Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-29.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 5.418 ΔGbinding 2.964
TOTAL
 8.382
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.773
Van der Waals -3.613 Backbone clash 0.000
Electrostatics 0.009 Helix dipole 0.000
Solvation Polar 3.952 Water bridges 0.000
Solvation Hyd -4.896 Disulfide 0.000
VdW clashes 6.037 Electrost. Kon -0.062
Entropy sc 0.659 Part.cov.bonds 0.000
Entropy mc

2.656

 ΔGstability

42.041
       

Predicted ligand sequences for model [ABP1_1OV32-29.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_1OV32-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYKRRHPHMR 0.0
2 HYFRRHPHMR 0.01
3 HYKGRHPHMR 0.01
4 HYPRRHPHMR 0.02
5 HYFGRHPHMR 0.03
6 HYPGRHPHMR 0.03
7 RYKRRHPHMR 0.06
8 HYKWRHPHMR 0.06
9 HYKRRHRHMR 0.06
10 RYKGRHPHMR 0.07
11 RYPRRHPHMR 0.07
12 HYFRRHRHMR 0.07
13 HYFWRHPHMR 0.07
14 HYKGRHRHMR 0.07
15 HYPWRHPHMR 0.07
16 RYFRRHPHMR 0.07
17 RYFGRHPHMR 0.08
18 KYKRRHPHMR 0.08
19 HYPRRHRHMR 0.08
20 HYKRRHKHMR 0.09
21 RYPGRHPHMR 0.09
22 HYFGRHRHMR 0.09
23 KYFRRHPHMR 0.09
24 HYPGRHRHMR 0.09
25 HYKGRHKHMR 0.1
26 KYKGRHPHMR 0.1
27 HYPRRHKHMR 0.1
28 KYPRRHPHMR 0.1
29 HYFRRHKHMR 0.1
30 RYKRRHRHMR 0.11
31 RYKWRHPHMR 0.11
32 KYFGRHPHMR 0.11
33 HYFGRHKHMR 0.11
34 KYPGRHPHMR 0.11
35 HYKRRHPHRR 0.12
36 HYPGRHKHMR 0.12
37 HYKWRHRHMR 0.12
38 RYFWRHPHMR 0.12
39 RYFRRHRHMR 0.13
40 RYPRRHRHMR 0.13
41 RYKGRHRHMR 0.13
42 HYFRRHPHRR 0.13
43 RYPWRHPHMR 0.13
44 HYFWRHRHMR 0.13
45 HYPWRHRHMR 0.13
46 HYPRRHPHRR 0.14
47 RYFGRHRHMR 0.14
48 RYKRRHKHMR 0.14
49 HYKGRHPHRR 0.14
50 HYKWRHKHMR 0.14
51 KYKRRHRHMR 0.14
52 KYKWRHPHMR 0.14
53 KYKGRHRHMR 0.15
54 HYFGRHPHRR 0.15
55 RYPGRHRHMR 0.15
56 KYPRRHRHMR 0.15
57 KYPWRHPHMR 0.15
58 KYFRRHRHMR 0.15
59 KYFWRHPHMR 0.15
60 RYFRRHKHMR 0.15
61 HYPGRHPHRR 0.15
62 RYPRRHKHMR 0.16
63 HYPWRHKHMR 0.16
64 HYFWRHKHMR 0.16
65 RYKGRHKHMR 0.16
66 KYFGRHRHMR 0.17
67 KYKRRHKHMR 0.17
68 KYPGRHRHMR 0.17
69 RYKWRHRHMR 0.17
70 RYFGRHKHMR 0.17
71 RYPGRHKHMR 0.17
72 RYKRRHPHRR 0.18
73 KYKGRHKHMR 0.18
74 HYKRRHRHRR 0.18
75 HYKRRHPHMH 0.18
76 HYKWRHPHRR 0.18
77 KYPRRHKHMR 0.18
78 RYFWRHRHMR 0.18
79 KYFRRHKHMR 0.18
80 RYKGRHPHRR 0.19
81 KYFGRHKHMR 0.19
82 RYPWRHRHMR 0.19
83 RYPRRHPHRR 0.19
84 HYKGRHRHRR 0.19
85 HYFRRHPHMH 0.19
86 HYFRRHRHRR 0.19
87 HYFWRHPHRR 0.19
88 RYFRRHPHRR 0.19
89 HYPRRHPHMH 0.2
90 RYKWRHKHMR 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HYFGRHPHMR

5.74

-12.01

-6.27
2 HYFRRHRHMR

5.29

-11.48

-6.19
3 HYFGRHRHMR

5.34

-11.17

-5.83
4 RYKRRHPHMR

5.26

-10.24

-4.98
5 HYPRRHRHMR

4.82

-8.58

-3.76
6 HYFRRHPHMR

5.05

-8.61

-3.56
7 HYPRRHPHMR

5.66

-9.2

-3.54
8 HYPRRHKHMR

4.83

-8.29

-3.46
9 HYKRRHPHMR

4.81

-8.25

-3.44
10 HYFRRHKHMR

5.23

-8.55

-3.32
11 HYKGRHKHMR

5.01

-8.29

-3.28
12 HYPWRHPHMR

4.99

-8.26

-3.27
13 RYFRRHPHMR

5.0

-8.21

-3.21
14 KYFRRHPHMR

5.02

-8.17

-3.15
15 HYPGRHPHMR

5.63

-8.72

-3.09
16 RYKRRHRHMR

5.25

-8.29

-3.04
17 RYFGRHPHMR

6.08

-9.08

-3.0
18 KYKRRHPHMR

5.5

-8.37

-2.87
19 HYKRRHKHMR

4.94

-7.71

-2.77
20 HYPGRHRHMR

5.38

-8.13

-2.75
21 HYKGRHRHMR

5.48

-8.2

-2.72
22 KYPRRHPHMR

5.1

-7.75

-2.65
23 HYFWRHPHMR

5.12

-7.7

-2.58
24 RYPGRHPHMR

5.12

-7.58

-2.46
25 RYKGRHPHMR

5.86

-8.16

-2.3
26 HYKGRHPHMR

5.62

-7.8

-2.18
27 RYPRRHPHMR

6.01

-8.15

-2.14
28 HYKRRHRHMR

6.28

-8.04

-1.76
29 HYKWRHPHMR

6.23

-7.83

-1.6
30 KYKGRHPHMR

6.2

-7.71

-1.51

 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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