Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-19.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 1.882 ΔGbinding 2.582
TOTAL
 4.464
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.187
Van der Waals -4.335 Backbone clash 0.009
Electrostatics 0.164 Helix dipole 0.000
Solvation Polar 4.316 Water bridges 0.013
Solvation Hyd -6.224 Disulfide 0.000
VdW clashes 3.877 Electrost. Kon 0.177
Entropy sc 0.884 Part.cov.bonds 0.000
Entropy mc

4.797

 ΔGstability

12.492
       

Predicted ligand sequences for model [PIN3_1ZX6-19.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_1ZX6-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFMWGFHW 0.0
2 RRYMWGFHW 0.04
3 RRFMWGRHW 0.06
4 RRIMWGFHW 0.07
5 RRFMWGWHW 0.07
6 RRYMWGRHW 0.1
7 RRYMWGWHW 0.11
8 RRIMWGRHW 0.12
9 RRIMWGWHW 0.14
10 RRFMWGFWW 0.29
11 RRYMWGFWW 0.34
12 RRFPWGFHW 0.35
13 RRFMWGRWW 0.35
14 RRFMWGWWW 0.36
15 RRIMWGFWW 0.36
16 RRFMIGFHW 0.36
17 RRYMWGRWW 0.39
18 RRYPWGFHW 0.4
19 RRYMWGWWW 0.41
20 RRYMIGFHW 0.41
21 RRFPWGRHW 0.41
22 RRFRWGFHW 0.41
23 RRIMWGRWW 0.42
24 RRFMIGRHW 0.42
25 RRIPWGFHW 0.42
26 RRFPWGWHW 0.42
27 RRFMIGWHW 0.43
28 RRIMIGFHW 0.43
29 RRIMWGWWW 0.43
30 RRFMLGFHW 0.44
31 RRFMWGFHF 0.44
32 RRYRWGFHW 0.45
33 RRYPWGRHW 0.45
34 RRYMIGRHW 0.46
35 RRYPWGWHW 0.46
36 RRFRWGRHW 0.46
37 RRYMIGWHW 0.47
38 RRIPWGRHW 0.48
39 RRIRWGFHW 0.48
40 RRFRWGWHW 0.48
41 RRYMLGFHW 0.48
42 RRIMIGRHW 0.49
43 RRIPWGWHW 0.49
44 RRFMLGRHW 0.49
45 RRYMWGFHF 0.49
46 RRFMWGRHF 0.5
47 RRIMIGWHW 0.5
48 RRFMLGWHW 0.51
49 RRFMWGWHF 0.51
50 RRIMWGFHF 0.51
51 RRIMLGFHW 0.51
52 RRYRWGRHW 0.51
53 RRYRWGWHW 0.52
54 RRIRWGRHW 0.53
55 RRYMLGRHW 0.54
56 RRYMWGRHF 0.54
57 RRYMLGWHW 0.55
58 RRIRWGWHW 0.55
59 RRIMLGRHW 0.56
60 RRYMWGWHF 0.56
61 RRIMWGRHF 0.57
62 RRIMWGWHF 0.58
63 RRIMLGWHW 0.58
64 RRFPWGFWW 0.65
65 RRFMIGFWW 0.66
66 RRYPWGFWW 0.69
67 RRYMIGFWW 0.7
68 RRFPWGRWW 0.7
69 RRFRWGFWW 0.7
70 RRIPWGFWW 0.71
71 RRFPWGWWW 0.71
72 RRFMIGRWW 0.71
73 RRFPIGFHW 0.71
74 RRFMIGWWW 0.72
75 RRIMIGFWW 0.72
76 RRFMLGFWW 0.73
77 RRYPWGRWW 0.74
78 RRFMWGFWF 0.74
79 RRYRWGFWW 0.74
80 RRYMIGRWW 0.75
81 RRYPWGWWW 0.76
82 RRFRWGRWW 0.76
83 RRYPIGFHW 0.76
84 RRFRIGFHW 0.77
85 RRIRWGFWW 0.77
86 RRIPWGRWW 0.77
87 RRYMIGWWW 0.77
88 RRFRWGWWW 0.77
89 RRYMLGFWW 0.77
90 RRFPIGRHW 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRIMWGWWW

3.24

-8.3

-5.06
2 RRYMWGRWW

3.65

-8.7

-5.05
3 RRYMIGFHW

3.97

-8.96

-4.99
4 RRIMWGRHW

3.67

-8.55

-4.88
5 RRYMWGFWW

3.84

-8.62

-4.78
6 RRYMWGRHW

3.53

-8.29

-4.76
7 RRIMWGFHW

3.6

-8.29

-4.69
8 RRIMWGFWW

3.97

-8.58

-4.61
9 RRYMWGFHW

3.91

-8.48

-4.57
10 RRYPWGFHW

3.32

-7.76

-4.44
11 RRYMWGWWW

3.39

-7.65

-4.26
12 RRFPWGRHW

3.24

-7.42

-4.18
13 RRFMWGFWW

3.95

-8.12

-4.17
14 RRFPWGWHW

3.58

-7.67

-4.09
15 RRIMWGWHW

3.5

-7.59

-4.09
16 RRIMIGFHW

3.25

-7.24

-3.99
17 RRFMWGFHW

3.21

-7.1

-3.89
18 RRFMIGRHW

3.51

-7.3

-3.79
19 RRIPWGFHW

3.36

-7.12

-3.76
20 RRFPWGFHW

3.31

-7.06

-3.75
21 RRFMWGWWW

3.14

-6.87

-3.73
22 RRFMWGRWW

3.38

-7.08

-3.7
23 RRFMWGWHW

3.56

-7.26

-3.7
24 RRIMWGRWW

3.25

-6.75

-3.5
25 RRYMWGWHW

3.2

-6.23

-3.03
26 RRFMLGFHW

3.22

-5.91

-2.69
27 RRFMIGFHW

3.18

-5.85

-2.67
28 RRFMIGWHW

3.23

-5.77

-2.54
29 RRFMWGRHW

3.73

-6.25

-2.52
30 RRFRWGFHW

3.34

-5.54

-2.2

 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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