Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-28.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 1.907 ΔGbinding -4.620
TOTAL
 -2.713
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.333
Van der Waals -5.094 Backbone clash 0.154
Electrostatics 0.120 Helix dipole 0.000
Solvation Polar 5.409 Water bridges -0.063
Solvation Hyd -7.327 Disulfide 0.000
VdW clashes 0.220 Electrost. Kon 0.122
Entropy sc 0.986 Part.cov.bonds 0.000
Entropy mc

3.225

 ΔGstability

4.741
       

Predicted ligand sequences for model [PIN3_1ZX6-28.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_1ZX6-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRPRFKYPLI 0.0
2 KRPRFKYPWI 0.01
3 KRPRFPYPLI 0.05
4 KRPRFKFPLI 0.06
5 KRPRFPYPWI 0.06
6 KRPRFKMPLI 0.08
7 KRPRFKFPWI 0.08
8 KRPIFKYPLI 0.09
9 KRPMFKYPLI 0.1
10 KRPRFKYPVI 0.1
11 KRPIFKYPWI 0.1
12 KRPRFKMPWI 0.1
13 KRPMFKYPWI 0.11
14 KRPRFPFPLI 0.11
15 KRPRFPMPLI 0.13
16 KRPRFPFPWI 0.13
17 KRPIFPYPLI 0.14
18 KRPRFPMPWI 0.15
19 KRPIFPYPWI 0.15
20 KRPMFPYPLI 0.15
21 KRPRFPYPVI 0.15
22 KRPIFKFPLI 0.15
23 KRPRFKYKLI 0.16
24 KRPRFKFPVI 0.16
25 KRPMFKFPLI 0.16
26 KRPIFKFPWI 0.16
27 KRPRFKYKWI 0.17
28 KRPIFKMPLI 0.17
29 KRPMFPYPWI 0.17
30 FRPRFKYPLI 0.18
31 KRPMFKMPLI 0.18
32 KRPRFKMPVI 0.18
33 KRPMFKFPWI 0.18
34 KRPIFKMPWI 0.18
35 KRPIFKYPVI 0.19
36 RRPRFKYPLI 0.19
37 KRPIFPFPLI 0.2
38 KRPMFKMPWI 0.2
39 FRPRFKYPWI 0.2
40 RRPRFKYPWI 0.2
41 KRPMFKYPVI 0.2
42 KRPRFKYILI 0.2
43 KRPRFPFPVI 0.21
44 KRPRFPYKLI 0.21
45 KRPIFPFPWI 0.21
46 KRPMFPFPLI 0.21
47 KRPRFIYPLI 0.21
48 KRPIFPMPLI 0.22
49 KRPRFPYKWI 0.22
50 KRPRFKYIWI 0.22
51 KRPRFKFKLI 0.22
52 KRPRFIYPWI 0.22
53 KRPIFPMPWI 0.23
54 KRPMFPMPLI 0.23
55 FRPRFPYPLI 0.23
56 KRPRFPMPVI 0.23
57 KRPMFPFPWI 0.23
58 KRPRFKFKWI 0.23
59 KRPRFKMKLI 0.24
60 KRPIFPYPVI 0.24
61 FRPRFKFPLI 0.24
62 RRPRFPYPLI 0.24
63 KRPIFKYKLI 0.24
64 KRPIFKFPVI 0.25
65 FRPRFPYPWI 0.25
66 KRPMFPYPVI 0.25
67 RRPRFKFPLI 0.25
68 KRPRFKMKWI 0.25
69 KRPMFPMPWI 0.25
70 RRPRFPYPWI 0.25
71 KRPIFKYKWI 0.26
72 KRPRFKYKVI 0.26
73 FRPRFKMPLI 0.26
74 KRPRFPYILI 0.26
75 KRPMFKYKLI 0.26
76 FRPRFKFPWI 0.26
77 RRPRFKFPWI 0.27
78 KRPRFPYIWI 0.27
79 KRPRFKFILI 0.27
80 KRPMFKYKWI 0.27
81 KRPMFKFPVI 0.27
82 FRPIFKYPLI 0.27
83 KRPRFPFKLI 0.27
84 KRPRFIFPLI 0.27
85 RRPRFKMPLI 0.27
86 KRPIFKMPVI 0.27
87 KRPMFKMPVI 0.28
88 FRPRFKYPVI 0.28
89 KRPRFPFKWI 0.28
90 FRPMFKYPLI 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRPRFKMPLI

2.63

-12.1

-9.47
2 KRPRFPYPLI

2.32

-11.62

-9.3
3 KRPRFKMPWI

2.72

-11.52

-8.8
4 KRPIFKMPLI

1.45

-10.19

-8.74
5 KRPRFKYPVI

4.12

-12.62

-8.5
6 KRPIFKYPLI

2.57

-10.74

-8.17
7 KRPRFPYPVI

2.79

-10.72

-7.93
8 KRPRFPFPLI

3.04

-10.7

-7.66
9 KRPRFKYKLI

2.85

-10.44

-7.59
10 KRPRFPMPWI

3.04

-10.53

-7.49
11 KRPRFKFPLI

1.3

-8.77

-7.47
12 KRPRFKYPLI

1.46

-8.71

-7.25
13 KRPIFKFPWI

2.9

-10.06

-7.16
14 KRPIFKFPLI

3.2

-10.36

-7.16
15 KRPIFPYPWI

2.21

-9.18

-6.97
16 KRPRFKFPWI

2.58

-9.46

-6.88
17 KRPRFKYKWI

3.17

-9.95

-6.78
18 KRPRFPMPLI

2.1

-8.44

-6.34
19 KRPRFPFPWI

3.26

-9.53

-6.27
20 KRPIFKYPWI

2.27

-8.13

-5.86
21 KRPRFKFPVI

2.22

-7.99

-5.77
22 KRPIFPYPLI

2.31

-8.06

-5.75
23 FRPRFKYPLI

1.68

-6.98

-5.3
24 KRPMFKYPLI

4.64

-9.94

-5.3
25 KRPMFPYPWI

3.22

-8.19

-4.97
26 KRPMFPYPLI

2.51

-6.72

-4.21
27 KRPMFKFPLI

3.55

-7.64

-4.09
28 KRPRFKYPWI

3.55

-6.72

-3.17
29 KRPMFKYPWI

5.03

-7.2

-2.17
30 KRPRFPYPWI

3.44

-0.71

2.73

 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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