Predicted ligand sequences


ADAN-name: 2VIF2.PDB (view again the scoring matrix)

PDB name: [2VIF.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N N y V Y I D P T
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
y
 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 4.295 ΔGbinding -25.350
TOTAL
 -21.055
Backbone Hb -9.250 Cis_bond 0.000
Sidechain Hb -11.920 Torsional clash 0.160
Van der Waals -18.490 Backbone clash 0.620
Electrostatics -4.970 Helix dipole -0.140
Solvation Polar 25.610 Water bridges -1.650
Solvation Hyd -21.310 Disulfide 0.000
VdW clashes 2.170 Electrost. Kon -1.410
Entropy sc 8.660 Part.cov.bonds 0.000
Entropy mc

7.180

 ΔGstability

-5.150
       

Predicted ligand sequences for template [2VIF2.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).
 
  2VIF2.PDB  

(data)
# Predicted Sequences Value Calculate
1 syyIyMIET 0.0
2 syyIyMCET 0.04
3 syyIyMIEN 0.22
4 syyIyMCEN 0.26
5 syyIyMEET 0.26
6 syyIyMsET 0.31
7 syyIyMWET 0.32
8 syyIyMIEM 0.42
9 syyVyMIET 0.44
10 syyIyMCEM 0.46
11 syyVyMCET 0.48
12 syyIyMEEN 0.49
13 syyIyMIEL 0.5
14 syyIyMsEN 0.53
15 syyIyIIET 0.53
16 syyIyMCEL 0.54
17 syyMyMIET 0.55
18 syyIyMWEN 0.55
19 syyIyICET 0.57
20 syyMyMCET 0.59
21 syyVyMIEN 0.66
22 syyIyMEEM 0.69
23 syyVyMCEN 0.7
24 syyVyMEET 0.7
25 syyIyMsEM 0.73
26 syyVyMsET 0.74
27 syyIyIIEN 0.75
28 syyIyMWEM 0.75
29 syyVyMWET 0.76
30 syyIyMEEL 0.76
31 syyMyMIEN 0.77
32 syyIyICEN 0.79
33 syyIyIEET 0.79
34 syyIyMsEL 0.8
35 syyMyMCEN 0.81
36 syyMyMEET 0.81
37 syyIyMWEL 0.82
38 syyIyIsET 0.83
39 syyMyMsET 0.85
40 syyIyIWET 0.85
41 syyVyMIEM 0.86
42 syyMyMWET 0.87
43 syyVyMCEM 0.9
44 syyVyMEEN 0.92
45 syyVyMIEL 0.93
46 syyIyIIEM 0.95
47 syyVyIIET 0.96
48 syyMyMIEM 0.97
49 syyVyMCEL 0.97
50 syyVyMsEN 0.97
51 syyVyMWEN 0.98
52 syyIyICEM 0.99
53 syyVyICET 1.0
54 syyMyMCEM 1.01
55 syyIyIEEN 1.01
56 syyIyIIEL 1.02
57 syyMyMIEL 1.04
58 syyMyMEEN 1.04
59 syyIyIsEN 1.05
60 syyIyICEL 1.06
61 syyIyIWEN 1.07
62 syyMyIIET 1.07
63 syyMyMsEN 1.08
64 syyMyMCEL 1.09
65 syyMyMWEN 1.1
66 syyMyICET 1.11
67 syyVyMEEM 1.12
68 syyVyMsEM 1.17
69 syyVyMWEM 1.18
70 syyVyIIEN 1.19
71 syyVyMEEL 1.2
72 syyIyIEEM 1.21
73 syyVyIEET 1.23
74 syyVyICEN 1.23
75 syyVyMsEL 1.24
76 syyMyMEEM 1.24
77 syyIyIsEM 1.25
78 syyVyMWEL 1.26
79 syyIyIWEM 1.27
80 syyVyIsET 1.27
81 syyMyMsEM 1.28
82 syyVyIWET 1.28
83 syyIyIEEL 1.28
84 syyMyIIEN 1.3
85 syyMyMWEM 1.3
86 syyMyMEEL 1.31
87 syyIyIsEL 1.33
88 syyMyIEET 1.34
89 syyIyIWEL 1.34
90 syyMyICEN 1.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 syyIyMCEM

3.82

-37.91

-34.09
2 syyIyMCEN

4.1

-36.83

-32.73
3 syyVyMCEN

4.06

-36.57

-32.51
4 syyIyMIET

4.19

-35.98

-31.79
5 syyVyMCET

3.89

-35.67

-31.78
6 syyIyMsET

3.93

-35.34

-31.41
7 syyIyICET

3.83

-34.92

-31.09
8 syyIyMsEM

4.37

-35.32

-30.95
9 syyMyMIET

3.85

-34.56

-30.71
10 syyVyMEET

4.34

-35.0

-30.66
11 syyIyIIEN

4.06

-34.62

-30.56
12 syyVyMsET

3.96

-34.51

-30.55
13 syyIyMEET

4.03

-34.48

-30.45
14 syyIyMCET

4.07

-34.5

-30.43
15 syyVyMIEN

4.31

-34.67

-30.36
16 syyVyMWET

3.95

-33.96

-30.01
17 syyIyMsEN

3.95

-33.95

-30.0
18 syyMyMCET

3.67

-33.64

-29.97
19 syyIyMEEL

4.45

-34.4

-29.95
20 syyIyMEEN

4.19

-34.01

-29.82
21 syyIyIIET

4.15

-33.35

-29.2
22 syyIyMCEL

4.09

-33.09

-29.0
23 syyIyMEEM

3.94

-32.78

-28.84
24 syyIyMWEN

4.1

-32.92

-28.82
25 syyIyMWEM

4.39

-32.91

-28.52
26 syyIyMIEN

4.5

-32.79

-28.29
27 syyVyMIET

4.06

-32.0

-27.94
28 syyIyMWET

4.59

-31.81

-27.22
29 syyIyMIEL

4.39

-31.56

-27.17
30 syyIyMIEM

4.69

-30.81

-26.12

 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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