Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-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 0.995 ΔGbinding -0.620
TOTAL
 0.375
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.768
Van der Waals -3.572 Backbone clash 0.068
Electrostatics 0.027 Helix dipole 0.000
Solvation Polar 3.356 Water bridges 0.000
Solvation Hyd -5.360 Disulfide 0.000
VdW clashes 1.925 Electrost. Kon -0.006
Entropy sc 0.173 Part.cov.bonds 0.000
Entropy mc

2.069

 ΔGstability

34.428
       

Predicted ligand sequences for model [NBP2_1GCQ-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_1GCQ-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRKPRRP 0.0
2 RPRKPRRM 0.11
3 RPRKPRRK 0.12
4 RPRKPRRR 0.17
5 RPRMPRRP 0.19
6 RPRKPPRP 0.21
7 RPRRPRRP 0.24
8 RKRKPRRP 0.25
9 RPRMPRRM 0.3
10 RPRMPRRK 0.32
11 RPRKPPRM 0.32
12 RPRKPPRK 0.33
13 RPRRPRRM 0.35
14 RKRKPRRM 0.36
15 RPRRPRRK 0.36
16 RPRMPRRR 0.36
17 RKRKPRRK 0.37
18 RPRKPPRR 0.38
19 RPRRPRRR 0.4
20 RPRMPPRP 0.4
21 RKRKPRRR 0.41
22 RPRRPPRP 0.44
23 RKRMPRRP 0.44
24 RRRKPRRP 0.45
25 RKRKPPRP 0.45
26 RPRKPSRP 0.46
27 RKRRPRRP 0.48
28 RPRMPPRM 0.51
29 RPRMPPRK 0.53
30 RKRMPRRM 0.55
31 RRRKPRRM 0.56
32 RPRRPPRM 0.56
33 RKRMPRRK 0.56
34 RRRKPRRK 0.57
35 RPRRPPRK 0.57
36 RPRKPSRM 0.57
37 RKRKPPRM 0.57
38 RPRMPPRR 0.57
39 RPRKPSRK 0.58
40 RKRKPPRK 0.58
41 RKRRPRRM 0.59
42 RKRRPRRK 0.61
43 RPRRPPRR 0.61
44 RKRMPRRR 0.61
45 RRRKPRRR 0.62
46 RPRKPSRR 0.62
47 RKRKPPRR 0.62
48 RRRMPRRP 0.64
49 RKRRPRRR 0.65
50 RPRMPSRP 0.65
51 RKRMPPRP 0.65
52 RRRKPPRP 0.66
53 RRRRPRRP 0.69
54 RKRRPPRP 0.69
55 RPRRPSRP 0.7
56 RKRKPSRP 0.71
57 RRRMPRRM 0.75
58 RPRMPSRM 0.76
59 RKRMPPRM 0.76
60 RRRKPPRM 0.77
61 RRRMPRRK 0.77
62 RKRMPPRK 0.77
63 RRRKPPRK 0.78
64 RPRMPSRK 0.78
65 RKRRPPRM 0.8
66 RRRRPRRM 0.8
67 RRRMPRRR 0.81
68 RRRRPRRK 0.81
69 RKRMPPRR 0.81
70 RPRRPSRM 0.81
71 RKRKPSRM 0.82
72 RRRKPPRR 0.82
73 RPRMPSRR 0.82
74 RKRRPPRK 0.82
75 RPRRPSRK 0.82
76 RKRKPSRK 0.83
77 RRRMPPRP 0.85
78 RRRRPRRR 0.85
79 RKRRPPRR 0.86
80 RPRRPSRR 0.86
81 RKRKPSRR 0.87
82 RRRRPPRP 0.89
83 RKRMPSRP 0.9
84 RRRKPSRP 0.91
85 RKRRPSRP 0.94
86 RRRMPPRM 0.96
87 RRRMPPRK 0.97
88 RRRRPPRM 1.0
89 RKRMPSRM 1.01
90 RKRMPSRK 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRKPRRR

1.17

-12.34

-11.17
2 RPRRPRRM

1.91

-13.0

-11.09
3 RPRMPPRK

1.15

-12.08

-10.93
4 RPRRPRRP

0.85

-11.76

-10.91
5 RPRRPRRR

1.09

-11.86

-10.77
6 RPRMPRRP

0.81

-11.49

-10.68
7 RPRKPRRP

0.99

-11.51

-10.52
8 RPRRPRRK

1.47

-11.76

-10.29
9 RPRKPPRM

0.98

-11.2

-10.22
10 RPRKPRRM

1.68

-11.67

-9.99
11 RPRKPSRP

0.91

-10.9

-9.99
12 RPRKPPRK

1.85

-11.84

-9.99
13 RRRKPRRP

1.77

-11.74

-9.97
14 RPRMPPRP

0.92

-10.84

-9.92
15 RPRMPPRM

1.34

-11.23

-9.89
16 RPRMPRRK

0.91

-10.77

-9.86
17 RPRRPPRP

1.92

-11.37

-9.45
18 RKRKPRRK

1.24

-10.58

-9.34
19 RKRKPRRP

1.38

-10.54

-9.16
20 RPRKPPRP

1.49

-10.55

-9.06
21 RPRMPRRR

1.52

-10.51

-8.99
22 RKRKPRRR

2.34

-11.23

-8.89
23 RPRKPRRK

1.7

-10.53

-8.83
24 RKRKPRRM

2.29

-11.02

-8.73
25 RKRRPRRP

1.41

-10.04

-8.63
26 RKRKPPRP

1.35

-9.93

-8.58
27 RPRKPPRR

1.88

-10.3

-8.42
28 RKRMPRRP

1.14

-9.51

-8.37
29 RKRMPRRM

1.75

-9.75

-8.0
30 RPRMPRRM

1.54

-9.25

-7.71

 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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