Predicted ligand sequences


ADAN-name: 1I7X2.PDB (view again the scoring matrix)

PDB name: [1I7X.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G N F I D E N L K A A D S D P T A P P Y
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala G A A
A
A
A
 A
A
 A
A
 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 10.332 ΔGbinding -10.732
TOTAL
 -0.400
Backbone Hb -3.550 Cis_bond 0.000
Sidechain Hb -6.300 Torsional clash 0.408
Van der Waals -8.737 Backbone clash 2.176
Electrostatics -5.107 Helix dipole 0.028
Solvation Polar 12.511 Water bridges -0.431
Solvation Hyd -10.563 Disulfide 0.000
VdW clashes 6.543 Electrost. Kon -3.705
Entropy sc 5.531 Part.cov.bonds 0.000
Entropy mc

2.639

 ΔGstability

93.060
       

Predicted ligand sequences for template [1I7X2.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).
 
  1I7X2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMPWNINLSWSEMQDDDPPy 0.0
2 FMPWNIDLSWSEMQDDDPPy 0.02
3 FWPWNINLSWSEMQDDDPPy 0.03
4 FWPWNIDLSWSEMQDDDPPy 0.04
5 FMPWNINLSWSESQDDDPPy 0.05
6 FMPWNINLSWSEEQDDDPPy 0.06
7 FMPWNIDLSWSESQDDDPPy 0.07
8 FWPWNINLSWSESQDDDPPy 0.08
9 FMPWNIDLSWSEEQDDDPPy 0.08
10 FWPWNIDLSWSESQDDDPPy 0.09
11 FWPWNINLSWSEEQDDDPPy 0.09
12 FMPWNINLSCSEMQDDDPPy 0.11
13 FWPWNIDLSWSEEQDDDPPy 0.11
14 FMPWNINLSWSSMQDDDPPy 0.11
15 FWPWNINLSCSEMQDDDPPy 0.13
16 FMPWNIDLSWSSMQDDDPPy 0.13
17 FMPWNIDLSCSEMQDDDPPy 0.13
18 FKPWNINLSWSEMQDDDPPy 0.14
19 FWPWNINLSWSSMQDDDPPy 0.14
20 FWPWNIDLSWSSMQDDDPPy 0.15
21 FWPWNIDLSCSEMQDDDPPy 0.15
22 FKPWNIDLSWSEMQDDDPPy 0.15
23 FMPWNINLSWSSSQDDDPPy 0.16
24 FMPWNINLSCSESQDDDPPy 0.16
25 FMPWNINLSWCEMQDDDPPy 0.16
26 FMPWNFNLSWSEMQDDDPPy 0.17
27 FMPWNINLSWSEMQDDDGPy 0.17
28 FMPWNIDLSWCEMQDDDPPy 0.17
29 FMPWNINLSWSSEQDDDPPy 0.17
30 FMPWNINLSCSEEQDDDPPy 0.17
31 FMPWNIDLSWSSSQDDDPPy 0.18
32 FMPWNIDLSCSESQDDDPPy 0.18
33 FWPWNINLSWCEMQDDDPPy 0.18
34 FKPWNINLSWSESQDDDPPy 0.19
35 FWPWNINLSCSESQDDDPPy 0.19
36 FMPWNIDLSWSEMQDDDGPy 0.19
37 FMPWNIDLSWSSEQDDDPPy 0.19
38 FMPWNIDLSCSEEQDDDPPy 0.19
39 FWPWNINLSWSSSQDDDPPy 0.19
40 FMPWNFDLSWSEMQDDDPPy 0.19
41 FMPWNpNLSWSEMQDDDPPy 0.19
42 FWPWNIDLSWCEMQDDDPPy 0.2
43 FWPWNIDLSWSSSQDDDPPy 0.2
44 FWPWNINLSWSEMQDDDGPy 0.2
45 FWPWNIDLSCSESQDDDPPy 0.2
46 FKPWNINLSWSEEQDDDPPy 0.2
47 FWPWNFNLSWSEMQDDDPPy 0.2
48 FKPWNIDLSWSESQDDDPPy 0.2
49 FMPWNpDLSWSEMQDDDPPy 0.2
50 FWPWNINLSWSSEQDDDPPy 0.2
51 FWPWNINLSCSEEQDDDPPy 0.2
52 FMPWNINLSWSEMQsDDPPy 0.2
53 FWPWNpNLSWSEMQDDDPPy 0.21
54 FWPWNIDLSWSEMQDDDGPy 0.21
55 FWPWNIDLSCSEEQDDDPPy 0.21
56 FWPWNFDLSWSEMQDDDPPy 0.21
57 FMPWNINLSWCESQDDDPPy 0.21
58 FMPWNINLSWCEEQDDDPPy 0.22
59 FMPWNIDLSWSEMQsDDPPy 0.22
60 FWPWNIDLSWSSEQDDDPPy 0.22
61 FMPWNINLSWSESQDDDGPy 0.22
62 FKPWNIDLSWSEEQDDDPPy 0.22
63 FMPWNIDLSWCESQDDDPPy 0.22
64 FMPWNINLSCSSMQDDDPPy 0.22
65 FMPWNFNLSWSESQDDDPPy 0.22
66 FMPWNINLSWSEMQDsDPPy 0.22
67 FWPWNINLSWCESQDDDPPy 0.23
68 FWPWNINLSWSEMQsDDPPy 0.23
69 FMPWNIDLSCSSMQDDDPPy 0.23
70 FMPWNIDLSWCEEQDDDPPy 0.23
71 FWPWNpDLSWSEMQDDDPPy 0.23
72 FMPWNpNLSWSESQDDDPPy 0.24
73 FMPWNFNLSWSEEQDDDPPy 0.24
74 FMPWNIDLSWSESQDDDGPy 0.24
75 FWPWNIDLSWSEMQsDDPPy 0.24
76 FMPWNIDLSWSEMQDsDPPy 0.24
77 FMPWNINLSWSEEQDDDGPy 0.24
78 FMPWNIyLSWSEMQDDDPPy 0.24
79 FMPWNFDLSWSESQDDDPPy 0.24
80 FWPWNINLSCSSMQDDDPPy 0.24
81 FWPWNINLSWCEEQDDDPPy 0.24
82 FKPWNINLSWSSMQDDDPPy 0.25
83 FMPWNFDLSWSEEQDDDPPy 0.25
84 FKPWNINLSCSEMQDDDPPy 0.25
85 FWPWNFNLSWSESQDDDPPy 0.25
86 FWPWNIDLSWCESQDDDPPy 0.25
87 FWPWNINLSWSEMQDsDPPy 0.25
88 FWPWNINLSWSESQDDDGPy 0.25
89 FMPWNIDLSWSEEQDDDGPy 0.25
90 FMPWNpNLSWSEEQDDDPPy 0.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FMPWNIDLSWSEEQDDDPPy

11.96

-18.33

-6.37
2 FMPWNINLSWSEMQDDDPPy

11.86

-17.94

-6.08
3 FKPWNIDLSWSEMQDDDPPy

11.92

-17.63

-5.71
4 FMPWNIDLSWSESQDDDPPy

11.75

-16.72

-4.97
5 FKPWNINLSWSEMQDDDPPy

12.0

-16.62

-4.62
6 FMPWNIDLSWSEMQDDDPPy

12.5

-17.05

-4.55
7 FMPWNINLSWSSSQDDDPPy

10.9

-15.3

-4.4
8 FWPWNINLSWSEMQDDDPPy

12.99

-17.03

-4.04
9 FMPWNFNLSWSEMQDDDPPy

12.55

-16.54

-3.99
10 FMPWNINLSCSEMQDDDPPy

13.47

-17.44

-3.97
11 FMPWNINLSCSESQDDDPPy

11.75

-15.66

-3.91
12 FMPWNIDLSCSEMQDDDPPy

11.76

-15.58

-3.82
13 FWPWNIDLSCSEMQDDDPPy

12.55

-16.24

-3.69
14 FMPWNINLSWSSMQDDDPPy

11.7

-15.31

-3.61
15 FWPWNIDLSWSEMQDDDPPy

13.02

-16.62

-3.6
16 FWPWNIDLSWSESQDDDPPy

11.94

-15.25

-3.31
17 FMPWNINLSWSEEQDDDPPy

13.73

-16.97

-3.24
18 FWPWNINLSWSESQDDDPPy

13.34

-16.54

-3.2
19 FWPWNIDLSWSEEQDDDPPy

12.98

-16.1

-3.12
20 FWPWNINLSCSEMQDDDPPy

12.95

-16.06

-3.11
21 FWPWNIDLSWSSMQDDDPPy

13.12

-16.16

-3.04
22 FMPWNINLSCSEEQDDDPPy

11.44

-14.4

-2.96
23 FMPWNINLSWCEMQDDDPPy

11.59

-14.34

-2.75
24 FMPWNINLSWSESQDDDPPy

14.01

-16.39

-2.38
25 FMPWNIDLSWSSMQDDDPPy

14.07

-16.3

-2.23
26 FWPWNINLSWSEEQDDDPPy

15.3

-17.38

-2.08
27 FWPWNINLSWSSMQDDDPPy

14.55

-14.81

-0.26
28 FMPWNIDLSWCEMQDDDPPy

14.59

-14.56

0.03
29 FMPWNINLSWSEMQDDDGPy

18.89

-16.99

1.9
30 FMPWNINLSWSSEQDDDPPy

19.43

-15.59

3.84

 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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