Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
G
 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    

(Help)

Intraclash 0.544 ΔGbinding -1.274
TOTAL
 -0.730
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.253
Van der Waals -2.819 Backbone clash 0.000
Electrostatics 0.234 Helix dipole 0.000
Solvation Polar 2.985 Water bridges 0.000
Solvation Hyd -3.964 Disulfide 0.000
VdW clashes 0.048 Electrost. Kon 0.327
Entropy sc 0.156 Part.cov.bonds 0.000
Entropy mc

1.505

 ΔGstability

10.824
       

Predicted ligand sequences for model [ABP1_1JO8-7.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_1JO8-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 KMKRRPRK 0.0
2 KMKRRPRR 0.04
3 KMRRRPRK 0.05
4 KMKRPPRK 0.05
5 KMPRRPRK 0.07
6 KMRRRPRR 0.09
7 KMKRPPRR 0.09
8 KMRRPPRK 0.1
9 KMPRRPRR 0.11
10 KMPRPPRK 0.12
11 KMKRKPRK 0.14
12 KMRRPPRR 0.14
13 KMPRPPRR 0.16
14 KMKRRRRK 0.16
15 KMRRKPRK 0.18
16 KMKRKPRR 0.18
17 KNKRRPRK 0.18
18 KMKRRKRK 0.19
19 KMKRRRRR 0.2
20 KMRRRRRK 0.2
21 KMPRKPRK 0.21
22 KMKRPRRK 0.21
23 KNRRRPRK 0.22
24 KNKRRPRR 0.22
25 KMRRKPRR 0.23
26 KMPRRRRK 0.23
27 KMKRRKRR 0.23
28 KNKRPPRK 0.23
29 KMKRPKRK 0.24
30 KMRRRKRK 0.24
31 KMPRKPRR 0.25
32 KMKRPRRR 0.25
33 KNPRRPRK 0.25
34 KMRRRRRR 0.25
35 KMKIRPRK 0.26
36 KMPRRKRK 0.26
37 KNRRRPRR 0.26
38 KMRRPRRK 0.26
39 KMPRRRRR 0.27
40 KNRRPPRK 0.27
41 KNKRPPRR 0.27
42 KMPRPRRK 0.28
43 KMKRPKRR 0.28
44 KMRRRKRR 0.28
45 KNPRRPRR 0.29
46 KMRRPKRK 0.29
47 KMKIRPRR 0.3
48 KMKRKRRK 0.3
49 KMPRRKRR 0.3
50 KMRRPRRR 0.3
51 KMKKRPRK 0.3
52 KNPRPPRK 0.3
53 KMPRPKRK 0.31
54 KMRIRPRK 0.31
55 KMKIPPRK 0.31
56 KMPRPRRR 0.32
57 KNRRPPRR 0.32
58 KNKRKPRK 0.32
59 KMKRKKRK 0.33
60 KMRRPKRR 0.33
61 KMRRKRRK 0.34
62 KMKRKRRR 0.34
63 KNKRRRRK 0.34
64 KNPRPPRR 0.34
65 KMPIRPRK 0.34
66 KMPRPKRR 0.35
67 KMRIRPRR 0.35
68 KMRKRPRK 0.35
69 KMKKRPRR 0.35
70 KMKIPPRR 0.35
71 KMKKPPRK 0.36
72 KNRRKPRK 0.36
73 KMRIPPRK 0.36
74 KNKRKPRR 0.36
75 KMPRKRRK 0.37
76 KMKRKKRR 0.37
77 KNKRRKRK 0.37
78 KMRRKRRR 0.38
79 KNKRRRRR 0.38
80 KMRRKKRK 0.38
81 KNRRRRRK 0.38
82 KMPKRPRK 0.38
83 KMPIRPRR 0.38
84 KNPRKPRK 0.39
85 KMRKRPRR 0.39
86 KMPIPPRK 0.39
87 KNKRPRRK 0.39
88 KMRKPPRK 0.4
89 KMKKPPRR 0.4
90 KMKIKPRK 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KMPRPPRR

1.74

-10.44

-8.7
2 KMKRPPRK

1.61

-9.9

-8.29
3 KMRRRKRK

2.19

-10.02

-7.83
4 KNKRRPRR

1.81

-9.27

-7.46
5 KMPRRPRK

1.7

-9.09

-7.39
6 KMPRRPRR

1.91

-9.15

-7.24
7 KMRRPPRR

1.45

-8.69

-7.24
8 KMRRPPRK

1.61

-8.83

-7.22
9 KNKRRPRK

2.16

-9.34

-7.18
10 KMKRPPRR

1.81

-8.92

-7.11
11 KMRRKPRR

1.86

-8.93

-7.07
12 KMKRRPRR

1.8

-8.87

-7.07
13 KMKRPKRK

1.74

-8.72

-6.98
14 KNKRPPRK

1.63

-8.6

-6.97
15 KMRRRRRK

2.16

-9.08

-6.92
16 KMPRKPRK

1.74

-8.66

-6.92
17 KMKRRPRK

1.88

-8.73

-6.85
18 KMKRRRRK

2.06

-8.85

-6.79
19 KNRRRPRK

1.88

-8.64

-6.76
20 KMRRKPRK

1.95

-8.66

-6.71
21 KMKRPRRK

2.11

-8.79

-6.68
22 KMRRRPRR

2.14

-8.8

-6.66
23 KMKRRKRR

2.1

-8.73

-6.63
24 KMPRRRRK

2.21

-8.71

-6.5
25 KMKRRRRR

2.23

-8.65

-6.42
26 KMPRPPRK

1.39

-7.72

-6.33
27 KMRRRPRK

1.6

-7.87

-6.27
28 KMKRKPRR

1.72

-7.76

-6.04
29 KMKRKPRK

1.69

-7.66

-5.97
30 KMKRRKRK

1.88

-7.82

-5.94

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER