Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-19.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
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 5.210 ΔGbinding -2.366
TOTAL
 2.844
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.269
Van der Waals -4.578 Backbone clash 0.002
Electrostatics 0.172 Helix dipole 0.000
Solvation Polar 4.551 Water bridges 0.006
Solvation Hyd -6.614 Disulfide 0.000
VdW clashes 1.690 Electrost. Kon 0.186
Entropy sc 0.936 Part.cov.bonds 0.000
Entropy mc

3.565

 ΔGstability

11.742
       

Predicted ligand sequences for model [PIN3_1YNZ-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFMFGRHL 0.0
2 RPFMFGRHL 0.01
3 FPYMFGRHL 0.04
4 RPYMFGRHL 0.05
5 FPIMFGRHL 0.06
6 RPIMFGRHL 0.07
7 FPFMFGRHF 0.08
8 RPFMFGRHF 0.09
9 FPFMFGFHL 0.1
10 RPFMFGFHL 0.11
11 FPYMFGRHF 0.12
12 FPYMFGFHL 0.14
13 FPIMFGRHF 0.14
14 RPYMFGRHF 0.14
15 RPIMFGRHF 0.15
16 RPYMFGFHL 0.15
17 FPIMFGFHL 0.16
18 RPIMFGFHL 0.17
19 FPFMFGFHF 0.18
20 RPFMFGFHF 0.19
21 FPYMFGFHF 0.22
22 RPYMFGFHF 0.23
23 FPFMFGWHL 0.24
24 FPIMFGFHF 0.24
25 RPFMFGWHL 0.25
26 RPIMFGFHF 0.25
27 FPYMFGWHL 0.28
28 RPYMFGWHL 0.29
29 FPIMFGWHL 0.3
30 RPIMFGWHL 0.31
31 FPFMFGWHF 0.32
32 RPFMFGWHF 0.33
33 FPYMFGWHF 0.36
34 RPYMFGWHF 0.37
35 FPFMFGRHI 0.38
36 FPIMFGWHF 0.38
37 RPFMFGRHI 0.39
38 RPIMFGWHF 0.39
39 FVFMFGRHL 0.42
40 FPYMFGRHI 0.42
41 RVFMFGRHL 0.43
42 RPYMFGRHI 0.43
43 FPIMFGRHI 0.44
44 RPIMFGRHI 0.45
45 FVYMFGRHL 0.46
46 RVYMFGRHL 0.47
47 FPFMFGFHI 0.48
48 FVIMFGRHL 0.48
49 RPFMFGFHI 0.49
50 RVIMFGRHL 0.49
51 FVFMFGRHF 0.5
52 RVFMFGRHF 0.51
53 FPYMFGFHI 0.52
54 FVFMFGFHL 0.52
55 RPYMFGFHI 0.53
56 RVFMFGFHL 0.53
57 FVYMFGRHF 0.54
58 FPIMFGFHI 0.54
59 RVYMFGRHF 0.55
60 RPIMFGFHI 0.55
61 FVIMFGRHF 0.56
62 FVYMFGFHL 0.56
63 RVIMFGRHF 0.57
64 RVYMFGFHL 0.57
65 FVIMFGFHL 0.58
66 RVIMFGFHL 0.59
67 FVFMFGFHF 0.6
68 RVFMFGFHF 0.61
69 FPFMFGWHI 0.62
70 RPFMFGWHI 0.63
71 FVYMFGFHF 0.64
72 RVYMFGFHF 0.65
73 FVFMFGWHL 0.66
74 FPYMFGWHI 0.66
75 FVIMFGFHF 0.66
76 RVIMFGFHF 0.67
77 RPYMFGWHI 0.67
78 RVFMFGWHL 0.67
79 FPIMFGWHI 0.68
80 RPIMFGWHI 0.69
81 FVYMFGWHL 0.7
82 RVYMFGWHL 0.71
83 FVIMFGWHL 0.72
84 RVIMFGWHL 0.73
85 FVFMFGWHF 0.74
86 RVFMFGWHF 0.75
87 FVYMFGWHF 0.78
88 RVYMFGWHF 0.79
89 FVIMFGWHF 0.8
90 FVFMFGRHI 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFMFGFHF

4.19

-11.88

-7.69
2 RPFMFGFHL

4.25

-11.93

-7.68
3 RPIMFGFHF

4.48

-12.14

-7.66
4 FPYMFGFHL

4.11

-11.39

-7.28
5 RPYMFGRHF

4.43

-11.69

-7.26
6 RPYMFGFHF

4.28

-11.36

-7.08
7 RPYMFGFHL

4.23

-11.21

-6.98
8 RPFMFGRHF

4.53

-11.48

-6.95
9 FPIMFGFHF

3.73

-10.53

-6.8
10 FPIMFGFHL

3.98

-10.75

-6.77
11 RPIMFGRHF

4.41

-11.11

-6.7
12 FPFMFGRHF

4.42

-11.04

-6.62
13 FPFMFGFHL

4.12

-10.71

-6.59
14 FPYMFGFHF

4.04

-10.55

-6.51
15 RPIMFGRHL

4.67

-11.04

-6.37
16 FPFMFGFHF

4.21

-10.43

-6.22
17 RPIMFGFHL

4.46

-10.63

-6.17
18 RPYMFGRHL

4.45

-10.57

-6.12
19 RPYMFGWHL

4.09

-10.08

-5.99
20 FPIMFGRHF

4.25

-10.16

-5.91
21 FPIMFGWHL

4.38

-10.21

-5.83
22 RPIMFGWHL

4.31

-9.88

-5.57
23 FPYMFGWHL

4.07

-9.63

-5.56
24 FPYMFGRHL

4.28

-9.76

-5.48
25 FPYMFGRHF

4.37

-9.72

-5.35
26 FPFMFGRHL

4.33

-9.55

-5.22
27 FPFMFGWHL

4.17

-9.2

-5.03
28 RPFMFGRHL

4.77

-9.73

-4.96
29 RPFMFGWHL

4.26

-8.94

-4.68
30 FPIMFGRHL

4.55

-8.84

-4.29

 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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