Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-13.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 1.000 ΔGbinding -1.714
TOTAL
 -0.714
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.446
Van der Waals -2.706 Backbone clash 0.044
Electrostatics 0.091 Helix dipole 0.000
Solvation Polar 2.343 Water bridges -0.000
Solvation Hyd -4.133 Disulfide 0.000
VdW clashes 0.023 Electrost. Kon 0.071
Entropy sc 0.146 Part.cov.bonds 0.000
Entropy mc

2.006

 ΔGstability

32.732
       

Predicted ligand sequences for model [NBP2_1GCQ-13.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_1GCQ-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRFPRW 0.0
2 RPRRFPRW 0.1
3 RRFRFPRW 0.14
4 RRRRFRRW 0.16
5 RRKRFPRW 0.16
6 RRHRFPRW 0.23
7 RRRRFFRW 0.23
8 RPFRFPRW 0.24
9 RPKRFPRW 0.25
10 RPRRFRRW 0.25
11 RRRRFLRW 0.26
12 RRFRFRRW 0.3
13 RRKRFRRW 0.31
14 RHRRFPRW 0.32
15 RPHRFPRW 0.33
16 RPRRFFRW 0.33
17 RPRRFLRW 0.36
18 RRFRFFRW 0.38
19 RRKRFFRW 0.39
20 RRHRFRRW 0.39
21 RRFRFLRW 0.4
22 RPFRFRRW 0.4
23 RPKRFRRW 0.41
24 RRKRFLRW 0.42
25 RRRRYPRW 0.46
26 RRHRFFRW 0.47
27 RHFRFPRW 0.47
28 RPFRFFRW 0.47
29 RPHRFRRW 0.48
30 RHRRFRRW 0.48
31 RHKRFPRW 0.48
32 RPKRFFRW 0.49
33 RRHRFLRW 0.49
34 RPFRFLRW 0.5
35 RPKRFLRW 0.51
36 RPHRFFRW 0.56
37 RHHRFPRW 0.56
38 RPRRYPRW 0.56
39 RHRRFFRW 0.56
40 RHRRFLRW 0.58
41 RPHRFLRW 0.59
42 RRFRYPRW 0.6
43 RRRRYRRW 0.62
44 RRKRYPRW 0.62
45 RHFRFRRW 0.62
46 RHKRFRRW 0.64
47 RRRRYFRW 0.7
48 RHFRFFRW 0.7
49 RPFRYPRW 0.7
50 RRHRYPRW 0.7
51 RPRRYRRW 0.71
52 RHKRFFRW 0.71
53 RHHRFRRW 0.71
54 RRRRYLRW 0.72
55 RPKRYPRW 0.72
56 RHFRFLRW 0.73
57 RHKRFLRW 0.74
58 RRFRYRRW 0.76
59 RRKRYRRW 0.78
60 RHHRFFRW 0.79
61 RHRRYPRW 0.79
62 RPHRYPRW 0.79
63 RPRRYFRW 0.79
64 RHHRFLRW 0.82
65 RPRRYLRW 0.82
66 RRFRYFRW 0.84
67 RRKRYFRW 0.85
68 RRHRYRRW 0.85
69 RPFRYRRW 0.86
70 RRFRYLRW 0.87
71 RPKRYRRW 0.87
72 RRKRYLRW 0.88
73 RHFRYPRW 0.93
74 RRHRYFRW 0.93
75 RHKRYPRW 0.94
76 RHRRYRRW 0.94
77 RPFRYFRW 0.94
78 RPHRYRRW 0.95
79 RPKRYFRW 0.95
80 RRHRYLRW 0.96
81 RPFRYLRW 0.96
82 RPKRYLRW 0.98
83 RHHRYPRW 1.02
84 RHRRYFRW 1.02
85 RPHRYFRW 1.03
86 RHRRYLRW 1.05
87 RPHRYLRW 1.05
88 RHFRYRRW 1.08
89 RHKRYRRW 1.1
90 RHFRYFRW 1.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRHRFFRW

2.28

-16.67

-14.39
2 RPKRFPRW

1.72

-16.09

-14.37
3 RRKRFPRW

1.76

-16.03

-14.27
4 RPRRFLRW

2.67

-16.83

-14.16
5 RHFRFPRW

2.57

-16.67

-14.1
6 RRRRFRRW

2.71

-15.93

-13.22
7 RPHRFPRW

1.43

-14.45

-13.02
8 RRFRFFRW

2.08

-14.88

-12.8
9 RRRRFLRW

2.04

-14.81

-12.77
10 RRFRFPRW

3.06

-15.79

-12.73
11 RRRRFPRW

2.35

-14.94

-12.59
12 RRKRFRRW

2.22

-14.6

-12.38
13 RRFRFLRW

2.86

-15.08

-12.22
14 RPFRFPRW

1.59

-13.28

-11.69
15 RHRRFPRW

3.84

-15.33

-11.49
16 RHRRFRRW

2.88

-14.32

-11.44
17 RPHRFRRW

1.49

-12.91

-11.42
18 RRHRFPRW

2.46

-13.86

-11.4
19 RPRRFRRW

2.33

-13.57

-11.24
20 RPRRFFRW

2.05

-13.28

-11.23
21 RRFRFRRW

4.49

-15.5

-11.01
22 RPFRFFRW

2.27

-13.03

-10.76
23 RRHRFRRW

3.77

-14.37

-10.6
24 RRRRFFRW

2.79

-13.21

-10.42
25 RRRRYPRW

1.93

-12.24

-10.31
26 RPKRFRRW

1.7

-11.97

-10.27
27 RRKRFLRW

1.66

-11.89

-10.23
28 RPRRFPRW

3.32

-13.49

-10.17
29 RPFRFRRW

2.75

-12.11

-9.36
30 RRKRFFRW

2.52

-11.6

-9.08

 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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