Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-9.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 0.629 ΔGbinding 1.537
TOTAL
 2.166
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.456
Van der Waals -3.353 Backbone clash 0.018
Electrostatics 0.050 Helix dipole 0.000
Solvation Polar 3.878 Water bridges -0.055
Solvation Hyd -4.249 Disulfide 0.000
VdW clashes 2.482 Electrost. Kon 0.036
Entropy sc 0.700 Part.cov.bonds 0.000
Entropy mc

2.868

 ΔGstability

7.285
       

Predicted ligand sequences for model [PIN3_1ZX6-9.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_1ZX6-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFIPPMY 0.0
2 FPFIDPMY 0.0
3 FPRIPPMY 0.01
4 FPRIDPMY 0.01
5 FPFIPPFY 0.02
6 FPFIDPFY 0.02
7 FPRIDPFY 0.03
8 FPKIPPMY 0.03
9 FPRIPPFY 0.03
10 FPKIDPMY 0.03
11 FPKIDPFY 0.05
12 FPKIPPFY 0.05
13 KPFIDPMY 0.06
14 KPFIPPMY 0.06
15 KPRIPPMY 0.07
16 KPFIDPFY 0.07
17 KPRIDPMY 0.07
18 KPRIDPFY 0.08
19 KPFIPPFY 0.08
20 KPKIDPMY 0.09
21 KPRIPPFY 0.09
22 KPKIPPMY 0.09
23 KPKIPPFY 0.11
24 KPKIDPFY 0.11
25 FPFIPRMY 0.16
26 FPFIDRMY 0.16
27 FPFIPPKY 0.17
28 FPRIPRMY 0.17
29 FPRIDRMY 0.17
30 FPFIDPKY 0.17
31 FPFIPRFY 0.18
32 FPRIDPKY 0.18
33 FPFIDRFY 0.18
34 FPRIPPKY 0.18
35 FPRIPRFY 0.19
36 FPRIDRFY 0.19
37 FPKIDRMY 0.19
38 FPKIPRMY 0.19
39 FPKIDPKY 0.2
40 FPKIPPKY 0.2
41 FPKIDRFY 0.21
42 FPKIPRFY 0.21
43 KPFIDRMY 0.22
44 KPFIPRMY 0.22
45 KPRIPRMY 0.23
46 KPRIDRMY 0.23
47 KPFIPPKY 0.23
48 KPFIDPKY 0.23
49 KPFIDRFY 0.23
50 KPFIPRFY 0.24
51 FPFIFPMY 0.24
52 KPRIDPKY 0.24
53 KPRIPPKY 0.24
54 KPRIPRFY 0.24
55 KPRIDRFY 0.24
56 FPRIFPMY 0.25
57 KPKIDRMY 0.25
58 RPFIDPMY 0.25
59 KPKIPRMY 0.25
60 KPKIPPKY 0.26
61 RPRIDPMY 0.26
62 RPRIPPMY 0.26
63 KPKIDPKY 0.26
64 RPFIPPMY 0.26
65 FPFIFPFY 0.26
66 FPFMDPMY 0.27
67 FRFIPPMY 0.27
68 KPKIDRFY 0.27
69 FPKIFPMY 0.27
70 FRRIDPMY 0.27
71 FPFMPPMY 0.27
72 KPKIPRFY 0.27
73 RPFIDPFY 0.27
74 RPFIPPFY 0.27
75 FRFIDPMY 0.27
76 FPRIFPFY 0.27
77 FRRIPPMY 0.28
78 FPRMDPMY 0.28
79 FPRMPPMY 0.28
80 FRFIDPFY 0.28
81 RPRIDPFY 0.28
82 RPRIPPFY 0.28
83 FRRIDPFY 0.29
84 KPFIFPMY 0.29
85 RPKIPPMY 0.29
86 FPFMDPFY 0.29
87 RPKIDPMY 0.29
88 FRRIPPFY 0.29
89 FPFMPPFY 0.29
90 FPKIFPFY 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPRIPPMY

1.47

-8.21

-6.74
2 KPRIPPMY

0.94

-7.27

-6.33
3 FPRIPRMY

1.49

-7.72

-6.23
4 FPKIPPMY

1.22

-7.25

-6.03
5 FPFIPRMY

1.11

-7.1

-5.99
6 FPRIPPFY

1.68

-7.56

-5.88
7 KPKIPPMY

0.95

-6.83

-5.88
8 FPKIPPFY

1.79

-7.35

-5.56
9 KPFIPPMY

0.96

-6.48

-5.52
10 FPFIPPFY

1.99

-7.38

-5.39
11 FPFIPPMY

1.37

-6.67

-5.3
12 KPKIPPFY

1.31

-6.49

-5.18
13 KPRIPPFY

1.32

-6.43

-5.11
14 FPFIPPKY

1.33

-6.19

-4.86
15 FPKIDPMY

0.86

-5.49

-4.63
16 KPFIPPFY

1.21

-5.61

-4.4
17 FPRIDRMY

1.04

-5.17

-4.13
18 FPFIDRMY

1.25

-5.14

-3.89
19 FPRIDPMY

1.85

-5.52

-3.67
20 FPFIDPMY

1.17

-4.74

-3.57
21 KPKIDPFY

1.65

-4.92

-3.27
22 FPFIDPFY

2.25

-5.52

-3.27
23 FPFIDPKY

1.37

-4.62

-3.25
24 FPRIDPFY

1.69

-4.61

-2.92
25 KPRIDPFY

2.0

-4.91

-2.91
26 FPKIDPFY

1.57

-4.26

-2.69
27 KPRIDPMY

1.06

-3.52

-2.46
28 KPFIDPFY

1.46

-3.65

-2.19
29 KPFIDPMY

1.16

-3.33

-2.17
30 KPKIDPMY

0.77

-2.8

-2.03

 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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