Predicted ligand sequences


ADAN-name: 1NZV2.PDB (view again the scoring matrix)

PDB name: [1NZV.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q y I y V P A
position 1 2 3 4 5 6 7 8
poly-Ala A A
y
A
y
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 5.263 ΔGbinding -10.950
TOTAL
 -5.687
Backbone Hb -2.990 Cis_bond 0.000
Sidechain Hb -6.270 Torsional clash 0.090
Van der Waals -9.560 Backbone clash 1.680
Electrostatics -5.330 Helix dipole -0.240
Solvation Polar 16.020 Water bridges -1.180
Solvation Hyd -10.560 Disulfide 0.000
VdW clashes 1.340 Electrost. Kon -3.070
Entropy sc 6.150 Part.cov.bonds 0.000
Entropy mc

4.640

 ΔGstability

41.720
       

Predicted ligand sequences for template [1NZV2.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).
 
  1NZV2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PsyEyMGG 0.0
2 PDyEyMGG 0.01
3 ssyEyMGG 0.08
4 sDyEyMGG 0.09
5 PsyDyMGG 0.09
6 PDyDyMGG 0.1
7 PEyEyMGG 0.14
8 ssyDyMGG 0.17
9 sDyDyMGG 0.18
10 sEyEyMGG 0.23
11 PEyDyMGG 0.23
12 sEyDyMGG 0.31
13 EsyEyMGG 0.32
14 PGyEyMGG 0.33
15 EDyEyMGG 0.33
16 PsyEyMQG 0.34
17 PDyEyMQG 0.35
18 PsyEyMPG 0.37
19 PDyEyMPG 0.38
20 EsyDyMGG 0.41
21 PGyDyMGG 0.42
22 sGyEyMGG 0.42
23 ysyEyMGG 0.42
24 ssyEyMQG 0.42
25 EDyDyMGG 0.42
26 PsyDyMQG 0.43
27 sDyEyMQG 0.43
28 yDyEyMGG 0.43
29 PDyDyMQG 0.44
30 ssyEyMPG 0.45
31 PsyDyMPG 0.46
32 EEyEyMGG 0.46
33 sDyEyMPG 0.46
34 PDyDyMPG 0.47
35 PEyEyMQG 0.48
36 sGyDyMGG 0.5
37 ysyDyMGG 0.51
38 ssyDyMQG 0.51
39 PEyEyMPG 0.51
40 sDyDyMQG 0.52
41 yDyDyMGG 0.52
42 ssyDyMPG 0.54
43 EEyDyMGG 0.55
44 sDyDyMPG 0.55
45 yEyEyMGG 0.56
46 sEyEyMQG 0.56
47 PEyDyMQG 0.57
48 sEyEyMPG 0.59
49 PEyDyMPG 0.6
50 EGyEyMGG 0.65
51 sEyDyMQG 0.65
52 yEyDyMGG 0.65
53 EsyEyMQG 0.65
54 EDyEyMQG 0.67
55 PGyEyMQG 0.67
56 EsyEyMPG 0.68
57 sEyDyMPG 0.68
58 EDyEyMPG 0.7
59 PGyEyMPG 0.7
60 EsyDyMQG 0.74
61 EGyDyMGG 0.74
62 sGyEyMQG 0.75
63 yGyEyMGG 0.75
64 EDyDyMQG 0.76
65 ysyEyMQG 0.76
66 PGyDyMQG 0.76
67 yDyEyMQG 0.77
68 EsyDyMPG 0.77
69 sGyEyMPG 0.78
70 EDyDyMPG 0.78
71 ysyEyMPG 0.79
72 PGyDyMPG 0.79
73 yDyEyMPG 0.8
74 EEyEyMQG 0.8
75 EEyEyMPG 0.83
76 sGyDyMQG 0.84
77 yGyDyMGG 0.84
78 ysyDyMQG 0.85
79 yDyDyMQG 0.86
80 sGyDyMPG 0.87
81 ysyDyMPG 0.88
82 EEyDyMQG 0.89
83 yDyDyMPG 0.89
84 yEyEyMQG 0.9
85 EEyDyMPG 0.92
86 yEyEyMPG 0.93
87 EGyEyMQG 0.99
88 yEyDyMQG 0.99
89 EGyEyMPG 1.02
90 yEyDyMPG 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ssyEyMGG

4.28

-18.43

-14.15
2 EDyDyMGG

3.72

-17.2

-13.48
3 PGyEyMGG

3.17

-16.03

-12.86
4 sEyDyMGG

3.66

-16.48

-12.82
5 sDyEyMGG

3.83

-16.0

-12.17
6 sDyDyMGG

3.37

-15.53

-12.16
7 PsyDyMGG

4.55

-16.7

-12.15
8 sDyEyMQG

4.73

-16.42

-11.69
9 EsyDyMGG

3.35

-15.0

-11.65
10 yDyEyMGG

3.77

-15.41

-11.64
11 ssyEyMQG

3.6

-15.18

-11.58
12 sEyEyMGG

3.28

-14.79

-11.51
13 ssyEyMPG

3.2

-14.6

-11.4
14 EDyEyMGG

3.43

-14.7

-11.27
15 PDyDyMQG

3.97

-15.16

-11.19
16 ssyDyMGG

3.45

-14.62

-11.17
17 PsyDyMQG

3.89

-14.72

-10.83
18 sGyEyMGG

4.07

-14.67

-10.6
19 PEyEyMGG

3.14

-13.72

-10.58
20 PsyEyMGG

3.59

-13.98

-10.39
21 PDyEyMPG

3.68

-13.69

-10.01
22 EsyEyMGG

3.64

-13.49

-9.85
23 PsyEyMQG

4.21

-13.63

-9.42
24 PDyDyMGG

3.27

-12.16

-8.89
25 ysyEyMGG

5.0

-13.64

-8.64
26 PDyEyMQG

5.11

-13.44

-8.33
27 PsyEyMPG

5.78

-14.02

-8.24
28 PEyDyMGG

4.23

-11.93

-7.7
29 PGyDyMGG

1.96

-8.44

-6.48
30 PDyEyMGG

2.24

-8.47

-6.23

 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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