Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-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 1.835 ΔGbinding -2.435
TOTAL
 -0.600
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.358
Van der Waals -3.437 Backbone clash -0.000
Electrostatics -0.017 Helix dipole 0.000
Solvation Polar 3.438 Water bridges -0.005
Solvation Hyd -5.081 Disulfide 0.000
VdW clashes 0.031 Electrost. Kon -0.103
Entropy sc 0.202 Part.cov.bonds 0.000
Entropy mc

2.179

 ΔGstability

24.155
       

Predicted ligand sequences for model [NBP2_1SEM-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).
 
  NBP2_1SEM-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYRFRPPRWH 0.0
2 HYRFRPRRWH 0.02
3 HYRMRPPRWH 0.04
4 HYRFRPPRWR 0.05
5 HYRMRPRRWH 0.06
6 HYRFRPRRWR 0.07
7 KYRFRPPRWH 0.08
8 HYRFRPPFWH 0.09
9 HYRMRPPRWR 0.09
10 HYRFRPHRWH 0.09
11 RYRFRPPRWH 0.09
12 HYRFKPPRWH 0.09
13 KYRFRPRRWH 0.1
14 RYRFRPRRWH 0.11
15 HYRPRPPRWH 0.11
16 HYRFKPRRWH 0.11
17 HYRFRPRFWH 0.11
18 HYRMRPRRWR 0.11
19 KYRFRPPRWR 0.12
20 KYRMRPPRWH 0.12
21 HYRMRPHRWH 0.13
22 HYRMKPPRWH 0.13
23 HYRPRPRRWH 0.13
24 HYRMRPPFWH 0.13
25 HYRFRPHRWR 0.14
26 RYRMRPPRWH 0.14
27 HYRFRPPFWR 0.14
28 KYRFRPRRWR 0.14
29 RYRFRPPRWR 0.14
30 KYRMRPRRWH 0.14
31 HYRFKPPRWR 0.14
32 HYRMKPRRWH 0.15
33 HYRFRPRFWR 0.15
34 HYRMRPRFWH 0.15
35 RYRFRPRRWR 0.16
36 KYRFRPHRWH 0.16
37 HYRFKPRRWR 0.16
38 RYRMRPRRWH 0.16
39 KYRFRPPFWH 0.16
40 KYRFKPPRWH 0.16
41 HYRPRPPRWR 0.16
42 HYRFRPHFWH 0.17
43 KYRMRPPRWR 0.17
44 RYRMRPPRWR 0.18
45 HYRMRPHRWR 0.18
46 KYRFKPRRWH 0.18
47 RYRFRPPFWH 0.18
48 HYRFKPHRWH 0.18
49 HYRFKPPFWH 0.18
50 HYRMKPPRWR 0.18
51 RYRFRPHRWH 0.18
52 RYRFKPPRWH 0.18
53 HYRPRPRRWR 0.18
54 HYRMRPPFWR 0.18
55 KYRFRPRFWH 0.18
56 KYRMRPRRWR 0.19
57 KYRPRPPRWH 0.19
58 HYRMKPRRWR 0.2
59 HKRFRPPRWH 0.2
60 HYRFKPRFWH 0.2
61 RYRMRPRRWR 0.2
62 RYRFKPRRWH 0.2
63 HYRPRPPFWH 0.2
64 HYRMRPRFWR 0.2
65 HYRPKPPRWH 0.2
66 RYRPRPPRWH 0.2
67 RYRFRPRFWH 0.2
68 HYRPRPHRWH 0.2
69 KYRPRPRRWH 0.21
70 KYRFRPHRWR 0.21
71 KYRMRPPFWH 0.21
72 KYRMKPPRWH 0.21
73 KYRMRPHRWH 0.21
74 KYRFRPPFWR 0.21
75 KYRFKPPRWR 0.21
76 HYRFRPPRWF 0.22
77 HYRMKPHRWH 0.22
78 HYRFRPHFWR 0.22
79 RYRPRPRRWH 0.22
80 HYRMKPPFWH 0.22
81 HYRFKPHRWR 0.22
82 RYRMRPPFWH 0.22
83 HYRFKPPFWR 0.22
84 HYRPKPRRWH 0.22
85 RYRMRPHRWH 0.22
86 HYRMRPHFWH 0.22
87 HYRPRPRFWH 0.22
88 HKRFRPRRWH 0.22
89 KYRMKPRRWH 0.23
90 KYRFKPRRWR 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HYRFRPPRWH

2.48

-17.5

-15.02
2 RYRFRPRRWH

2.77

-17.61

-14.84
3 HYRFRPRRWR

2.41

-16.95

-14.54
4 RYRFRPPRWH

2.39

-16.9

-14.51
5 HYRMRPHRWH

2.58

-16.25

-13.67
6 HYRPRPPRWH

2.36

-15.92

-13.56
7 HYRMRPRRWR

2.47

-15.93

-13.46
8 KYRFRPPRWR

2.33

-15.69

-13.36
9 HYRFRPPFWH

1.7

-15.01

-13.31
10 KYRFRPRRWR

2.63

-15.75

-13.12
11 HYRPRPRRWH

3.03

-16.14

-13.11
12 HYRFRPPRWR

2.21

-15.13

-12.92
13 KYRFRPPRWH

2.31

-15.18

-12.87
14 RYRMRPPRWH

2.28

-15.09

-12.81
15 HYRFRPRFWH

2.01

-14.75

-12.74
16 KYRMRPPRWH

2.31

-14.93

-12.62
17 RYRFRPPRWR

2.73

-15.24

-12.51
18 HYRMRPPRWR

2.43

-14.91

-12.48
19 HYRFRPHRWR

2.81

-15.2

-12.39
20 HYRMRPPFWH

1.9

-14.15

-12.25
21 HYRMRPPRWH

2.65

-14.42

-11.77
22 HYRFRPHRWH

2.67

-14.42

-11.75
23 HYRFRPRRWH

3.31

-15.0

-11.69
24 HYRFKPRRWH

2.31

-13.98

-11.67
25 HYRFRPPFWR

2.69

-14.32

-11.63
26 HYRMKPPRWH

2.05

-13.58

-11.53
27 KYRMRPRRWH

2.28

-13.78

-11.5
28 KYRFRPRRWH

2.33

-13.72

-11.39
29 HYRFKPPRWH

3.06

-14.38

-11.32
30 HYRMRPRRWH

3.08

-13.57

-10.49

 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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