Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-10.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 0.291 ΔGbinding 5.527
TOTAL
 5.818
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.793
Van der Waals -3.717 Backbone clash 0.036
Electrostatics -0.035 Helix dipole 0.000
Solvation Polar 3.668 Water bridges 0.000
Solvation Hyd -5.344 Disulfide 0.000
VdW clashes 7.882 Electrost. Kon -0.077
Entropy sc 0.292 Part.cov.bonds 0.000
Entropy mc

2.065

 ΔGstability

23.834
       

Predicted ligand sequences for model [NBP2_1YN8-10.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_1YN8-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPIRGWWW 0.0
2 RPKRGWWW 0.0
3 RPIRGWFW 0.01
4 RPKRGWFW 0.01
5 RPHRGWWW 0.06
6 RKIRGWWW 0.07
7 RKIRGWFW 0.07
8 RPHRGWFW 0.07
9 RKKRGWWW 0.07
10 RKKRGWFW 0.08
11 RHKRGWWW 0.1
12 RHKRGWFW 0.1
13 RHIRGWFW 0.1
14 RHIRGWWW 0.1
15 RKHRGWWW 0.12
16 RKHRGWFW 0.13
17 RHHRGWWW 0.15
18 RHHRGWFW 0.16
19 RPIRGWWP 0.3
20 RPIRGWFP 0.3
21 RPKRGWWP 0.3
22 RPKRGWFP 0.31
23 RPHRGWWP 0.35
24 RKIRGWWP 0.36
25 RPHRGWFP 0.36
26 RKKRGWWP 0.36
27 RKIRGWFP 0.37
28 RKKRGWFP 0.37
29 RPIRGWHW 0.38
30 RPKRGWHW 0.38
31 RPIRGWWM 0.39
32 RHKRGWWP 0.39
33 RPKRGWWM 0.39
34 RHIRGWWP 0.39
35 RPIRGWFM 0.4
36 RHKRGWFP 0.4
37 RHIRGWFP 0.4
38 RPKRGWFM 0.4
39 RKHRGWWP 0.42
40 RKHRGWFP 0.43
41 RPHRGWHW 0.44
42 RHHRGWWP 0.45
43 RKIRGWWM 0.45
44 RPHRGWFM 0.45
45 RKIRGWHW 0.45
46 RKKRGWHW 0.45
47 RPHRGWWM 0.45
48 RKIRGWFM 0.46
49 RHHRGWFP 0.46
50 RKKRGWFM 0.46
51 RKKRGWWM 0.46
52 RPIRGMFW 0.47
53 RPIRGMWW 0.47
54 RPKRGMWW 0.47
55 RHIRGWHW 0.47
56 RHKRGWHW 0.48
57 RPKRGMFW 0.48
58 RHKRGWWM 0.48
59 RHIRGWWM 0.48
60 RHKRGWFM 0.49
61 RHIRGWFM 0.49
62 RKHRGWHW 0.5
63 RKHRGWWM 0.51
64 RKHRGWFM 0.52
65 RPHRGMWW 0.52
66 RHHRGWHW 0.53
67 RKIRGMWW 0.53
68 RPHRGMFW 0.53
69 RKKRGMWW 0.53
70 RHHRGWWM 0.54
71 RKIRGMFW 0.54
72 RKKRGMFW 0.54
73 RHHRGWFM 0.55
74 RHIRGMWW 0.56
75 RHKRGMWW 0.56
76 RHKRGMFW 0.57
77 RHIRGMFW 0.57
78 RKHRGMWW 0.59
79 RKHRGMFW 0.6
80 RHHRGMWW 0.62
81 RHHRGMFW 0.63
82 RPIRGWHP 0.68
83 RPKRGWHP 0.68
84 RPHRGWHP 0.73
85 RKKRGWHP 0.74
86 RKIRGWHP 0.74
87 RPIRGMWP 0.76
88 RHKRGWHP 0.77
89 RPIRGMFP 0.77
90 RPKRGWHM 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPHRGWFW

2.72

-10.79

-8.07
2 RPKRGWWW

2.78

-9.98

-7.2
3 RPKRGWFW

2.63

-9.67

-7.04
4 RPHRGWFP

2.59

-9.23

-6.64
5 RHIRGWFW

3.58

-10.09

-6.51
6 RPKRGWWP

2.41

-8.91

-6.5
7 RPHRGWWP

2.49

-8.96

-6.47
8 RKKRGWWW

3.13

-9.54

-6.41
9 RHKRGWWW

3.0

-9.29

-6.29
10 RKKRGWFW

3.16

-9.4

-6.24
11 RPKRGWHW

2.29

-8.32

-6.03
12 RPIRGWWP

3.03

-8.97

-5.94
13 RPIRGWFW

2.64

-8.58

-5.94
14 RHIRGWWW

2.92

-8.85

-5.93
15 RPKRGWFP

3.06

-8.67

-5.61
16 RHKRGWFW

3.11

-8.68

-5.57
17 RKIRGWWW

2.75

-8.24

-5.49
18 RKKRGWFP

3.73

-9.12

-5.39
19 RKHRGWWW

3.09

-8.43

-5.34
20 RKKRGWWP

3.04

-8.34

-5.3
21 RPIRGWHW

2.32

-7.47

-5.15
22 RKIRGWFW

2.97

-8.01

-5.04
23 RPHRGWWW

3.03

-7.96

-4.93
24 RPIRGWFP

2.7

-7.61

-4.91
25 RHHRGWWW

2.92

-7.7

-4.78
26 RHHRGWFW

3.05

-7.81

-4.76
27 RPIRGWWW

2.15

-6.9

-4.75
28 RKIRGWFP

3.56

-6.79

-3.23
29 RKIRGWWP

3.82

-6.86

-3.04
30 RKHRGWFW

3.13

-5.34

-2.21

 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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