Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-25.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
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 3.907 ΔGbinding 5.060
TOTAL
 8.967
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.494
Van der Waals -4.000 Backbone clash 0.003
Electrostatics 0.135 Helix dipole 0.000
Solvation Polar 4.460 Water bridges -0.063
Solvation Hyd -5.399 Disulfide 0.000
VdW clashes 6.604 Electrost. Kon 0.148
Entropy sc 0.606 Part.cov.bonds 0.000
Entropy mc

3.352

 ΔGstability

13.750
       

Predicted ligand sequences for model [PIN3_1YNZ-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRPPRGRRF 0.0
2 RRPPRGRRF 0.01
3 HRPPRGRRF 0.01
4 KRPKRGRRF 0.2
5 RRPKRGRRF 0.21
6 HRPKRGRRF 0.21
7 HRDPRGRRF 0.23
8 KRDPRGRRF 0.23
9 RRDPRGRRF 0.23
10 KRPMRGRRF 0.28
11 HRPMRGRRF 0.29
12 KRPPMGRRF 0.29
13 RRPMRGRRF 0.29
14 RRPPMGRRF 0.3
15 HRPPMGRRF 0.3
16 KRPPRGRRY 0.33
17 KRPPKGRRF 0.34
18 RRPPRGRRY 0.34
19 HRPPRGRRY 0.34
20 HRPPKGRRF 0.35
21 RRPPKGRRF 0.35
22 KRPPRGDRF 0.36
23 RRPPRGDRF 0.37
24 HRPPRGDRF 0.37
25 KRPPRGKRF 0.39
26 RRPPRGKRF 0.39
27 HRPPRGKRF 0.4
28 KRYPRGRRF 0.41
29 RRYPRGRRF 0.42
30 KRPPRGRWF 0.42
31 HRYPRGRRF 0.42
32 RRPPRGRWF 0.43
33 KRDKRGRRF 0.43
34 HRPPRGRWF 0.43
35 HRDKRGRRF 0.44
36 RRDKRGRRF 0.44
37 KRPKMGRRF 0.5
38 KRDMRGRRF 0.51
39 RRPKMGRRF 0.51
40 HRPKMGRRF 0.51
41 RRDMRGRRF 0.51
42 HRDMRGRRF 0.51
43 KRDPMGRRF 0.52
44 RRDPMGRRF 0.53
45 HRDPMGRRF 0.53
46 RRPKRGRRY 0.54
47 KRPKRGRRY 0.54
48 KRPKKGRRF 0.54
49 HRPKRGRRY 0.54
50 RRPKKGRRF 0.55
51 HRPKKGRRF 0.55
52 HRDPRGRRY 0.56
53 KRDPRGRRY 0.56
54 KRDPKGRRF 0.56
55 RRDPRGRRY 0.56
56 HRDPKGRRF 0.57
57 KRPKRGDRF 0.57
58 RRPKRGDRF 0.57
59 RRDPKGRRF 0.57
60 HRPKRGDRF 0.57
61 RRPMMGRRF 0.58
62 KRPMMGRRF 0.58
63 HRPMMGRRF 0.58
64 KRPKRGKRF 0.59
65 RRDPRGDRF 0.59
66 HRDPRGDRF 0.59
67 KRDPRGDRF 0.59
68 HRPKRGKRF 0.6
69 RRPKRGKRF 0.6
70 KRPMRGRRY 0.61
71 KRDPRGKRF 0.61
72 HRYKRGRRF 0.62
73 KRPKRGRWF 0.62
74 HRPMRGRRY 0.62
75 RRYKRGRRF 0.62
76 HRDPRGKRF 0.62
77 RRPMRGRRY 0.62
78 KRYKRGRRF 0.62
79 RRDPRGKRF 0.62
80 KRPMKGRRF 0.62
81 RRPPMGRRY 0.63
82 RRPKRGRWF 0.63
83 HRPKRGRWF 0.63
84 HRPPMGRRY 0.63
85 KRPPMGRRY 0.63
86 RRPMKGRRF 0.63
87 HRPMKGRRF 0.63
88 KRPMRGDRF 0.64
89 RRDPRGRWF 0.65
90 HRDPRGRWF 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRPPRGKRF

2.27

-10.28

-8.01
2 KRPKRGRRF

2.13

-9.8

-7.67
3 RRPPRGKRF

2.08

-9.5

-7.42
4 HRPPRGDRF

1.94

-9.24

-7.3
5 RRPKRGRRF

2.05

-9.33

-7.28
6 HRPKRGRRF

2.22

-9.47

-7.25
7 KRPPMGRRF

2.22

-9.29

-7.07
8 KRPPRGRRY

2.14

-9.18

-7.04
9 HRPPMGRRF

2.37

-9.35

-6.98
10 HRPPRGKRF

2.26

-9.19

-6.93
11 KRPMRGRRF

2.29

-9.21

-6.92
12 KRPPKGRRF

2.54

-9.45

-6.91
13 HRPPRGRRY

2.51

-9.38

-6.87
14 HRPPKGRRF

2.09

-8.81

-6.72
15 RRPPMGRRF

2.25

-8.91

-6.66
16 RRPMRGRRF

2.17

-8.68

-6.51
17 RRPPRGRRF

2.42

-8.93

-6.51
18 HRPPRGRRF

2.22

-8.62

-6.4
19 KRPPRGRRF

2.27

-8.57

-6.3
20 RRPPKGRRF

2.03

-8.32

-6.29
21 RRPPRGDRF

2.3

-8.57

-6.27
22 KRDPRGRRF

2.35

-8.36

-6.01
23 KRYPRGRRF

2.53

-8.47

-5.94
24 RRDPRGRRF

2.48

-8.42

-5.94
25 HRPMRGRRF

2.23

-8.06

-5.83
26 RRPPRGRRY

2.25

-7.9

-5.65
27 HRDPRGRRF

2.27

-7.71

-5.44
28 RRYPRGRRF

2.59

-7.46

-4.87
29 KRPPRGRWF

2.91

-7.63

-4.72
30 KRPPRGDRF

2.2

-6.74

-4.54

 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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