Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-21.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 G
G
 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 3.737 ΔGbinding -1.248
TOTAL
 2.489
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.085
Van der Waals -1.366 Backbone clash 0.046
Electrostatics 0.006 Helix dipole 0.000
Solvation Polar 1.242 Water bridges -0.020
Solvation Hyd -2.185 Disulfide 0.000
VdW clashes 0.204 Electrost. Kon -0.025
Entropy sc 0.320 Part.cov.bonds 0.000
Entropy mc

1.766

 ΔGstability

13.309
       

Predicted ligand sequences for model [PIN3_1YNZ-21.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_1YNZ-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERFMRRPTMM 0.0
2 EWFMRRPTMM 0.05
3 ERFMGRPTMM 0.06
4 ERRMRRPTMM 0.07
5 ERYMRRPTMM 0.09
6 ERFRRRPTMM 0.11
7 EWFMGRPTMM 0.11
8 EWRMRRPTMM 0.11
9 ERRMGRPTMM 0.13
10 EWYMRRPTMM 0.14
11 EWFRRRPTMM 0.15
12 ERYMGRPTMM 0.15
13 ERFRGRPTMM 0.17
14 ERRRRRPTMM 0.17
15 EWRMGRPTMM 0.17
16 EWYMGRPTMM 0.2
17 ERYRRRPTMM 0.2
18 EWFRGRPTMM 0.22
19 EWRRRRPTMM 0.22
20 ERRRGRPTMM 0.24
21 EWYRRRPTMM 0.24
22 ERFLRRPTMM 0.24
23 ERYRGRPTMM 0.26
24 EWFLRRPTMM 0.28
25 EWRRGRPTMM 0.28
26 ERFLGRPTMM 0.3
27 ERRLRRPTMM 0.3
28 EWYRGRPTMM 0.31
29 ERYLRRPTMM 0.33
30 EWFLGRPTMM 0.35
31 EWRLRRPTMM 0.35
32 ERFMRRTTMM 0.35
33 ERRLGRPTMM 0.37
34 EWYLRRPTMM 0.38
35 ERYLGRPTMM 0.39
36 EWFMRRTTMM 0.4
37 EWRLGRPTMM 0.41
38 ERFMGRTTMM 0.42
39 ERRMRRTTMM 0.42
40 ERFMRRPTMN 0.43
41 EWYLGRPTMM 0.44
42 ERYMRRTTMM 0.45
43 ERFMKRPTMM 0.45
44 EWFMGRTTMM 0.46
45 ERFRRRTTMM 0.46
46 EWRMRRTTMM 0.47
47 EWFMRRPTMN 0.47
48 ERRMGRTTMM 0.48
49 ERRMRRPTMN 0.49
50 EWYMRRTTMM 0.49
51 ERFMRRETMM 0.49
52 ERFMGRPTMN 0.49
53 EWFMKRPTMM 0.5
54 ERFMRRPTFM 0.5
55 EWFRRRTTMM 0.51
56 ERYMGRTTMM 0.51
57 ERYMRRPTMN 0.52
58 ERRMKRPTMM 0.52
59 EWRMGRTTMM 0.53
60 ERFRGRTTMM 0.53
61 ERRRRRTTMM 0.53
62 ERFRRRPTMN 0.54
63 EWFMGRPTMN 0.54
64 EWFMRRETMM 0.54
65 EWRMRRPTMN 0.54
66 ERYRRRTTMM 0.55
67 ERYMKRPTMM 0.55
68 EWFMRRPTFM 0.55
69 EWYMGRTTMM 0.55
70 ERRMRRETMM 0.56
71 ERFMGRETMM 0.56
72 ERRMRRPTFM 0.56
73 ERRMGRPTMN 0.56
74 ERFRKRPTMM 0.56
75 ERFMGRPTFM 0.56
76 EWYMRRPTMN 0.56
77 EWRMKRPTMM 0.57
78 EWRRRRTTMM 0.57
79 EWFRGRTTMM 0.57
80 ERYMRRETMM 0.58
81 EWFRRRPTMN 0.58
82 ERYMGRPTMN 0.58
83 ERYMRRPTFM 0.59
84 ERFLRRTTMM 0.59
85 EWYMKRPTMM 0.59
86 ERRRGRTTMM 0.59
87 EWYRRRTTMM 0.6
88 EWFMGRETMM 0.6
89 ERFRGRPTMN 0.6
90 ERRRRRPTMN 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERRMGRPTMM

3.53

-10.1

-6.57
2 ERFLGRPTMM

4.08

-8.73

-4.65
3 ERYMGRPTMM

3.73

-7.67

-3.94
4 ERFMGRPTMM

3.39

-7.33

-3.94
5 ERYRGRPTMM

3.43

-7.21

-3.78
6 ERRRGRPTMM

4.06

-7.33

-3.27
7 ERFMRRPTMM

5.2

-8.29

-3.09
8 ERRLRRPTMM

6.48

-9.48

-3.0
9 EWFMGRPTMM

4.45

-7.06

-2.61
10 EWYMGRPTMM

4.55

-6.93

-2.38
11 ERYMRRPTMM

4.75

-7.11

-2.36
12 ERFRGRPTMM

3.39

-5.68

-2.29
13 ERRMRRPTMM

6.03

-8.29

-2.26
14 EWRMGRPTMM

4.84

-7.02

-2.18
15 ERYRRRPTMM

5.37

-7.41

-2.04
16 ERYLRRPTMM

5.63

-7.64

-2.01
17 ERFLRRPTMM

5.93

-7.92

-1.99
18 EWFLGRPTMM

4.96

-6.94

-1.98
19 ERRRRRPTMM

4.22

-6.05

-1.83
20 EWYMRRPTMM

6.18

-7.72

-1.54
21 EWFRGRPTMM

4.04

-5.53

-1.49
22 ERFRRRPTMM

4.24

-5.72

-1.48
23 EWRMRRPTMM

5.72

-7.08

-1.36
24 EWRRGRPTMM

4.16

-5.44

-1.28
25 EWRRRRPTMM

5.21

-6.16

-0.95
26 EWYRGRPTMM

4.99

-5.94

-0.95
27 EWFLRRPTMM

6.29

-6.8

-0.51
28 EWYRRRPTMM

5.19

-5.66

-0.47
29 EWFMRRPTMM

6.52

-6.82

-0.3
30 EWFRRRPTMM

5.77

-6.01

-0.24

 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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