Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKA-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 2.510 ΔGbinding -1.162
TOTAL
 1.348
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.377
Van der Waals -3.627 Backbone clash 0.015
Electrostatics 0.240 Helix dipole 0.000
Solvation Polar 3.308 Water bridges -0.015
Solvation Hyd -5.067 Disulfide 0.000
VdW clashes 2.131 Electrost. Kon 0.266
Entropy sc 0.435 Part.cov.bonds 0.000
Entropy mc

2.065

 ΔGstability

43.741
       

Predicted ligand sequences for model [PIN3_1CKA-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_1CKA-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 KDRPKILRK 0.0
2 KDRPRILRK 0.0
3 KDRPKILPK 0.0
4 KDRPRILPK 0.0
5 NDRPRILPK 0.02
6 NDRPKILRK 0.02
7 NDRPKILPK 0.02
8 NDRPRILRK 0.02
9 KRRPRILPK 0.03
10 KRRPKILPK 0.03
11 KRRPRILRK 0.03
12 KRRPKILRK 0.03
13 NRRPKILPK 0.05
14 NRRPRILPK 0.05
15 NRRPKILRK 0.05
16 NRRPRILRK 0.05
17 TDRPKILRK 0.07
18 TDRPRILRK 0.07
19 TDRPRILPK 0.08
20 TDRPKILPK 0.08
21 KDRPHILRK 0.1
22 TRRPKILRK 0.1
23 KDRPHILPK 0.1
24 TRRPRILRK 0.1
25 TRRPRILPK 0.11
26 TRRPKILPK 0.11
27 NDRPHILRK 0.12
28 NDRPHILPK 0.12
29 KRRPHILRK 0.13
30 KRRPHILPK 0.13
31 NRRPHILRK 0.15
32 NRRPHILPK 0.15
33 TDRPHILPK 0.17
34 KDRPKPLRK 0.17
35 TDRPHILRK 0.17
36 KDRPRPLRK 0.17
37 KDRPRPLPK 0.18
38 KDRPKPLPK 0.18
39 NDRPRPLPK 0.19
40 NDRPKPLRK 0.19
41 NDRPRPLRK 0.19
42 NDRPKPLPK 0.19
43 KDRPKILHK 0.19
44 KDRPRILHK 0.19
45 TRRPHILRK 0.2
46 KRRPRPLRK 0.2
47 TRRPHILPK 0.2
48 KRRPKPLRK 0.2
49 KRRPKPLPK 0.21
50 NDRPKILHK 0.21
51 NDRPRILHK 0.21
52 KRRPRPLPK 0.21
53 KDRPRVLPK 0.22
54 KDRPKVLRK 0.22
55 NRRPKPLRK 0.22
56 KDRPRVLRK 0.22
57 NRRPRPLRK 0.22
58 KDRPKVLPK 0.22
59 KRRPKILHK 0.22
60 NRRPKPLPK 0.22
61 KRRPRILHK 0.22
62 NRRPRPLPK 0.22
63 NDRPRVLPK 0.24
64 NDRPKVLRK 0.24
65 NRRPRILHK 0.24
66 NDRPRVLRK 0.24
67 NRRPKILHK 0.24
68 NDRPKVLPK 0.24
69 TDRPRPLRK 0.25
70 KERPRILPK 0.25
71 KERPKILPK 0.25
72 KRRPKVLRK 0.25
73 KRRPRVLPK 0.25
74 KERPKILRK 0.25
75 TDRPKPLPK 0.25
76 TDRPRPLPK 0.25
77 KERPRILRK 0.25
78 KRRPKVLPK 0.25
79 TDRPKPLRK 0.25
80 KRRPRVLRK 0.25
81 TDRPRILHK 0.26
82 TDRPKILHK 0.26
83 KDRPHPLPK 0.27
84 NRRPKVLRK 0.27
85 NRRPRVLPK 0.27
86 NERPKILPK 0.27
87 NERPRILRK 0.27
88 NERPKILRK 0.27
89 KDRPHPLRK 0.27
90 NRRPKVLPK 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 NDRPRILPK

4.03

-8.11

-4.08
2 TDRPKILRK

3.91

-7.79

-3.88
3 NRRPRILPK

3.96

-7.8

-3.84
4 NRRPKILRK

3.82

-7.65

-3.83
5 NDRPRILRK

3.91

-7.69

-3.78
6 TDRPRILRK

3.78

-7.54

-3.76
7 KRRPRILRK

3.9

-7.65

-3.75
8 NDRPKILPK

3.95

-7.65

-3.7
9 NDRPHILPK

3.8

-7.43

-3.63
10 KDRPRILPK

3.75

-7.29

-3.54
11 KRRPRILPK

3.88

-7.31

-3.43
12 KDRPKILRK

3.66

-7.09

-3.43
13 KDRPHILPK

4.46

-7.85

-3.39
14 NRRPRILRK

4.02

-7.35

-3.33
15 NDRPHILRK

4.39

-7.72

-3.33
16 TDRPRILPK

3.84

-7.16

-3.32
17 TRRPKILRK

3.94

-7.19

-3.25
18 TRRPRILRK

3.92

-7.06

-3.14
19 KDRPKILPK

4.15

-7.28

-3.13
20 KRRPHILRK

4.2

-7.31

-3.11
21 KRRPHILPK

3.75

-6.82

-3.07
22 TRRPKILPK

4.38

-7.45

-3.07
23 TRRPRILPK

3.94

-6.81

-2.87
24 KDRPHILRK

3.74

-6.57

-2.83
25 NRRPKILPK

3.69

-6.39

-2.7
26 KRRPKILRK

5.6

-8.25

-2.65
27 TDRPKILPK

4.06

-6.58

-2.52
28 KDRPRILRK

7.33

-8.58

-1.25
29 KRRPKILPK

7.36

-8.41

-1.05
30 NDRPKILRK

7.38

-7.9

-0.52

 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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