Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.313 ΔGbinding 5.822
TOTAL
 6.135
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.514
Van der Waals -3.203 Backbone clash 0.017
Electrostatics 0.103 Helix dipole 0.000
Solvation Polar 4.431 Water bridges -0.006
Solvation Hyd -4.139 Disulfide 0.000
VdW clashes 6.924 Electrost. Kon 0.104
Entropy sc 1.460 Part.cov.bonds 0.000
Entropy mc

2.683

 ΔGstability

11.474
       

Predicted ligand sequences for model [PIN3_1ZX6-13.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_1ZX6-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKFTFRWR 0.0
2 RKFTFRFR 0.0
3 RKYTFRWR 0.03
4 RKYTFRFR 0.04
5 RKPTFRFR 0.05
6 RKPTFRWR 0.05
7 RKFTGRWR 0.22
8 RKFTGRFR 0.22
9 RKFTFRIR 0.22
10 RKFTPRFR 0.22
11 RKFTPRWR 0.22
12 RPFTFRWR 0.23
13 RPFTFRFR 0.23
14 RKYTGRWR 0.25
15 RKYTPRWR 0.25
16 RKYTPRFR 0.25
17 RKYTFRIR 0.25
18 RPYTFRWR 0.26
19 RKYTGRFR 0.26
20 RKPTFRIR 0.27
21 RKPTGRWR 0.27
22 RPYTFRFR 0.27
23 RKPTPRFR 0.27
24 RKPTGRFR 0.27
25 RKPTPRWR 0.27
26 RPPTFRFR 0.28
27 RPPTFRWR 0.28
28 RKFTFRFW 0.37
29 RKFTFRWW 0.37
30 RKFRFRFR 0.4
31 RFFTFRWR 0.4
32 RKFRFRWR 0.4
33 RKYTFRWW 0.4
34 RKYTFRFW 0.4
35 RFFTFRFR 0.41
36 RKFTFPWR 0.41
37 RKPTFRFW 0.42
38 RKFTFPFR 0.42
39 RKPTFRWW 0.42
40 RKFTPRIR 0.43
41 RKYRFRWR 0.43
42 RKYRFRFR 0.43
43 RFYTFRFR 0.44
44 RKFTGRIR 0.44
45 RFYTFRWR 0.44
46 RPFTFRIR 0.45
47 RPFTPRFR 0.45
48 RKPRFRFR 0.45
49 RKYTFPWR 0.45
50 RKPRFRWR 0.45
51 RKYTFPFR 0.45
52 RPFTGRFR 0.45
53 RFPTFRWR 0.45
54 RPFTGRWR 0.45
55 RPFTPRWR 0.45
56 RKPTFPWR 0.46
57 RFPTFRFR 0.46
58 RKYTGRIR 0.47
59 RKPTFPFR 0.47
60 RKYTPRIR 0.47
61 RPYTFRIR 0.48
62 RPYTPRWR 0.48
63 RPYTGRWR 0.48
64 RPYTPRFR 0.48
65 RKPTGRIR 0.49
66 RKPTPRIR 0.49
67 RPYTGRFR 0.49
68 RPPTFRIR 0.5
69 RPPTPRFR 0.5
70 RPPTPRWR 0.5
71 RPPTGRFR 0.5
72 RPPTGRWR 0.5
73 RKFTPRWW 0.58
74 RKFTGRFW 0.59
75 RKFTGRWW 0.59
76 RKFTFRIW 0.59
77 RKFTPRFW 0.59
78 RPFTFRWW 0.6
79 RPFTFRFW 0.6
80 RKFRPRFR 0.61
81 RKFRPRWR 0.61
82 RKFRFRIR 0.61
83 RFFTFRIR 0.62
84 RFFTPRFR 0.62
85 RKYTGRWW 0.62
86 RKFRGRFR 0.62
87 RKYTPRWW 0.62
88 RKYTPRFW 0.62
89 RFFTPRWR 0.62
90 RKYTGRFW 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKPTPRFR

1.09

-5.25

-4.16
2 RKFTPRWR

1.02

-5.06

-4.04
3 RKFTPRFR

0.99

-4.79

-3.8
4 RKFRFRFR

2.12

-5.78

-3.66
5 RKYTPRFR

1.02

-4.66

-3.64
6 RKYTGRFR

1.25

-4.63

-3.38
7 RKYTPRWR

0.88

-4.06

-3.18
8 RPYTFRWR

0.87

-3.9

-3.03
9 RPFTFRFR

0.99

-3.92

-2.93
10 RKPTPRWR

0.79

-3.7

-2.91
11 RKFTGRFR

1.23

-3.9

-2.67
12 RPYTFRFR

1.6

-4.15

-2.55
13 RKPTGRFR

0.9

-3.4

-2.5
14 RPPTFRFR

1.04

-3.51

-2.47
15 RKFTGRWR

0.66

-3.09

-2.43
16 RKYTGRWR

1.73

-3.84

-2.11
17 RKPTGRWR

1.22

-3.2

-1.98
18 RKFTFRWW

1.14

-3.07

-1.93
19 RPFTFRWR

1.21

-3.12

-1.91
20 RKFTFRFW

1.21

-3.08

-1.87
21 RKPTFRFR

1.45

-2.8

-1.35
22 RKPTFRIR

1.49

-2.74

-1.25
23 RKFTFRFR

1.29

-2.48

-1.19
24 RKFTFRWR

1.27

-2.39

-1.12
25 RPPTFRWR

1.75

-2.74

-0.99
26 RKPTFRWR

1.21

-2.16

-0.95
27 RKYTFRWR

0.94

-1.77

-0.83
28 RKYTFRFR

1.28

-1.61

-0.33
29 RKYTFRIR

1.31

-1.54

-0.23
30 RKFTFRIR

1.29

-1.36

-0.07

 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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