Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-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 1.432 ΔGbinding -1.441
TOTAL
 -0.009
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.598
Van der Waals -3.110 Backbone clash 0.046
Electrostatics 0.066 Helix dipole 0.000
Solvation Polar 3.728 Water bridges -0.187
Solvation Hyd -4.094 Disulfide 0.000
VdW clashes 0.087 Electrost. Kon 0.053
Entropy sc 0.761 Part.cov.bonds 0.000
Entropy mc

1.931

 ΔGstability

25.443
       

Predicted ligand sequences for model [YSC84_1CSK-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).
 
  YSC84_1CSK-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFRHRWR 0.0
2 RRFRHRWK 0.01
3 RRFRHRWH 0.08
4 RRFRRRWR 0.1
5 RRFRRRWK 0.11
6 RRFRPRWR 0.11
7 RRFRHRWP 0.12
8 RRFRPRWK 0.12
9 RRFRKRWR 0.15
10 RRFRKRWK 0.16
11 RRFRRRWH 0.18
12 RRFRPRWH 0.19
13 RRFKHRWR 0.2
14 RRFKHRWK 0.21
15 RRFRRRWP 0.22
16 RRFRKRWH 0.23
17 RRFRPRWP 0.23
18 RRFKHRWH 0.27
19 RRFRKRWP 0.27
20 RRFKRRWR 0.29
21 RRFKPRWR 0.3
22 RRFKRRWK 0.31
23 RRFKPRWK 0.32
24 RRFKHRWP 0.32
25 RRFKKRWR 0.34
26 RRFLHRWR 0.35
27 RRFKKRWK 0.36
28 RKFRHRWR 0.36
29 RRFLHRWK 0.37
30 RRFKRRWH 0.37
31 RRFKPRWH 0.38
32 RKFRHRWK 0.38
33 RRFKPRWP 0.42
34 RRFKKRWH 0.42
35 RRFKRRWP 0.42
36 RRFLHRWH 0.43
37 RKFRHRWH 0.44
38 RRFLRRWR 0.45
39 RRFKKRWP 0.46
40 RKFRRRWR 0.46
41 RRFLPRWR 0.46
42 RRFLHRWP 0.47
43 RKFRPRWR 0.47
44 RRFLRRWK 0.47
45 RKFRRRWK 0.48
46 RRFLPRWK 0.48
47 RKFRPRWK 0.49
48 RKFRHRWP 0.49
49 RRFLKRWR 0.5
50 RKFRKRWR 0.51
51 RRFLKRWK 0.52
52 RKFRKRWK 0.53
53 RRFLRRWH 0.53
54 RKFRRRWH 0.54
55 RRFLPRWH 0.54
56 RKFRPRWH 0.55
57 RKFKHRWR 0.56
58 RKFKHRWK 0.57
59 RRFLRRWP 0.57
60 RKFRRRWP 0.58
61 RRFLPRWP 0.58
62 RRFLKRWH 0.58
63 RKFRPRWP 0.59
64 RKFRKRWH 0.59
65 RRFLKRWP 0.62
66 RKFRKRWP 0.63
67 RKFKHRWH 0.64
68 RKFKRRWR 0.66
69 RKFKRRWK 0.67
70 RKFKPRWR 0.67
71 RKFKHRWP 0.68
72 RKFKPRWK 0.68
73 RKFKKRWR 0.71
74 RKFLHRWR 0.72
75 RKFKKRWK 0.72
76 RKFLHRWK 0.73
77 RKFKRRWH 0.74
78 RKFKPRWH 0.75
79 RKFKRRWP 0.78
80 RKFKKRWH 0.79
81 RKFKPRWP 0.79
82 RKFLHRWH 0.8
83 RKFLRRWR 0.82
84 RKFLRRWK 0.83
85 RKFKKRWP 0.83
86 RKFLPRWR 0.83
87 RKFLPRWK 0.84
88 RKFLHRWP 0.84
89 RKFLKRWR 0.87
90 RKFLKRWK 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFRPRWP

2.73

-12.88

-10.15
2 RRFRRRWK

2.84

-12.09

-9.25
3 RRFKKRWR

2.57

-11.31

-8.74
4 RRFKHRWR

2.32

-10.95

-8.63
5 RRFRPRWH

2.35

-10.94

-8.59
6 RRFRPRWK

2.93

-11.42

-8.49
7 RRFRKRWK

2.82

-11.14

-8.32
8 RRFKPRWK

2.02

-10.26

-8.24
9 RRFRHRWP

2.47

-10.43

-7.96
10 RRFRKRWP

2.8

-10.73

-7.93
11 RRFRPRWR

2.76

-10.66

-7.9
12 RRFKRRWK

2.49

-10.37

-7.88
13 RRFKRRWH

2.36

-10.21

-7.85
14 RRFRKRWH

2.56

-10.36

-7.8
15 RRFLHRWK

2.64

-10.44

-7.8
16 RRFKKRWK

2.53

-10.31

-7.78
17 RRFRKRWR

2.57

-10.31

-7.74
18 RRFRHRWK

3.53

-11.26

-7.73
19 RRFKPRWR

2.84

-10.52

-7.68
20 RRFRHRWH

2.28

-9.8

-7.52
21 RRFRRRWR

2.82

-10.29

-7.47
22 RRFKHRWH

2.65

-10.08

-7.43
23 RRFKHRWK

2.56

-9.93

-7.37
24 RRFLHRWR

2.81

-10.1

-7.29
25 RRFKRRWR

2.64

-9.78

-7.14
26 RRFRHRWR

2.42

-9.53

-7.11
27 RRFRRRWH

2.69

-9.39

-6.7
28 RRFKHRWP

3.02

-9.05

-6.03
29 RKFRHRWR

2.89

-8.63

-5.74
30 RRFRRRWP

3.71

-7.88

-4.17

 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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