Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-15.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
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 0.774 ΔGbinding 0.571
TOTAL
 1.345
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.211
Van der Waals -3.242 Backbone clash 0.166
Electrostatics 0.583 Helix dipole 0.000
Solvation Polar 4.081 Water bridges -0.040
Solvation Hyd -4.628 Disulfide 0.000
VdW clashes 0.032 Electrost. Kon 0.573
Entropy sc 0.520 Part.cov.bonds 0.000
Entropy mc

3.756

 ΔGstability

14.145
       

Predicted ligand sequences for model [ABP1_1JO8-15.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_1JO8-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHRMRRKRR 0.0
2 RHFMRRKRR 0.02
3 RHWMRRKRR 0.04
4 RHRMRRRRR 0.07
5 RHFMRRRRR 0.1
6 RWRMRRKRR 0.1
7 RHWMRRRRR 0.11
8 RWFMRRKRR 0.13
9 RWWMRRKRR 0.14
10 RWRMRRRRR 0.18
11 HHRMRRKRR 0.2
12 RWFMRRRRR 0.2
13 RHRMIRKRR 0.21
14 RWWMRRRRR 0.21
15 HHFMRRKRR 0.23
16 RHRMRRLRR 0.24
17 HHWMRRKRR 0.24
18 RHFMIRKRR 0.24
19 RHRMRRKKR 0.25
20 RHWMIRKRR 0.25
21 RHFMRRLRR 0.26
22 RHFMRRKKR 0.27
23 RHWMRRLRR 0.28
24 HHRMRRRRR 0.28
25 RHRKRRKRR 0.28
26 RHWMRRKKR 0.28
27 RHRMIRRRR 0.29
28 HHFMRRRRR 0.3
29 HWRMRRKRR 0.31
30 RHFMIRRRR 0.31
31 HHWMRRRRR 0.31
32 RHFKRRKRR 0.31
33 RHRMHRKRR 0.31
34 RHRMRRRKR 0.32
35 RHWKRRKRR 0.32
36 RWRMIRKRR 0.32
37 RHWMIRRRR 0.32
38 HWFMRRKRR 0.33
39 RWRMRRLRR 0.34
40 RHFMRRRKR 0.34
41 RHFMHRKRR 0.34
42 HWWMRRKRR 0.34
43 RWFMIRKRR 0.34
44 RWWMIRKRR 0.35
45 RHWMHRKRR 0.35
46 RWRMRRKKR 0.35
47 RHRKRRRRR 0.36
48 RHWMRRRKR 0.36
49 RWFMRRLRR 0.37
50 RWFMRRKKR 0.37
51 RWWMRRLRR 0.38
52 RHFKRRRRR 0.38
53 HWRMRRRRR 0.38
54 RWRMIRRRR 0.39
55 RHWKRRRRR 0.39
56 RHRMHRRRR 0.39
57 RWWMRRKKR 0.39
58 RWRKRRKRR 0.39
59 RHFMHRRRR 0.41
60 HWFMRRRRR 0.41
61 RWFKRRKRR 0.41
62 HHRMIRKRR 0.42
63 RWRMHRKRR 0.42
64 RHWMHRRRR 0.42
65 HWWMRRRRR 0.42
66 RWFMIRRRR 0.42
67 RWRMRRRKR 0.42
68 RWWKRRKRR 0.42
69 RWWMIRRRR 0.43
70 RWFMHRKRR 0.44
71 RHRMRFKRR 0.44
72 HHFMIRKRR 0.44
73 HHRMRRLRR 0.44
74 RWFMRRRKR 0.45
75 HHRMRRKKR 0.45
76 RHRMIRLRR 0.45
77 RWWMHRKRR 0.45
78 HHWMIRKRR 0.45
79 RHFMRFKRR 0.46
80 RHRMRRKMR 0.46
81 RHRMIRKKR 0.46
82 RWRKRRRRR 0.46
83 RWWMRRRKR 0.46
84 HHFMRRKKR 0.47
85 RHWMRFKRR 0.47
86 HHFMRRLRR 0.47
87 HHWMRRLRR 0.48
88 RHFMIRLRR 0.48
89 RHFMIRKKR 0.48
90 HHWMRRKKR 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHRMRRRRR

2.43

-15.91

-13.48
2 RWWMRRRRR

2.22

-15.55

-13.33
3 RWFMRRRRR

2.07

-13.69

-11.62
4 RWRMRRKRR

2.21

-13.45

-11.24
5 RWWMRRKRR

1.77

-12.44

-10.67
6 RHRMRRKRR

2.57

-13.05

-10.48
7 RWRMRRRRR

2.49

-11.79

-9.3
8 RHRMIRRRR

1.43

-10.51

-9.08
9 RHWMRRKKR

1.55

-10.62

-9.07
10 RWFMRRKRR

2.33

-11.38

-9.05
11 HHRMRRRRR

2.38

-11.22

-8.84
12 RHRMRRKKR

1.92

-10.67

-8.75
13 HWRMRRKRR

2.11

-10.8

-8.69
14 RHFMRRLRR

2.38

-11.06

-8.68
15 RHRMRRLRR

1.61

-10.18

-8.57
16 RHWMRRRRR

1.48

-10.05

-8.57
17 RHFMIRKRR

2.74

-11.3

-8.56
18 RHFMRRKRR

2.9

-11.26

-8.36
19 RHFMRRRRR

1.59

-9.78

-8.19
20 RHRMIRKRR

2.12

-10.19

-8.07
21 HHWMRRKRR

1.57

-9.57

-8.0
22 HHFMRRRRR

2.56

-10.38

-7.82
23 RHFMRRKKR

1.56

-9.08

-7.52
24 RHWMRRKRR

1.45

-8.73

-7.28
25 RHWMRRLRR

1.64

-8.86

-7.22
26 RHWMIRKRR

2.6

-9.6

-7.0
27 RHFMIRRRR

2.31

-8.91

-6.6
28 RHRKRRKRR

1.49

-7.52

-6.03
29 HHFMRRKRR

2.28

-8.27

-5.99
30 HHRMRRKRR

4.44

-10.19

-5.75

 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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