHYKKSRHP 0.72
74 RHYIKSRHY 0.74
75 RHFKKGRHF 0.74
76 RHHKKSRHP 0.76
77 RHHKRGRHF 0.76
78 RHHIKSRHW 0.76
79 RHRKRSRHP 0.76
80 RHRIRSRHW 0.76
81 RHRIKGRHP 0.78
82 RHYKKGRHF 0.78
83 RHHIKSRHY 0.78
84 RHRIRSRHY 0.78
85 RHPKRGRHP 0.8
86 RHPIRGRHW 0.8
87 RHHKKGRHF 0.82
88 RHPIRGRHY 0.82
89 RHRKKSRHP 0.83
90 RHRKRGRHF 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHYIRGRHF

1.7

-7.23

-5.53
2 RHYIKGRHF

1.79

-6.59

-4.8
3 RHPIRGRHF

1.61

-6.3

-4.69
4 RHHIKSRHP

3.87

-8.5

-4.63
5 RHYKRSRHF

3.99

-8.59

-4.6
6 RHFIKGRHF

1.46

-5.78

-4.32
7 RHPIKGRHF

1.42

-5.67

-4.25
8 RHYIRSRHP

3.39

-7.41

-4.02
9 RHHIRSRHP

3.43

-7.42

-3.99
10 RHPIKSRHP

3.25

-7.16

-3.91
11 RHHIRGRHF

2.31

-6.22

-3.91
12 RHYIKSRHP

3.35

-6.87

-3.52
13 RHPKRSRHF

3.66

-7.17

-3.51
14 RHRIRSRHP

3.47

-6.86

-3.39
15 RHPIRSRHP

3.28

-6.64

-3.36
16 RHFIRGRHF

2.31

-5.58

-3.27
17 RHFIKSRHP

3.95

-7.13

-3.18
18 RHPIRSRHF

3.45

-6.58

-3.13
19 RHFIRSRHP

3.63

-6.75

-3.12
20 RHFIRSRHF

3.57

-6.16

-2.59
21 RHHIRSRHF

3.78

-6.36

-2.58
22 RHPKKSRHF

3.62

-6.03

-2.41
23 RHHIKSRHF

3.66

-6.01

-2.35
24 RHYIRSRHF

3.91

-6.15

-2.24
25 RHRIRSRHF

3.9

-5.94

-2.04
26 RHRIKSRHF

3.4

-5.08

-1.68
27 RHFIKSRHF

3.92

-5.57

-1.65
28 RHFKRSRHF

3.77

-5.26

-1.49
29 RHPIKSRHF

3.92

-5.31

-1.39
30 RHYIKSRHF

4.5

-5.82

-1.32

 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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