Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-5.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
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 4.685 ΔGbinding 4.035
TOTAL
 8.720
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 2.086
Van der Waals -5.163 Backbone clash 0.112
Electrostatics 0.128 Helix dipole 0.000
Solvation Polar 4.397 Water bridges 0.000
Solvation Hyd -8.309 Disulfide 0.000
VdW clashes 7.916 Electrost. Kon 0.179
Entropy sc 0.740 Part.cov.bonds 0.000
Entropy mc

3.335

 ΔGstability

45.692
       

Predicted ligand sequences for model [NBP2_1GCQ-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 MIWRPPRNHW 0.0
2 MIFRPPRNHW 0.03
3 MINRPPRNHW 0.11
4 MIWRPPRHHW 0.12
5 MIWRRPRNHW 0.14
6 MIFRPPRHHW 0.15
7 MIFRRPRNHW 0.17
8 MIWRPPRPHW 0.18
9 FIWRPPRNHW 0.18
10 FIFRPPRNHW 0.21
11 MIFRPPRPHW 0.21
12 MINRPPRHHW 0.22
13 MINRRPRNHW 0.24
14 MIWRRPRHHW 0.25
15 MIFRRPRHHW 0.28
16 MINRPPRPHW 0.29
17 FINRPPRNHW 0.29
18 FIWRPPRHHW 0.3
19 MIWRRPRPHW 0.31
20 FIWRRPRNHW 0.32
21 FIFRPPRHHW 0.33
22 MIWRKPRNHW 0.33
23 FIFRRPRNHW 0.35
24 MIFRRPRPHW 0.35
25 FIWRPPRPHW 0.36
26 MIFRKPRNHW 0.36
27 MINRRPRHHW 0.36
28 YIWRPPRNHW 0.37
29 FIFRPPRPHW 0.39
30 MIWRPPRNHF 0.39
31 YIFRPPRNHW 0.4
32 FINRPPRHHW 0.4
33 MIFRPPRNHF 0.42
34 MINRRPRPHW 0.42
35 FINRRPRNHW 0.42
36 MIWKPPRNHW 0.43
37 MINRKPRNHW 0.43
38 FIWRRPRHHW 0.43
39 MIWRKPRHHW 0.44
40 FIFRRPRHHW 0.46
41 FINRPPRPHW 0.47
42 MIFKPPRNHW 0.47
43 MVWRPPRNHW 0.48
44 YINRPPRNHW 0.48
45 MIFRKPRHHW 0.48
46 FIWRRPRPHW 0.49
47 MINRPPRNHF 0.49
48 YIWRPPRHHW 0.49
49 MIWRPPRHHF 0.5
50 MVFRPPRNHW 0.51
51 YIWRRPRNHW 0.51
52 FIWRKPRNHW 0.51
53 MIWRKPRPHW 0.51
54 YIFRPPRHHW 0.52
55 MIWRRPRNHF 0.52
56 FIFRRPRPHW 0.53
57 MIFRPPRHHF 0.53
58 MINKPPRNHW 0.54
59 FINRRPRHHW 0.54
60 MIFRKPRPHW 0.54
61 FIFRKPRNHW 0.54
62 YIFRRPRNHW 0.54
63 MINRKPRHHW 0.55
64 MIWKPPRHHW 0.55
65 MIFRRPRNHF 0.55
66 YIWRPPRPHW 0.55
67 MIWRPPRPHF 0.56
68 FIWRPPRNHF 0.57
69 MIWKRPRNHW 0.57
70 MIFKPPRHHW 0.58
71 MVNRPPRNHW 0.58
72 YIFRPPRPHW 0.58
73 MVWRPPRHHW 0.59
74 YINRPPRHHW 0.59
75 FINRRPRPHW 0.6
76 MIFKRPRNHW 0.6
77 FIFRPPRNHF 0.6
78 MIFRPPRPHF 0.6
79 YINRRPRNHW 0.61
80 MIWKPPRPHW 0.61
81 FIWKPPRNHW 0.61
82 MINRKPRPHW 0.61
83 FINRKPRNHW 0.61
84 MINRPPRHHF 0.61
85 MVWRRPRNHW 0.61
86 MVFRPPRHHW 0.62
87 FIWRKPRHHW 0.62
88 YIWRRPRHHW 0.62
89 MINRRPRNHF 0.63
90 MVFRRPRNHW 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FINRPPRNHW

3.8

-13.62

-9.82
2 MIWRKPRNHW

4.9

-14.71

-9.81
3 FIFRPPRHHW

3.72

-13.5

-9.78
4 MIWRPPRHHW

3.76

-13.48

-9.72
5 MIFRRPRPHW

4.12

-13.8

-9.68
6 MIWRPPRNHW

4.32

-13.99

-9.67
7 MINRPPRHHW

3.98

-13.61

-9.63
8 FIFRRPRNHW

3.73

-13.35

-9.62
9 MIWRPPRPHW

4.51

-13.91

-9.4
10 FIFRPPRPHW

4.49

-13.82

-9.33
11 MIFRPPRNHW

3.61

-12.85

-9.24
12 MIWRRPRNHW

3.91

-13.1

-9.19
13 MIWRRPRHHW

4.61

-13.73

-9.12
14 FIWRPPRHHW

3.97

-13.0

-9.03
15 MIWRRPRPHW

4.81

-13.78

-8.97
16 FIWRPPRNHW

4.26

-13.16

-8.9
17 FIWRPPRPHW

4.3

-13.2

-8.9
18 MINRPPRNHW

3.8

-12.67

-8.87
19 MIFRPPRHHW

3.68

-12.54

-8.86
20 MIFRRPRNHW

3.82

-12.66

-8.84
21 MIWRPPRNHF

4.67

-13.4

-8.73
22 MINRRPRHHW

4.6

-13.28

-8.68
23 FIWRRPRNHW

4.83

-13.34

-8.51
24 FIFRPPRNHW

3.62

-12.07

-8.45
25 MIFRPPRPHW

3.79

-12.05

-8.26
26 MIFRKPRNHW

3.65

-11.76

-8.11
27 YIWRPPRNHW

4.42

-12.52

-8.1
28 MINRRPRNHW

3.82

-11.91

-8.09
29 MINRPPRPHW

3.63

-11.66

-8.03
30 MIFRRPRHHW

4.95

-12.75

-7.8

 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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