Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKB-12.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 2.679 ΔGbinding -1.266
TOTAL
 1.413
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.405
Van der Waals -1.981 Backbone clash 0.000
Electrostatics 0.019 Helix dipole 0.000
Solvation Polar 3.152 Water bridges -0.047
Solvation Hyd -2.575 Disulfide 0.000
VdW clashes 0.027 Electrost. Kon -0.032
Entropy sc 0.266 Part.cov.bonds 0.000
Entropy mc

1.274

 ΔGstability

32.343
       

Predicted ligand sequences for model [PIN3_1CKB-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRWMPFWR 0.0
2 WRWMPFMR 0.01
3 WRWMRFWR 0.03
4 WRWMRFMR 0.04
5 WWWMPFWR 0.04
6 WKWMPFWR 0.04
7 WKWMPFMR 0.05
8 WWWMPFMR 0.05
9 WRWRPFWR 0.06
10 WWWMRFWR 0.07
11 WRWRPFMR 0.07
12 WKWMRFWR 0.07
13 WKWMRFMR 0.08
14 WWWMRFMR 0.08
15 WRWRRFWR 0.09
16 WWWRPFWR 0.09
17 WRWRRFMR 0.1
18 WKWRPFWR 0.1
19 WKWRPFMR 0.11
20 WWWRPFMR 0.11
21 WWWRRFWR 0.12
22 WKWRRFWR 0.12
23 WKWRRFMR 0.14
24 WRWKPFWR 0.14
25 WWWRRFMR 0.14
26 WRWKPFMR 0.16
27 WRWKRFWR 0.17
28 WWWKPFWR 0.18
29 WKWKPFWR 0.18
30 WRWKRFMR 0.19
31 WRWMHFWR 0.19
32 WWWKPFMR 0.2
33 WKWKPFMR 0.2
34 WRWMHFMR 0.2
35 WKWKRFWR 0.21
36 WRWMPFWK 0.21
37 WWWKRFWR 0.21
38 WWWKRFMR 0.22
39 WWWMHFWR 0.23
40 WKWKRFMR 0.23
41 WRWMPFMK 0.23
42 WKWMHFWR 0.23
43 WWWMHFMR 0.24
44 WRWMRFWK 0.24
45 WKWMHFMR 0.24
46 WWWMPFWK 0.25
47 WRWRHFWR 0.25
48 WRWMRFMK 0.26
49 WRWRHFMR 0.26
50 WKWMPFWK 0.26
51 WKWMPFMK 0.27
52 WRWRPFWK 0.27
53 WWWMPFMK 0.27
54 WKWMRFWK 0.28
55 WWWMRFWK 0.28
56 WRWRPFMK 0.28
57 WWWRHFWR 0.28
58 WKWRHFWR 0.29
59 WWWMRFMK 0.29
60 WKWMRFMK 0.3
61 WKWRHFMR 0.3
62 WWWRHFMR 0.3
63 WRWRRFWK 0.3
64 WRWRRFMK 0.31
65 WWWRPFWK 0.31
66 WKWRPFWK 0.31
67 WKWRPFMK 0.32
68 WWWRPFMK 0.32
69 WWWRRFWK 0.34
70 WKWRRFWK 0.34
71 WRWKHFWR 0.34
72 WKWRRFMK 0.35
73 WRWKHFMR 0.35
74 WWWRRFMK 0.35
75 YRWMPFWR 0.36
76 WRWKPFWK 0.36
77 WRWKPFMK 0.37
78 YRWMPFMR 0.37
79 WWWKHFWR 0.37
80 WKWKHFWR 0.38
81 WWWKHFMR 0.39
82 WKWKHFMR 0.39
83 WRWKRFWK 0.39
84 YRWMRFWR 0.39
85 YRWMRFMR 0.4
86 WRWMPFWH 0.4
87 WRWKRFMK 0.4
88 WRWMPKWR 0.4
89 WWWKPFWK 0.4
90 YWWMPFWR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRWRPFWR

4.75

-11.35

-6.6
2 WWWRRFMR

4.6

-10.9

-6.3
3 WWWRRFWR

5.0

-10.8

-5.8
4 WRWMPFWR

4.57

-9.96

-5.39
5 WWWKPFWR

4.93

-9.99

-5.06
6 WKWRRFMR

4.9

-9.55

-4.65
7 WKWMPFMR

4.81

-9.29

-4.48
8 WWWRPFWR

5.28

-9.7

-4.42
9 WWWMPFWR

5.49

-9.88

-4.39
10 WWWMPFMR

4.61

-8.95

-4.34
11 WWWMRFMR

4.97

-9.22

-4.25
12 WWWRPFMR

5.07

-9.21

-4.14
13 WRWKPFMR

4.72

-8.8

-4.08
14 WKWRRFWR

5.36

-9.28

-3.92
15 WRWMRFWR

5.34

-9.08

-3.74
16 WKWMRFMR

5.16

-8.85

-3.69
17 WKWRPFWR

4.31

-7.94

-3.63
18 WRWRRFWR

4.61

-8.18

-3.57
19 WRWKRFWR

4.38

-7.78

-3.4
20 WWWMRFWR

4.42

-7.69

-3.27
21 WRWRPFMR

3.92

-7.16

-3.24
22 WKWMRFWR

4.56

-7.58

-3.02
23 WRWMRFMR

4.36

-7.32

-2.96
24 WRWRRFMR

4.76

-7.67

-2.91
25 WRWMPFMR

4.23

-7.06

-2.83
26 WKWKPFWR

4.97

-7.61

-2.64
27 WRWKPFWR

4.98

-7.44

-2.46
28 WKWMPFWR

4.08

-6.52

-2.44
29 WKWRPFMR

4.73

-7.13

-2.4
30 WRWKRFMR

4.51

-6.72

-2.21

 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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