Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKA-29.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 6.736 ΔGbinding 0.657
TOTAL
 7.393
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.679
Van der Waals -4.066 Backbone clash 0.015
Electrostatics 0.066 Helix dipole 0.000
Solvation Polar 4.390 Water bridges 0.000
Solvation Hyd -5.440 Disulfide 0.000
VdW clashes 4.566 Electrost. Kon 0.053
Entropy sc 0.976 Part.cov.bonds 0.000
Entropy mc

1.983

 ΔGstability

43.044
       

Predicted ligand sequences for model [PIN3_1CKA-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DLFPFFPRLH 0.0
2 DLFPFFPRIH 0.03
3 DLFPFFPRLR 0.03
4 DLFPFFPRIR 0.05
5 DFFPFFPRLH 0.07
6 DLFPFFRRLH 0.07
7 DFFPFFPRIH 0.09
8 DFFPFFPRLR 0.09
9 DLFPFFRRIH 0.1
10 DLFPFFKRLH 0.1
11 DLFPFFRRLR 0.1
12 ELFPFFPRLH 0.11
13 DLFPFHPRLH 0.12
14 DLFPFFKRIH 0.12
15 DLFPFFKRLR 0.12
16 DFFPFFPRIR 0.12
17 DLFFFFPRLH 0.13
18 DLFPFFRRIR 0.13
19 KLFPFFPRLH 0.13
20 DLFPFHPRLR 0.14
21 ELFPFFPRLR 0.14
22 DFFPFFRRLH 0.14
23 DLFPQFPRLH 0.14
24 DLFPFFPRLF 0.14
25 ELFPFFPRIH 0.14
26 DLFFFFPRLR 0.15
27 DLFPFFKRIR 0.15
28 DLFFFFPRIH 0.15
29 DLFPFHPRIH 0.15
30 KLFPFFPRLR 0.15
31 KLFPFFPRIH 0.16
32 DFFPFFKRLH 0.16
33 DLFPIFPRLH 0.16
34 DLFPFFPRIF 0.17
35 DLFPQFPRIH 0.17
36 DFFPFFRRIH 0.17
37 DLFPFHPRIR 0.17
38 DFFPFFRRLR 0.17
39 DLFPQFPRLR 0.17
40 ELFPFFPRIR 0.17
41 KLFPFFPRIR 0.18
42 DFFPFHPRLH 0.18
43 DLFFFFPRIR 0.18
44 EFFPFFPRLH 0.18
45 DFFPFFKRLR 0.18
46 ELFPFFRRLH 0.19
47 DFFFFFPRLH 0.19
48 DFFPFFRRIR 0.19
49 KFFPFFPRLH 0.19
50 DLFPIFPRIH 0.19
51 DLFPFHRRLH 0.19
52 DLFPIFPRLR 0.19
53 DFFPFFKRIH 0.19
54 DLFPQFPRIR 0.2
55 DLFFFFRRLH 0.2
56 KLFPFFRRLH 0.2
57 EFFPFFPRLR 0.2
58 EFFPFFPRIH 0.2
59 ELFPFFRRLR 0.21
60 DFFPFHPRIH 0.21
61 ELFPFFRRIH 0.21
62 ELFPFFKRLH 0.21
63 DLFPIFPRIR 0.21
64 DFFPFHPRLR 0.21
65 DFFPFFPRLF 0.21
66 DLFPFHKRLH 0.21
67 DFFPQFPRLH 0.21
68 DFFPFFKRIR 0.21
69 DFFFFFPRLR 0.22
70 DLFPFHRRLR 0.22
71 KFFPFFPRLR 0.22
72 DLFPQFRRLH 0.22
73 DLFPFHRRIH 0.22
74 KLFPFFKRLH 0.22
75 DLFPFFRRLF 0.22
76 DLFFFFKRLH 0.22
77 KFFPFFPRIH 0.22
78 DFFFFFPRIH 0.22
79 KLFPFFRRLR 0.23
80 ELFPFFKRLR 0.23
81 KLFPFFRRIH 0.23
82 ELFPFHPRLH 0.23
83 DLFFFFRRIH 0.23
84 EFFPFFPRIR 0.23
85 DFFPIFPRLH 0.23
86 DFFPFFPRIF 0.23
87 DLFFFFRRLR 0.23
88 DFFPQFPRLR 0.23
89 DLFPFFRRIF 0.24
90 DFFPQFPRIH 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ELFPFFPRLR

5.77

-10.54

-4.77
2 DLFFFFPRLR

4.98

-9.37

-4.39
3 DLFPFFRRLR

3.93

-8.16

-4.23
4 DLFFFFPRIH

4.55

-8.74

-4.19
5 DLFPFFPRLF

5.2

-9.36

-4.16
6 DLFPFFKRIH

4.66

-8.78

-4.12
7 KLFPFFPRLR

4.93

-8.92

-3.99
8 DLFPFFKRLH

4.95

-8.94

-3.99
9 ELFPFFPRLH

5.06

-9.04

-3.98
10 DLFPFFKRLR

5.59

-9.34

-3.75
11 ELFPFFPRIH

4.4

-8.15

-3.75
12 DLFPFFPRLR

5.45

-9.04

-3.59
13 DLFPFHPRIH

4.73

-8.31

-3.58
14 DLFPFFRRIR

5.12

-8.67

-3.55
15 DLFPFFKRIR

4.77

-8.19

-3.42
16 DLFPFHPRLH

4.71

-8.03

-3.32
17 DLFPFFPRIR

5.85

-9.1

-3.25
18 DLFPFFRRIH

4.78

-7.8

-3.02
19 KLFPFFPRLH

4.8

-7.73

-2.93
20 DLFPQFPRLH

5.77

-8.64

-2.87
21 DLFPFFPRIH

4.55

-7.39

-2.84
22 DLFPFFPRLH

4.65

-7.47

-2.82
23 DFFPFFPRLR

4.77

-7.53

-2.76
24 DLFPFHPRLR

6.09

-8.81

-2.72
25 DLFFFFPRLH

5.51

-8.2

-2.69
26 DFFPFFPRLH

4.87

-7.06

-2.19
27 DFFPFFRRLH

5.04

-7.14

-2.1
28 DFFPFFPRIH

4.5

-6.24

-1.74
29 DLFPFFRRLH

7.91

-8.7

-0.79
30 DFFPFFPRIR

4.63

-5.41

-0.78

 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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