Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-25.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 0.689 ΔGbinding 1.861
TOTAL
 2.550
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.551
Van der Waals -4.245 Backbone clash 0.410
Electrostatics -0.102 Helix dipole 0.000
Solvation Polar 4.443 Water bridges -0.015
Solvation Hyd -5.887 Disulfide 0.000
VdW clashes 3.762 Electrost. Kon -0.138
Entropy sc 0.451 Part.cov.bonds 0.000
Entropy mc

3.041

 ΔGstability

19.294
       

Predicted ligand sequences for model [NBP2_1YN8-25.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).
 
  NBP2_1YN8-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRPMGMKP 0.0
2 HRRPMGMRP 0.0
3 KRRPMGMRP 0.02
4 KRRPMGMKP 0.02
5 RRRPMGMRP 0.09
6 HRRPLGMRP 0.1
7 HRRPLGMKP 0.1
8 RRRPMGMKP 0.1
9 KRRPLGMRP 0.11
10 KRRPLGMKP 0.12
11 HRRPMPMKP 0.14
12 HRRPMPMRP 0.14
13 KRRPMPMKP 0.16
14 KRRPMPMRP 0.16
15 HRRPMGMFP 0.17
16 HYRPMGMRP 0.17
17 HYRPMGMKP 0.18
18 RRRPLGMKP 0.19
19 KRRPMGMFP 0.19
20 KYRPMGMRP 0.19
21 RRRPLGMRP 0.19
22 KYRPMGMKP 0.2
23 RRRPMPMRP 0.23
24 HRRPLPMRP 0.24
25 RRRPMPMKP 0.24
26 HRRPLPMKP 0.24
27 KRRPLPMRP 0.25
28 KRRPLPMKP 0.26
29 RRRPMGMFP 0.26
30 HYRPLGMRP 0.27
31 RYRPMGMKP 0.27
32 HRRPLGMFP 0.27
33 RYRPMGMRP 0.27
34 KRRPLGMFP 0.28
35 HYRPLGMKP 0.28
36 HRRPMFMKP 0.29
37 KYRPLGMKP 0.29
38 HRRPMFMRP 0.29
39 KYRPLGMRP 0.29
40 HRRKMGMRP 0.3
41 KRRPMFMRP 0.3
42 HRRPMPMFP 0.31
43 HYRPMPMRP 0.31
44 KRRPMFMKP 0.31
45 HRRKMGMKP 0.31
46 HYRPMPMKP 0.32
47 KRRKMGMRP 0.32
48 KYRPMPMRP 0.33
49 RRRPLPMKP 0.33
50 RRRPLPMRP 0.33
51 KRRKMGMKP 0.33
52 KYRPMPMKP 0.33
53 KRRPMPMFP 0.33
54 HRMPMGMRP 0.34
55 HYRPMGMFP 0.34
56 HRMPMGMKP 0.34
57 RYRPLGMRP 0.36
58 KRMPMGMRP 0.36
59 KYRPMGMFP 0.36
60 KRMPMGMKP 0.36
61 RRRPLGMFP 0.36
62 HRRPKGMKP 0.37
63 RYRPLGMKP 0.37
64 HRRPKGMRP 0.37
65 RRRPMFMRP 0.38
66 HRRRMGMKP 0.39
67 HRRPLFMRP 0.39
68 KRRPKGMKP 0.39
69 HRRPLFMKP 0.39
70 HRRRMGMRP 0.39
71 KRRPKGMRP 0.39
72 RRRPMFMKP 0.39
73 HRRKLGMRP 0.4
74 RRRKMGMRP 0.4
75 RRRKMGMKP 0.4
76 KRRPLFMRP 0.4
77 KRRRMGMRP 0.4
78 RRRPMPMFP 0.4
79 RYRPMPMRP 0.41
80 HYRPLPMRP 0.41
81 HRRKLGMKP 0.41
82 KRRPLFMKP 0.41
83 KRRRMGMKP 0.41
84 HRRPLPMFP 0.41
85 RYRPMPMKP 0.41
86 HYRPLPMKP 0.42
87 KRRPLPMFP 0.42
88 KRRKLGMRP 0.42
89 KRRKLGMKP 0.42
90 KYRPLPMKP 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRPMPMRP

1.99

-9.6

-7.61
2 RRRPMGMKP

1.89

-9.26

-7.37
3 HRRPMPMKP

1.71

-8.87

-7.16
4 KRRPMGMRP

1.83

-8.96

-7.13
5 HYRPMGMRP

1.74

-8.73

-6.99
6 RRRPLGMRP

2.06

-8.99

-6.93
7 HRRPMGMKP

1.8

-8.64

-6.84
8 KRRPMPMKP

1.81

-8.57

-6.76
9 KYRPMGMKP

1.71

-8.4

-6.69
10 HRRPLGMKP

2.11

-8.68

-6.57
11 HRRPMGMRP

2.08

-8.58

-6.5
12 KRRPLGMRP

2.12

-8.56

-6.44
13 KRRPLPMRP

2.06

-8.49

-6.43
14 KRRPLGMKP

2.0

-8.41

-6.41
15 KRRPLPMKP

1.93

-8.27

-6.34
16 HYRPLGMRP

1.83

-8.06

-6.23
17 KRRPMGMFP

2.12

-8.29

-6.17
18 HRRPMPMRP

2.02

-8.11

-6.09
19 KYRPMGMRP

1.81

-7.84

-6.03
20 HRRPLPMRP

1.95

-7.78

-5.83
21 HRRPLPMKP

1.83

-7.62

-5.79
22 HYRPMGMKP

1.78

-7.49

-5.71
23 RRRPMPMKP

1.81

-7.5

-5.69
24 KRRPMGMKP

1.96

-7.43

-5.47
25 RRRPMGMRP

2.92

-8.37

-5.45
26 RRRPMPMRP

2.69

-7.9

-5.21
27 RRRPMGMFP

1.85

-6.87

-5.02
28 RRRPLGMKP

1.84

-6.78

-4.94
29 HRRPLGMRP

2.37

-7.06

-4.69
30 HRRPMGMFP

2.09

-6.29

-4.2

 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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