Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKA-28.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 9.200 ΔGbinding 0.187
TOTAL
 9.387
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.342
Van der Waals -4.998 Backbone clash 0.107
Electrostatics 0.169 Helix dipole 0.000
Solvation Polar 5.717 Water bridges -0.069
Solvation Hyd -6.841 Disulfide 0.000
VdW clashes 3.276 Electrost. Kon 0.157
Entropy sc 1.453 Part.cov.bonds 0.000
Entropy mc

4.807

 ΔGstability

42.573
       

Predicted ligand sequences for model [PIN3_1CKA-28.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).
 
  PIN3_1CKA-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPRPYPPKLR 0.0
2 FPPPYPPKLR 0.01
3 FPRFYPPKLR 0.01
4 FPPFYPPKLR 0.02
5 WPRFYPPKLR 0.03
6 FPRPYHPKLR 0.03
7 WPRPYPPKLR 0.03
8 FPHPYPPKLR 0.04
9 FPRFYHPKLR 0.04
10 WPPPYPPKLR 0.04
11 FPPPYHPKLR 0.05
12 FPHFYPPKLR 0.05
13 FPRPYRPKLR 0.05
14 FPRFYRPKLR 0.05
15 FPRPYPPPLR 0.05
16 FPPFYHPKLR 0.05
17 WPPFYPPKLR 0.05
18 FPRFYPPPLR 0.05
19 WPRPYHPKLR 0.06
20 FPPPYPPPLR 0.06
21 FPPPYRPKLR 0.06
22 FPPFYPPPLR 0.07
23 FPPFYRPKLR 0.07
24 WPRFYHPKLR 0.07
25 WPRPYRPKLR 0.07
26 WPHPYPPKLR 0.07
27 WPRFYRPKLR 0.08
28 FPRPYHPPLR 0.08
29 FPHPYHPKLR 0.08
30 WPPPYHPKLR 0.08
31 WPHFYPPKLR 0.08
32 WPRFYPPPLR 0.08
33 WPRPYPPPLR 0.08
34 WPPFYHPKLR 0.08
35 FPHFYHPKLR 0.08
36 FPHPYRPKLR 0.09
37 WPPPYRPKLR 0.09
38 FPHPYPPPLR 0.09
39 WPPFYRPKLR 0.09
40 WPPPYPPPLR 0.09
41 FPRFYHPPLR 0.09
42 FPHFYRPKLR 0.09
43 FPRPYRPPLR 0.1
44 FPHFYPPPLR 0.1
45 FPPFYHPPLR 0.1
46 WPHPYHPKLR 0.1
47 WPPFYPPPLR 0.1
48 FPRFYRPPLR 0.1
49 FPPPYHPPLR 0.1
50 FPPFYRPPLR 0.11
51 WPHFYHPKLR 0.11
52 WPRPYHPPLR 0.11
53 FPRPYPPRLR 0.11
54 FPPPYRPPLR 0.11
55 FPRFYPPRLR 0.12
56 WPHFYPPPLR 0.12
57 FPHPYHPPLR 0.12
58 WPHFYRPKLR 0.12
59 WPHPYRPKLR 0.12
60 WPPPYHPPLR 0.12
61 WPHPYPPPLR 0.12
62 WPRFYHPPLR 0.12
63 WPRPYRPPLR 0.12
64 FPPFYPPRLR 0.13
65 FPPPYPPRLR 0.13
66 WPPFYHPPLR 0.13
67 FPHFYHPPLR 0.13
68 WPRFYRPPLR 0.13
69 WPPPYRPPLR 0.14
70 WPRPYPPRLR 0.14
71 FPHPYRPPLR 0.14
72 FPHFYRPPLR 0.14
73 WPPFYRPPLR 0.14
74 WPRFYPPRLR 0.15
75 FPRPYHPRLR 0.15
76 WPHPYHPPLR 0.15
77 WPPPYPPRLR 0.15
78 FPHPYPPRLR 0.15
79 FPRFYHPRLR 0.15
80 FPHFYPPRLR 0.16
81 WPHPYRPPLR 0.16
82 FPRPYRPRLR 0.16
83 WPPFYPPRLR 0.16
84 WPHFYHPPLR 0.16
85 FPPPYHPRLR 0.16
86 FPPPYRPRLR 0.17
87 WPHFYRPPLR 0.17
88 FPPFYHPRLR 0.17
89 FPRFYRPRLR 0.17
90 WPRFYHPRLR 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPPYPPKLR

3.09

-10.61

-7.52
2 FPPPYHPKLR

2.93

-10.11

-7.18
3 FPRPYRPKLR

3.32

-10.42

-7.1
4 FPPPYRPKLR

3.24

-10.29

-7.05
5 FPRPYPPKLR

3.11

-9.86

-6.75
6 FPPPYPPPLR

3.05

-9.77

-6.72
7 FPRPYHPKLR

2.89

-9.6

-6.71
8 FPPFYPPKLR

3.21

-9.86

-6.65
9 FPRFYRPKLR

3.75

-10.25

-6.5
10 FPPFYRPKLR

3.57

-9.95

-6.38
11 FPRPYPPPLR

3.39

-9.75

-6.36
12 FPPFYPPPLR

3.36

-9.63

-6.27
13 WPRPYHPKLR

2.93

-9.15

-6.22
14 WPPPYHPKLR

2.69

-8.7

-6.01
15 WPRFYHPKLR

2.99

-8.91

-5.92
16 WPRPYRPKLR

3.04

-8.8

-5.76
17 FPRFYPPPLR

3.35

-9.0

-5.65
18 WPRPYPPKLR

3.31

-8.94

-5.63
19 FPHFYPPKLR

3.1

-8.6

-5.5
20 WPRFYRPKLR

3.08

-8.47

-5.39
21 WPPFYPPKLR

2.78

-8.03

-5.25
22 FPRFYPPKLR

3.77

-8.82

-5.05
23 FPRPYHPPLR

3.15

-7.79

-4.64
24 FPPFYHPKLR

4.14

-8.74

-4.6
25 WPRFYPPKLR

3.89

-8.03

-4.14
26 FPRFYHPKLR

5.49

-7.38

-1.89
27 FPHPYHPKLR

5.83

-7.32

-1.49
28 WPPPYPPKLR

8.99

-9.81

-0.82
29 FPHPYPPKLR

8.77

-8.95

-0.18
30 WPHPYPPKLR

11.39

-10.41

0.98

 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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