Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-3.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
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 2.563 ΔGbinding 2.010
TOTAL
 4.573
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.585
Van der Waals -4.016 Backbone clash 0.131
Electrostatics -0.086 Helix dipole 0.000
Solvation Polar 3.935 Water bridges -0.003
Solvation Hyd -6.220 Disulfide 0.000
VdW clashes 3.473 Electrost. Kon -0.199
Entropy sc 0.493 Part.cov.bonds 0.000
Entropy mc

3.049

 ΔGstability

17.033
       

Predicted ligand sequences for model [ABP1_1JO8-3.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_1JO8-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 KIKRRGRPRY 0.0
2 KIYRRGRPRY 0.05
3 KMKRRGRPRY 0.05
4 KIKRHGRPRY 0.07
5 KMYRRGRPRY 0.1
6 KIYRHGRPRY 0.13
7 KMKRHGRPRY 0.13
8 KPKRRGRPRY 0.15
9 KMYRHGRPRY 0.18
10 KPYRRGRPRY 0.2
11 KIKRKGRPRY 0.2
12 KPKRHGRPRY 0.22
13 RIKRRGRPRY 0.24
14 KMKRKGRPRY 0.25
15 KIYRKGRPRY 0.26
16 KPYRHGRPRY 0.28
17 RMKRRGRPRY 0.29
18 RIYRRGRPRY 0.3
19 KIKRRGRDRY 0.3
20 KMYRKGRPRY 0.31
21 KIRRRGRPRY 0.31
22 RIKRHGRPRY 0.32
23 KIYRRGRDRY 0.35
24 RMYRRGRPRY 0.35
25 KMKRRGRDRY 0.35
26 KPKRKGRPRY 0.35
27 KMRRRGRPRY 0.36
28 KIKRHGRDRY 0.37
29 RMKRHGRPRY 0.37
30 RIYRHGRPRY 0.37
31 RPKRRGRPRY 0.39
32 KIRRHGRPRY 0.39
33 KIKRRGRHRY 0.4
34 KIKRRGRPEY 0.4
35 KMYRRGRDRY 0.4
36 KPYRKGRPRY 0.4
37 KIYRHGRDRY 0.42
38 RMYRHGRPRY 0.42
39 KMKRHGRDRY 0.42
40 KMRRHGRPRY 0.44
41 KPKRRGRDRY 0.44
42 KIYRRGRHRY 0.45
43 KIYRRGRPEY 0.45
44 KMKRRGRHRY 0.45
45 RPYRRGRPRY 0.45
46 KMKRRGRPEY 0.45
47 RIKRKGRPRY 0.45
48 KPRRRGRPRY 0.46
49 KIKRHGRPEY 0.47
50 KIKRHGRHRY 0.47
51 RPKRHGRPRY 0.47
52 KMYRHGRDRY 0.47
53 RMKRKGRPRY 0.5
54 RIYRKGRPRY 0.5
55 KPYRRGRDRY 0.5
56 KIKRKGRDRY 0.5
57 KMYRRGRHRY 0.5
58 KMYRRGRPEY 0.5
59 KIYRHGRHRY 0.52
60 KIRRKGRPRY 0.52
61 KPKRHGRDRY 0.52
62 KIYRHGRPEY 0.52
63 KMKRHGRPEY 0.52
64 RPYRHGRPRY 0.52
65 KMKRHGRHRY 0.52
66 KPRRHGRPRY 0.54
67 RIKRRGRDRY 0.54
68 RMYRKGRPRY 0.55
69 KPKRRGRPEY 0.55
70 KIYRKGRDRY 0.55
71 KMKRKGRDRY 0.55
72 KPKRRGRHRY 0.55
73 RIRRRGRPRY 0.56
74 KMYRHGRHRY 0.57
75 KPYRHGRDRY 0.57
76 KMRRKGRPRY 0.57
77 KMYRHGRPEY 0.57
78 RIYRRGRDRY 0.59
79 RMKRRGRDRY 0.59
80 KIKRKGRPEY 0.6
81 RPKRKGRPRY 0.6
82 KPYRRGRPEY 0.6
83 KMYRKGRDRY 0.6
84 KPYRRGRHRY 0.6
85 KIKRKGRHRY 0.6
86 RIKRHGRDRY 0.61
87 KIRRRGRDRY 0.61
88 RMRRRGRPRY 0.61
89 KPKRHGRHRY 0.62
90 KPKRHGRPEY 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KMRRRGRPRY

5.59

-13.25

-7.66
2 RIKRRGRPRY

6.0

-13.25

-7.25
3 KPKRRGRPRY

5.44

-11.9

-6.46
4 KIYRKGRPRY

6.52

-12.68

-6.16
5 KPYRHGRPRY

5.29

-11.39

-6.1
6 KIYRHGRPRY

6.63

-12.63

-6.0
7 KIKRKGRPRY

5.81

-11.78

-5.97
8 KMKRHGRPRY

6.25

-12.11

-5.86
9 KIKRHGRPRY

5.81

-11.64

-5.83
10 KIKRRGRPRY

6.11

-11.94

-5.83
11 RMKRRGRPRY

5.89

-11.67

-5.78
12 KIRRRGRPRY

6.28

-11.99

-5.71
13 KPYRRGRPRY

5.55

-11.2

-5.65
14 KIKRHGRDRY

6.48

-11.91

-5.43
15 RIYRRGRPRY

6.24

-11.44

-5.2
16 KPKRKGRPRY

5.53

-10.71

-5.18
17 RMKRHGRPRY

6.03

-11.18

-5.15
18 KIYRRGRDRY

5.76

-10.87

-5.11
19 KMYRHGRPRY

6.55

-11.5

-4.95
20 KIKRRGRDRY

5.83

-10.73

-4.9
21 KPKRHGRPRY

5.37

-10.07

-4.7
22 KMKRRGRDRY

5.84

-10.44

-4.6
23 RIKRHGRPRY

6.1

-10.51

-4.41
24 KMKRKGRPRY

5.96

-10.24

-4.28
25 KMKRRGRPRY

6.43

-10.58

-4.15
26 KMYRRGRPRY

5.34

-9.48

-4.14
27 RIYRHGRPRY

6.37

-10.33

-3.96
28 KIYRRGRPRY

6.27

-9.91

-3.64
29 KMYRKGRPRY

6.07

-9.63

-3.56
30 RMYRRGRPRY

5.96

-8.8

-2.84

 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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