Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-27.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
G
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 0.330 ΔGbinding 0.287
TOTAL
 0.617
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.600 Torsional clash 0.186
Van der Waals -4.418 Backbone clash 0.093
Electrostatics -0.173 Helix dipole 0.000
Solvation Polar 5.359 Water bridges 0.019
Solvation Hyd -5.548 Disulfide 0.000
VdW clashes 3.932 Electrost. Kon -0.221
Entropy sc 0.322 Part.cov.bonds 0.000
Entropy mc

2.066

 ΔGstability

12.334
       

Predicted ligand sequences for model [YSC84_2A08-27.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).
 
  YSC84_2A08-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHPPDKWMR 0.0
2 RHPPDKWMK 0.02
3 RHRPDKWMR 0.02
4 RHRPDKWMK 0.04
5 RHPPDKPMR 0.04
6 RHPPDKMMR 0.05
7 RHRPDKPMR 0.06
8 RHPPDKPMK 0.06
9 RHRPDKMMR 0.07
10 RHPPDKMMK 0.07
11 RHRPDKPMK 0.08
12 RHRPDKMMK 0.09
13 RHFPDKWMR 0.1
14 RHPPDKWMW 0.1
15 RHFPDKWMK 0.12
16 RHPPDMWMR 0.12
17 RHRPDKWMW 0.12
18 RHPPDMWMK 0.14
19 RHFPDKPMR 0.14
20 RHRPDMWMR 0.14
21 RHPPDKPMW 0.14
22 RHPPWKWMR 0.15
23 RHPPDKMMW 0.15
24 RHFPDKMMR 0.15
25 RHPPDMPMR 0.16
26 RHRPDKPMW 0.16
27 RHFPDKPMK 0.16
28 RHRPDKMMW 0.17
29 RHPPWKWMK 0.17
30 RHFPDKMMK 0.17
31 RHPPDMMMR 0.17
32 RHRPWKWMR 0.17
33 RHRPDMWMK 0.17
34 RHPPDMPMK 0.18
35 RHRPDMPMR 0.18
36 RHPPWKPMR 0.18
37 RHPPDMMMK 0.19
38 RHRPWKWMK 0.19
39 RHRPDMMMR 0.2
40 RHRPDMPMK 0.2
41 RHPPWKMMR 0.2
42 RHFPDKWMW 0.2
43 RHPPDWWMR 0.2
44 RHPPDKWHR 0.2
45 RHPPWKPMK 0.2
46 RHRPWKPMR 0.21
47 RHRPDMMMK 0.22
48 RHRPDWWMR 0.22
49 RHFPDMWMR 0.22
50 RHPPWKMMK 0.22
51 RHRPWKMMR 0.22
52 RHPPDWWMK 0.22
53 RHPPDKWHK 0.22
54 RHPPDMWMW 0.22
55 RHRPDKWHR 0.23
56 RHRPWKPMK 0.23
57 RHPPDWPMR 0.23
58 RHPPFKWMR 0.23
59 RHRPDWWMK 0.24
60 RHRPWKMMK 0.24
61 RHPPDKPHR 0.24
62 RHFPDKPMW 0.24
63 RHFPWKWMR 0.25
64 RHRPDKWHK 0.25
65 RHPPDKMHR 0.25
66 RHPPWKWMW 0.25
67 RHFPDMWMK 0.25
68 RHFPDKMMW 0.25
69 RHPPFKWMK 0.25
70 RHRPFKWMR 0.25
71 RHRPDMWMW 0.25
72 RHPPDWMMR 0.25
73 RHFPDMPMR 0.26
74 RHPPDWPMK 0.26
75 RHPPFKPMR 0.26
76 RHRPDWPMR 0.26
77 RHPPDMPMW 0.26
78 RHPPDKPHK 0.26
79 RHRPDKPHR 0.26
80 RHFPWKWMK 0.27
81 RHPPDKMHK 0.27
82 RHFPDMMMR 0.27
83 RHPPWMWMR 0.27
84 RHPPDMMMW 0.27
85 RHRPWKWMW 0.27
86 RHRPDWMMR 0.27
87 RHRPFKWMK 0.27
88 RHPPDWMMK 0.27
89 RHFPDMPMK 0.28
90 RHRPDMPMW 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHRPDKMMW

2.67

-10.46

-7.79
2 RHPPDKMMK

3.06

-10.75

-7.69
3 RHPPDKMMR

3.2

-10.77

-7.57
4 RHRPDKMMR

2.56

-9.89

-7.33
5 RHFPDKMMK

2.54

-9.49

-6.95
6 RHPPDMPMR

2.89

-9.69

-6.8
7 RHRPDKPMR

2.51

-9.25

-6.74
8 RHPPDKPMW

2.99

-9.5

-6.51
9 RHRPDKWMW

3.85

-10.3

-6.45
10 RHRPDKPMK

3.12

-9.49

-6.37
11 RHRPDKMMK

3.16

-9.52

-6.36
12 RHRPDKPMW

3.14

-9.22

-6.08
13 RHPPDMWMK

4.26

-10.28

-6.02
14 RHPPDKPMR

3.49

-9.33

-5.84
15 RHPPDMWMR

4.44

-10.18

-5.74
16 RHFPDKMMR

3.06

-8.74

-5.68
17 RHPPDKPMK

3.1

-8.77

-5.67
18 RHPPWKWMK

4.5

-10.16

-5.66
19 RHFPDKPMR

2.85

-8.43

-5.58
20 RHRPDMWMR

3.77

-9.2

-5.43
21 RHRPDKWMK

3.75

-9.18

-5.43
22 RHPPDKMMW

3.65

-9.0

-5.35
23 RHPPDKWMW

4.44

-9.71

-5.27
24 RHFPDKPMK

2.98

-8.17

-5.19
25 RHRPDKWMR

3.92

-9.06

-5.14
26 RHPPDKWMK

4.59

-9.61

-5.02
27 RHFPDKWMK

3.65

-8.58

-4.93
28 RHPPWKWMR

4.58

-9.13

-4.55
29 RHPPDKWMR

4.53

-8.84

-4.31
30 RHFPDKWMR

4.4

-8.61

-4.21

 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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