Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-9.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
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 0.288 ΔGbinding -2.077
TOTAL
 -1.789
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.370
Van der Waals -3.447 Backbone clash 0.017
Electrostatics -0.115 Helix dipole 0.000
Solvation Polar 3.551 Water bridges -0.080
Solvation Hyd -4.949 Disulfide 0.000
VdW clashes 0.448 Electrost. Kon -0.196
Entropy sc 0.533 Part.cov.bonds 0.000
Entropy mc

3.085

 ΔGstability

14.857
       

Predicted ligand sequences for model [NBP2_1YN8-9.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_1YN8-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFRPFRH 0.0
2 RRFRPFMH 0.04
3 RRYRPFRH 0.09
4 RRFRPFKH 0.11
5 RRYRPFMH 0.13
6 RRYRPFKH 0.21
7 RRPRPFRH 0.23
8 RRPRPFMH 0.27
9 RRWRPFRH 0.28
10 RRWRPFMH 0.32
11 RRFIPFRH 0.33
12 RRPRPFKH 0.34
13 RRFRPFFH 0.35
14 RRFIPFMH 0.37
15 RRWRPFKH 0.39
16 RRFRPYRH 0.4
17 RRFRPWRH 0.4
18 RRYIPFRH 0.42
19 RRFRPLRH 0.43
20 RRFRPYMH 0.43
21 RRFIPFKH 0.44
22 RRYRPFFH 0.44
23 RRFRPWMH 0.44
24 RRYIPFMH 0.46
25 RRFRPLMH 0.46
26 RRYRPYRH 0.49
27 RRYRPWRH 0.5
28 RRFRPYKH 0.51
29 RRYRPLRH 0.52
30 RRFRPWKH 0.52
31 RRYRPWMH 0.53
32 RRYRPYMH 0.53
33 RRFRPLKH 0.54
34 RRYIPFKH 0.54
35 RRPIPFRH 0.56
36 RRYRPLMH 0.56
37 RRPRPFFH 0.57
38 RRPIPFMH 0.59
39 RRYRPYKH 0.6
40 RRYRPWKH 0.61
41 RRWIPFRH 0.61
42 RRPRPYRH 0.62
43 RRYRPLKH 0.63
44 RRPRPWRH 0.63
45 RRWRPFFH 0.63
46 RRPRPLRH 0.65
47 RRWIPFMH 0.65
48 RRPRPYMH 0.66
49 RRPIPFKH 0.67
50 RRPRPWMH 0.67
51 RRWRPWRH 0.68
52 RRWRPYRH 0.68
53 RRFIPFFH 0.68
54 RRPRPLMH 0.69
55 RRWRPLRH 0.71
56 RRWRPYMH 0.72
57 RRWRPWMH 0.72
58 RRWIPFKH 0.72
59 RRFIPYRH 0.73
60 RRFIPWRH 0.73
61 RRWRPLMH 0.74
62 RRPRPYKH 0.74
63 RRFRPYFH 0.74
64 RRPRPWKH 0.74
65 RRFRPWFH 0.75
66 RRFIPYMH 0.76
67 RRFIPLRH 0.76
68 RRYIPFFH 0.77
69 RRFRPLFH 0.77
70 RRPRPLKH 0.77
71 RRFIPWMH 0.77
72 RRFIPLMH 0.79
73 RRWRPYKH 0.79
74 RRWRPWKH 0.8
75 RRWRPLKH 0.82
76 RRYIPYRH 0.82
77 RRYIPWRH 0.83
78 RRFIPYKH 0.84
79 RRFIPWKH 0.84
80 RRYRPWFH 0.84
81 RRYRPYFH 0.84
82 RRYIPLRH 0.85
83 RRYIPYMH 0.86
84 RRYIPWMH 0.86
85 RRFIPLKH 0.87
86 RRYRPLFH 0.87
87 RRYIPLMH 0.89
88 RRPIPFFH 0.9
89 RRYIPYKH 0.93
90 RRYIPWKH 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPRPFRH

2.54

-11.93

-9.39
2 RRYRPFMH

3.76

-12.47

-8.71
3 RRYRPFKH

2.97

-11.3

-8.33
4 RRYRPFRH

2.64

-10.91

-8.27
5 RRFRPLRH

3.41

-11.63

-8.22
6 RRYRPWRH

3.54

-11.74

-8.2
7 RRFRPWMH

2.62

-10.79

-8.17
8 RRFRPFMH

2.62

-10.76

-8.14
9 RRWRPFRH

3.5

-11.45

-7.95
10 RRYIPFMH

2.04

-9.76

-7.72
11 RRFRPYRH

3.5

-11.06

-7.56
12 RRFIPFRH

1.68

-9.17

-7.49
13 RRYRPFFH

3.43

-10.9

-7.47
14 RRWRPFKH

2.48

-9.73

-7.25
15 RRFIPFKH

1.84

-9.09

-7.25
16 RRFRPFRH

2.41

-9.62

-7.21
17 RRWRPFMH

3.8

-11.0

-7.2
18 RRYRPYRH

3.91

-11.11

-7.2
19 RRFRPWKH

3.4

-10.58

-7.18
20 RRFRPWRH

3.95

-11.01

-7.06
21 RRPRPFKH

3.46

-10.49

-7.03
22 RRYRPLRH

3.76

-10.79

-7.03
23 RRYIPFRH

1.86

-8.63

-6.77
24 RRFRPFFH

3.26

-9.44

-6.18
25 RRFIPFMH

2.02

-8.14

-6.12
26 RRFRPFKH

3.14

-9.19

-6.05
27 RRFRPLMH

3.86

-9.4

-5.54
28 RRFRPYKH

3.53

-9.03

-5.5
29 RRFRPYMH

3.48

-8.4

-4.92
30 RRPRPFMH

2.29

-6.37

-4.08

 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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