Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 0.940 ΔGbinding -1.726
TOTAL
 -0.786
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.643
Van der Waals -3.174 Backbone clash 0.002
Electrostatics 0.143 Helix dipole 0.000
Solvation Polar 2.953 Water bridges 0.000
Solvation Hyd -4.876 Disulfide 0.000
VdW clashes 0.000 Electrost. Kon 0.088
Entropy sc 0.204 Part.cov.bonds 0.000
Entropy mc

2.294

 ΔGstability

33.629
       

Predicted ligand sequences for model [NBP2_1GCQ-11.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-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKRHPH 0.0
2 RRPRHPH 0.02
3 RRKRHGH 0.1
4 RRPRHGH 0.12
5 YRKRHPH 0.14
6 RRKRHRH 0.15
7 YRPRHPH 0.16
8 RRRRHPH 0.16
9 RRPRHRH 0.17
10 RRKRPPH 0.2
11 RRPRPPH 0.22
12 YRKRHGH 0.24
13 YRPRHGH 0.26
14 RRRRHGH 0.26
15 YRKRHRH 0.29
16 YRRRHPH 0.3
17 YRPRHRH 0.3
18 RRKRPGH 0.3
19 RRKRIPH 0.31
20 RRRRHRH 0.31
21 RRPRPGH 0.32
22 YRKRPPH 0.33
23 RRPRIPH 0.33
24 RRKRHPN 0.34
25 RRKRPRH 0.35
26 YRPRPPH 0.35
27 RRRRPPH 0.36
28 RRPRHPN 0.36
29 RRPRPRH 0.37
30 YRRRHGH 0.4
31 RRKRIGH 0.41
32 RRPRIGH 0.43
33 YRKRPGH 0.43
34 RRKRHGN 0.44
35 YRRRHRH 0.45
36 YRKRIPH 0.45
37 YRPRPGH 0.45
38 RRRRPGH 0.46
39 RRKRIRH 0.46
40 RRPRHGN 0.46
41 RRRRIPH 0.47
42 YRPRIPH 0.47
43 YRKRHPN 0.48
44 RRPRIRH 0.48
45 YRKRPRH 0.48
46 YRRRPPH 0.49
47 RRKRHRN 0.49
48 YRPRPRH 0.5
49 YRPRHPN 0.5
50 RRPRHRN 0.51
51 RRRRPRH 0.51
52 RRRRHPN 0.51
53 RRKRPPN 0.54
54 YRKRIGH 0.55
55 RRPRPPN 0.56
56 RRRRIGH 0.57
57 YRPRIGH 0.57
58 YRKRHGN 0.58
59 YRRRPGH 0.59
60 YRKRIRH 0.59
61 YRPRHGN 0.6
62 RRRRHGN 0.6
63 YRRRIPH 0.61
64 YRPRIRH 0.61
65 RRRRIRH 0.62
66 YRKRHRN 0.63
67 YRRRHPN 0.64
68 RRKRPGN 0.64
69 YRRRPRH 0.64
70 YRPRHRN 0.65
71 RRKRIPN 0.65
72 RRRRHRN 0.65
73 RRPRPGN 0.66
74 RRPRIPN 0.67
75 YRKRPPN 0.68
76 RRKRPRN 0.69
77 RRRRPPN 0.7
78 YRPRPPN 0.7
79 RRPRPRN 0.71
80 YRRRIGH 0.71
81 YRRRHGN 0.74
82 RRKRIGN 0.75
83 YRRRIRH 0.76
84 RRPRIGN 0.77
85 YRKRPGN 0.78
86 YRRRHRN 0.79
87 YRKRIPN 0.79
88 RRRRPGN 0.8
89 RRKRIRN 0.8
90 YRPRPGN 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKRPGH

1.16

-13.01

-11.85
2 RRRRPPH

1.18

-12.4

-11.22
3 RRKRPRH

1.12

-12.24

-11.12
4 RRKRPPH

1.13

-11.31

-10.18
5 RRRRHPH

1.71

-11.67

-9.96
6 RRPRHGH

1.45

-10.99

-9.54
7 RRKRHGH

2.19

-11.09

-8.9
8 RRPRPGH

1.01

-9.48

-8.47
9 RRRRHRH

1.72

-9.93

-8.21
10 RRPRHPH

2.55

-10.57

-8.02
11 RRPRIPH

2.61

-10.61

-8.0
12 YRKRHPH

2.45

-10.23

-7.78
13 RRRRHGH

1.87

-9.4

-7.53
14 YRKRHGH

1.37

-8.85

-7.48
15 RRPRHRH

3.19

-10.66

-7.47
16 RRKRHPN

1.87

-9.3

-7.43
17 RRPRPRH

1.18

-8.42

-7.24
18 RRKRHPH

2.27

-9.46

-7.19
19 RRPRPPH

1.03

-7.93

-6.9
20 YRKRHRH

1.56

-8.31

-6.75
21 RRKRIPH

2.75

-9.47

-6.72
22 YRKRPPH

1.08

-7.69

-6.61
23 YRRRHGH

1.45

-7.69

-6.24
24 RRPRHPN

3.57

-9.81

-6.24
25 YRPRPPH

0.7

-6.71

-6.01
26 YRPRHRH

1.91

-7.86

-5.95
27 YRRRHPH

1.45

-6.2

-4.75
28 RRKRHRH

2.3

-6.76

-4.46
29 YRPRHPH

1.58

-5.15

-3.57
30 YRPRHGH

1.63

-5.17

-3.54

 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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