Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKB-26.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 2.815 ΔGbinding -2.869
TOTAL
 -0.054
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.453
Van der Waals -3.760 Backbone clash 0.012
Electrostatics 0.233 Helix dipole 0.000
Solvation Polar 3.821 Water bridges -0.023
Solvation Hyd -5.114 Disulfide 0.000
VdW clashes 0.150 Electrost. Kon 0.236
Entropy sc 0.449 Part.cov.bonds 0.000
Entropy mc

1.959

 ΔGstability

28.914
       

Predicted ligand sequences for model [PIN3_1CKB-26.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_1CKB-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRIPRLIPR 0.0
2 RRIKRLIPR 0.0
3 KRIPRLIPR 0.0
4 KRIKRLIPR 0.0
5 TRIPRLIPR 0.01
6 TRIKRLIPR 0.01
7 TDIKRLIPR 0.03
8 KDIPRLIPR 0.03
9 RDIPRLIPR 0.03
10 RDIKRLIPR 0.03
11 TDIPRLIPR 0.03
12 KDIKRLIPR 0.03
13 RRIKKLIPR 0.04
14 KRIPKLIPR 0.04
15 TRIKKLIPR 0.04
16 KRIKKLIPR 0.04
17 RRIPKLIPR 0.04
18 TRIPKLIPR 0.04
19 TDIPKLIPR 0.07
20 KDIPKLIPR 0.07
21 RDIKKLIPR 0.07
22 KDIKKLIPR 0.07
23 TDIKKLIPR 0.07
24 TRIKRLIRR 0.07
25 RDIPKLIPR 0.07
26 RRIKRLIRR 0.07
27 KRIKRLIRR 0.07
28 TRIPRLIRR 0.07
29 RRIPRLIRR 0.07
30 KRIPRLIRR 0.07
31 RRIPKLIRR 0.1
32 RRIKKLIRR 0.1
33 KDIKRLIRR 0.1
34 KDIPRLIRR 0.1
35 TDIKRLIRR 0.1
36 RDIKRLIRR 0.1
37 RDIPRLIRR 0.1
38 TDIPRLIRR 0.1
39 KRIKKLIRR 0.1
40 KRIPKLIRR 0.1
41 TRIKKLIRR 0.11
42 TRIPKLIRR 0.11
43 KRIPHLIPR 0.12
44 KRIKHLIPR 0.12
45 RRIKHLIPR 0.12
46 RRIPHLIPR 0.12
47 TRIPHLIPR 0.13
48 KDIPKLIRR 0.13
49 TRIKHLIPR 0.13
50 KDIKKLIRR 0.13
51 RDIKKLIRR 0.13
52 RDIPKLIRR 0.13
53 TDIPKLIRR 0.14
54 TDIKKLIRR 0.14
55 RRMPRLIPR 0.14
56 RRMKRLIPR 0.14
57 KDIKHLIPR 0.15
58 TRMKRLIPR 0.15
59 TRMPRLIPR 0.15
60 RDIKHLIPR 0.15
61 KRMKRLIPR 0.15
62 RDIPHLIPR 0.15
63 KDIPHLIPR 0.15
64 KRMPRLIPR 0.15
65 TDIPHLIPR 0.16
66 TDIKHLIPR 0.16
67 RDMKRLIPR 0.17
68 RDMPRLIPR 0.17
69 RRMKKLIPR 0.18
70 TRMPKLIPR 0.18
71 TDMPRLIPR 0.18
72 KDMKRLIPR 0.18
73 KDMPRLIPR 0.18
74 TRMKKLIPR 0.18
75 KRMPKLIPR 0.18
76 TDMKRLIPR 0.18
77 KRMKKLIPR 0.18
78 RRMPKLIPR 0.18
79 RRIPHLIRR 0.19
80 KRIPHLIRR 0.19
81 TRIKHLIRR 0.19
82 RRPPRLIPR 0.19
83 RRIKHLIRR 0.19
84 KRIKHLIRR 0.19
85 RRPKRLIPR 0.19
86 TRIPHLIRR 0.19
87 TRPPRLIPR 0.2
88 KRPPRLIPR 0.2
89 KRPKRLIPR 0.2
90 TRPKRLIPR 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRIPRLIRR

2.42

-8.46

-6.04
2 TRIKRLIRR

3.15

-9.13

-5.98
3 RDIPKLIPR

3.38

-9.25

-5.87
4 KRIKRLIRR

2.8

-8.65

-5.85
5 TDIPKLIPR

3.22

-8.94

-5.72
6 KRIPRLIPR

3.31

-8.97

-5.66
7 TDIPRLIPR

3.61

-9.26

-5.65
8 TRIPRLIPR

3.19

-8.47

-5.28
9 RRIPKLIPR

3.5

-8.75

-5.25
10 RDIPRLIPR

4.12

-9.31

-5.19
11 TRIPRLIRR

4.01

-9.2

-5.19
12 TRIPKLIPR

3.76

-8.94

-5.18
13 RRIPRLIRR

1.96

-7.12

-5.16
14 KDIPRLIPR

2.93

-8.09

-5.16
15 RDIKRLIPR

3.49

-8.48

-4.99
16 TDIKRLIPR

2.75

-7.73

-4.98
17 RRIKKLIPR

3.34

-8.24

-4.9
18 KDIKKLIPR

2.98

-7.88

-4.9
19 RDIKKLIPR

3.09

-7.9

-4.81
20 KRIPKLIPR

3.68

-8.48

-4.8
21 RRIKRLIRR

2.46

-7.26

-4.8
22 KDIKRLIPR

3.14

-7.91

-4.77
23 KDIPKLIPR

4.14

-8.72

-4.58
24 RRIPRLIPR

3.97

-8.53

-4.56
25 KRIKRLIPR

3.07

-7.56

-4.49
26 RRIKRLIPR

3.42

-7.82

-4.4
27 TRIKRLIPR

3.25

-7.28

-4.03
28 TRIKKLIPR

4.06

-7.29

-3.23
29 TDIKKLIPR

3.87

-6.85

-2.98
30 KRIKKLIPR

3.56

-6.41

-2.85

 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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