Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-18.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
 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 1.646 ΔGbinding 0.145
TOTAL
 1.791
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.467
Van der Waals -3.335 Backbone clash 1.156
Electrostatics 0.321 Helix dipole 0.000
Solvation Polar 3.200 Water bridges -0.054
Solvation Hyd -4.978 Disulfide 0.000
VdW clashes 1.194 Electrost. Kon 0.264
Entropy sc 0.290 Part.cov.bonds 0.000
Entropy mc

2.776

 ΔGstability

16.752
       

Predicted ligand sequences for model [ABP1_1JO8-18.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_1JO8-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHKIRSRYWW 0.0
2 RHPIRSRYWW 0.0
3 RHKIRSRKWW 0.02
4 RHPIRSRKWW 0.02
5 RHHIRSRYWW 0.09
6 RHPIRSRYKW 0.09
7 RHKIRSRYKW 0.1
8 RHHIRSRKWW 0.1
9 RHKIRSRKKW 0.11
10 RHPIRSRKKW 0.11
11 RHPIRGRYWW 0.14
12 RHKIRGRYWW 0.15
13 RHPIRGRKWW 0.16
14 RHKIRGRKWW 0.16
15 RHHIRSRYKW 0.18
16 RHKIRRRYWW 0.2
17 RHPIRRRYWW 0.2
18 RHHIRSRKKW 0.2
19 RHPIRRRKWW 0.21
20 RHPIKSRYWW 0.22
21 RHKIRRRKWW 0.22
22 RHKIKSRYWW 0.23
23 RHHIRGRYWW 0.23
24 RHKIRGRYKW 0.24
25 RHPIRGRYKW 0.24
26 RHPIKSRKWW 0.24
27 RHHIRGRKWW 0.24
28 RHKIKSRKWW 0.24
29 RHPIRGRKKW 0.25
30 RHKIRGRKKW 0.26
31 RHHIRRRYWW 0.28
32 RHPIRRRYKW 0.29
33 RHKIRRRYKW 0.3
34 RHKIRSRYWY 0.3
35 RHPIRSRYWY 0.3
36 RHHIRRRKWW 0.3
37 RHKIRRRKKW 0.31
38 RHHIKSRYWW 0.31
39 RHPIRRRKKW 0.31
40 RHPIRSRKWY 0.31
41 RHHIKSRKWW 0.32
42 RHKIRSRKWY 0.32
43 RHHIRGRYKW 0.32
44 RHPIKSRYKW 0.32
45 RHKIKSRYKW 0.32
46 RHPIKSRKKW 0.33
47 RHKIKSRKKW 0.34
48 RHHIRGRKKW 0.34
49 RHPIKGRYWW 0.36
50 RHKIRSRYWF 0.37
51 RHPIRSRYWF 0.37
52 RHKIKGRYWW 0.37
53 RHPIRSRWWW 0.38
54 RHKIRSRWWW 0.38
55 RHHIRSRYWY 0.38
56 RHHIRRRYKW 0.38
57 RHPIKGRKWW 0.38
58 RHPIRSRKWF 0.38
59 RHHIRRRKKW 0.39
60 RHKIKGRKWW 0.39
61 RHKIRSRKWF 0.39
62 RHPIRSRYKY 0.39
63 RHKIRSRYKY 0.4
64 RHHIRSRKWY 0.4
65 RHHIKSRYKW 0.4
66 RHKIRSRKKY 0.41
67 RHPIRSRKKY 0.41
68 RHHIKSRKKW 0.42
69 RHKIKRRYWW 0.42
70 RHPIKRRYWW 0.42
71 RHKIRGRYWY 0.44
72 RHPIKRRKWW 0.44
73 RHKIKRRKWW 0.44
74 RHPIRGRYWY 0.44
75 RHHIRSRYWF 0.45
76 RHHIKGRYWW 0.45
77 RHKIRSRYKF 0.46
78 YHPIRSRYWW 0.46
79 RHHIRSRWWW 0.46
80 RHKIKGRYKW 0.46
81 RHPIKGRYKW 0.46
82 RHPIRGRKWY 0.46
83 RHPIRSRYKF 0.46
84 RHKIRGRKWY 0.46
85 YHKIRSRYWW 0.46
86 RHHIKGRKWW 0.47
87 YHPIRSRKWW 0.47
88 RHHIRSRKWF 0.47
89 RHPIRSRWKW 0.47
90 RHPIKGRKKW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHPIRGRYKW

1.66

-8.84

-7.18
2 RHHIRGRKWW

1.43

-8.61

-7.18
3 RHPIRGRKWW

1.97

-8.26

-6.29
4 RHPIRRRYWW

4.52

-10.58

-6.06
5 RHKIRGRKWW

1.35

-7.32

-5.97
6 RHHIRGRYWW

2.33

-8.24

-5.91
7 RHPIRSRYKW

3.78

-9.49

-5.71
8 RHKIRGRYWW

1.53

-6.59

-5.06
9 RHPIKSRKWW

3.55

-8.6

-5.05
10 RHPIRGRKKW

1.9

-6.82

-4.92
11 RHPIRSRKWW

3.67

-8.54

-4.87
12 RHPIRRRKWW

4.0

-8.82

-4.82
13 RHPIRGRYWW

3.16

-7.94

-4.78
14 RHKIRGRYKW

2.46

-7.19

-4.73
15 RHKIRGRKKW

1.53

-6.26

-4.73
16 RHPIRSRYWW

3.42

-8.02

-4.6
17 RHPIKSRYWW

3.91

-8.33

-4.42
18 RHKIRRRKWW

3.74

-8.09

-4.35
19 RHKIRSRYKW

4.28

-8.27

-3.99
20 RHHIRSRKWW

4.21

-8.02

-3.81
21 RHKIRSRYWW

3.44

-6.93

-3.49
22 RHKIRRRYWW

5.11

-8.42

-3.31
23 RHHIRSRYKW

3.7

-6.92

-3.22
24 RHPIRSRKKW

3.82

-6.96

-3.14
25 RHHIRSRYWW

3.88

-6.92

-3.04
26 RHHIRSRKKW

3.54

-6.57

-3.03
27 RHKIRSRKWW

4.24

-6.8

-2.56
28 RHKIKSRYWW

4.05

-5.78

-1.73
29 RHKIRSRKKW

4.82

-5.95

-1.13
30 RHKIKSRKWW

4.19

-5.26

-1.07

 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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