Predicted ligand sequences


ADAN-name: 2PTK2.PDB (view again the scoring matrix)

PDB name: [2PTK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P Q T Q G L A K
position 1 2 3 4 5 6 7 8 9
poly-Ala A
A
A
A
 A
G
 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 6.278 ΔGbinding -5.910
TOTAL
 0.368
Backbone Hb -1.720 Cis_bond 0.000
Sidechain Hb -3.450 Torsional clash 0.200
Van der Waals -7.980 Backbone clash 0.140
Electrostatics -0.170 Helix dipole 0.000
Solvation Polar 8.580 Water bridges -0.790
Solvation Hyd -10.300 Disulfide 0.000
VdW clashes 0.980 Electrost. Kon -0.020
Entropy sc 3.970 Part.cov.bonds 0.000
Entropy mc

4.800

 ΔGstability

27.010
       

Predicted ligand sequences for template [2PTK2.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).
 
  2PTK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KIETRGWYP 0.0
2 KIGTRGWYP 0.01
3 KIETRGYYP 0.16
4 KIETRGFYP 0.16
5 KIGTRGFYP 0.17
6 KIGTRGYYP 0.17
7 KIDTRGWYP 0.17
8 KIETMGWYP 0.18
9 KIETKGWYP 0.19
10 KIGTMGWYP 0.19
11 KIGTKGWYP 0.2
12 KIDTRGFYP 0.32
13 KIETMGFYP 0.33
14 KIDTRGYYP 0.33
15 KIETKGFYP 0.34
16 KIETKGYYP 0.34
17 KIGTMGFYP 0.34
18 KIETMGYYP 0.34
19 RIETRGWYP 0.35
20 KIGTKGYYP 0.35
21 KIGTMGYYP 0.35
22 KIDTMGWYP 0.35
23 KIDTKGWYP 0.35
24 KIGTKGFYP 0.35
25 RIGTRGWYP 0.37
26 DIETRGWYP 0.37
27 DIGTRGWYP 0.38
28 KIETRGWYM 0.44
29 KIETRGWTP 0.44
30 KIGTRGWYM 0.45
31 KIGTRGWTP 0.45
32 KIETRGWAP 0.47
33 KIGTRGWAP 0.48
34 KIDTMGFYP 0.5
35 RIETRGYYP 0.51
36 RIETRGFYP 0.51
37 KIDTKGYYP 0.51
38 KIDTMGYYP 0.51
39 KIDTKGFYP 0.51
40 RIDTRGWYP 0.52
41 RIGTRGFYP 0.52
42 DIETRGFYP 0.52
43 DIGTRGFYP 0.53
44 RIGTRGYYP 0.53
45 RIETMGWYP 0.53
46 DIETRGYYP 0.53
47 DIGTRGYYP 0.54
48 RIETKGWYP 0.54
49 DIETMGWYP 0.54
50 DIDTRGWYP 0.54
51 RIGTMGWYP 0.54
52 RIGTKGWYP 0.55
53 DIETKGWYP 0.55
54 DIGTKGWYP 0.56
55 DIGTMGWYP 0.56
56 KIETRGYYM 0.59
57 KIETRGFYM 0.59
58 KIGTRGFYM 0.6
59 KIETRGFTP 0.6
60 KIETRGYTP 0.6
61 KIGTRGYYM 0.6
62 KIDTRGWYM 0.6
63 KIETMGWYM 0.61
64 KIGTRGYTP 0.61
65 KIDTRGWTP 0.61
66 KIGTRGFTP 0.61
67 KIETKGWYM 0.62
68 KIETRGFAP 0.62
69 KIETMGWTP 0.62
70 KIETRGYAP 0.63
71 KIGTMGWYM 0.63
72 KIGTKGWYM 0.63
73 KIGTMGWTP 0.63
74 KIGTRGFAP 0.63
75 KIETKGWTP 0.63
76 KIDTRGWAP 0.64
77 KIGTRGYAP 0.64
78 KIGTKGWTP 0.64
79 KIETMGWAP 0.65
80 KIETKGWAP 0.65
81 KIGTMGWAP 0.66
82 KIGTKGWAP 0.66
83 RIDTRGFYP 0.68
84 RIDTRGYYP 0.68
85 RIETMGFYP 0.69
86 RIETMGYYP 0.69
87 DIDTRGFYP 0.69
88 DIDTRGYYP 0.69
89 RIETKGFYP 0.7
90 DIETMGFYP 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KIETRGWTP

4.7

-9.49

-4.79
2 KIGTKGWYP

3.67

-8.33

-4.66
3 KIGTRGYYP

3.86

-8.28

-4.42
4 KIETRGWYM

4.28

-8.62

-4.34
5 DIGTRGWYP

4.37

-8.38

-4.01
6 KIDTRGYYP

4.3

-8.14

-3.84
7 KIGTMGYYP

3.86

-7.64

-3.78
8 KIDTRGWYP

4.29

-7.9

-3.61
9 KIETRGWYP

4.58

-8.16

-3.58
10 KIGTRGFYP

4.08

-7.59

-3.51
11 KIETRGFYP

4.41

-7.86

-3.45
12 RIGTRGWYP

4.19

-7.56

-3.37
13 KIGTRGWYP

3.8

-7.06

-3.26
14 KIETRGYYP

4.26

-7.5

-3.24
15 KIGTRGWYM

3.58

-6.75

-3.17
16 KIDTRGFYP

4.35

-7.52

-3.17
17 KIETKGWYP

5.01

-8.15

-3.14
18 KIDTKGWYP

4.16

-7.25

-3.09
19 KIDTMGWYP

4.18

-7.23

-3.05
20 KIGTMGWYP

4.27

-7.12

-2.85
21 RIETRGWYP

4.59

-7.38

-2.79
22 KIGTKGYYP

4.01

-6.77

-2.76
23 KIETKGFYP

4.14

-6.81

-2.67
24 KIGTKGFYP

4.04

-6.68

-2.64
25 KIETMGWYP

4.49

-7.12

-2.63
26 DIETRGWYP

5.7

-8.29

-2.59
27 KIETMGYYP

4.47

-7.01

-2.54
28 KIETKGYYP

4.63

-7.09

-2.46
29 KIETMGFYP

4.33

-6.73

-2.4
30 KIGTMGFYP

4.33

-6.45

-2.12

 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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