Predicted ligand sequences (modelled structure)


ADAN-name: CYK3_1QCF-5.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 10
poly-Ala A
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 2.361 ΔGbinding -3.212
TOTAL
 -0.851
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.603
Van der Waals -5.739 Backbone clash 0.164
Electrostatics -0.350 Helix dipole 0.000
Solvation Polar 5.486 Water bridges 0.147
Solvation Hyd -8.521 Disulfide 0.000
VdW clashes 3.255 Electrost. Kon -0.369
Entropy sc 0.791 Part.cov.bonds 0.000
Entropy mc

1.761

 ΔGstability

37.841
       

Predicted ligand sequences for model [CYK3_1QCF-5.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).
 
  CYK3_1QCF-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPDRPPPDSP 0.0
2 MPDRPPPESP 0.07
3 MPDRDPPDSP 0.2
4 MPPRPPPDSP 0.22
5 MPDRPPPDSM 0.23
6 MPDRPPPDSY 0.24
7 MPERPPPDSP 0.27
8 MPDRDPPESP 0.27
9 MPDRPPWDSP 0.28
10 MPPRPPPESP 0.29
11 IPDRPPPDSP 0.3
12 MPDRPPPESM 0.3
13 MPDRPPPESY 0.3
14 MPDRPFPDSP 0.33
15 MPERPPPESP 0.33
16 MPDRPPWESP 0.35
17 IPDRPPPESP 0.36
18 MPDRPPPPSP 0.36
19 MPDRPFPESP 0.39
20 MPDRGPPDSP 0.39
21 MPPRDPPDSP 0.42
22 LPDRPPPDSP 0.43
23 MPDRDPPDSY 0.44
24 MPDRDPPDSM 0.44
25 MPPRPPPDSM 0.45
26 MPPRPPPDSY 0.46
27 MPDRGPPESP 0.46
28 MPERDPPDSP 0.47
29 MPPRDPPESP 0.49
30 MPDRDPWDSP 0.49
31 LPDRPPPESP 0.5
32 MPERPPPDSM 0.5
33 MPPRPPWDSP 0.5
34 IPDRDPPDSP 0.5
35 MPDRDPPESM 0.5
36 MPERPPPDSY 0.51
37 MPDRDPPESY 0.51
38 MPPRPPPESM 0.52
39 MPPRPPPESY 0.52
40 IPPRPPPDSP 0.52
41 MPDRPPWDSM 0.52
42 MPDRPPWDSY 0.52
43 IPDRPPPDSM 0.53
44 IPDRPPPDSY 0.53
45 MPDRDFPDSP 0.53
46 MPERDPPESP 0.54
47 MPPRPFPDSP 0.55
48 MPERPPWDSP 0.55
49 MPDRDPWESP 0.55
50 MPDRPFPDSY 0.56
51 MPDRPFPDSM 0.56
52 MPDRDPPPSP 0.56
53 IPDRDPPESP 0.57
54 MPERPPPESY 0.57
55 MPERPPPESM 0.57
56 MPPRPPWESP 0.57
57 IPERPPPDSP 0.57
58 MPDRPPWESM 0.58
59 MPDRPPWESY 0.58
60 MPPRPPPPSP 0.58
61 IPDRPPWDSP 0.58
62 IPPRPPPESP 0.58
63 MPDRPPPPSY 0.59
64 MPDRPPPPSM 0.59
65 IPDRPPPESY 0.6
66 IPDRPPPESM 0.6
67 MPERPFPDSP 0.6
68 MPDRDFPESP 0.6
69 MPDRPFWDSP 0.61
70 MPPRGPPDSP 0.61
71 MPPRPFPESP 0.61
72 MPERPPPPSP 0.62
73 MPERPPWESP 0.62
74 MPDRGPPDSM 0.62
75 IPERPPPESP 0.63
76 MPDRPFPESM 0.63
77 MPDRPFPESY 0.63
78 IPDRPFPDSP 0.63
79 MPDRGPPDSY 0.63
80 LPDRDPPDSP 0.64
81 MPDRPPWPSP 0.64
82 LPPRPPPDSP 0.65
83 IPDRPPWESP 0.65
84 IPDRPPPPSP 0.65
85 MPPRDPPDSM 0.66
86 MPPRDPPDSY 0.66
87 MPERGPPDSP 0.66
88 MPERPFPESP 0.66
89 LPDRPPPDSM 0.66
90 LPDRPPPDSY 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPDRDPPDSP

3.6

-13.03

-9.43
2 IPDRPPPDSP

3.8

-12.99

-9.19
3 MPPRPPPDSM

3.71

-12.88

-9.17
4 MPDRPPPDSP

3.36

-12.24

-8.88
5 MPDRPPPESY

4.74

-13.36

-8.62
6 LPDRPPPDSP

4.35

-12.76

-8.41
7 MPERDPPDSP

3.64

-12.01

-8.37
8 MPDRGPPESP

3.35

-11.67

-8.32
9 MPDRPPPESP

3.56

-11.82

-8.26
10 MPDRPPPDSM

3.83

-12.07

-8.24
11 MPDRDPPESP

3.59

-11.76

-8.17
12 MPPRPPPESP

3.44

-11.6

-8.16
13 IPDRPPPESP

3.49

-11.6

-8.11
14 MPDRPPPPSP

3.4

-11.48

-8.08
15 MPDRPPPESM

3.79

-11.86

-8.07
16 MPPRDPPESP

3.67

-11.68

-8.01
17 MPDRDPPDSM

3.73

-11.61

-7.88
18 MPERPPPESP

3.96

-11.83

-7.87
19 MPDRPPPDSY

3.72

-11.5

-7.78
20 MPPRDPPDSP

3.75

-11.5

-7.75
21 MPPRPPPDSP

3.1

-10.7

-7.6
22 MPDRDPPDSY

4.78

-12.29

-7.51
23 MPERPPPDSP

3.82

-11.21

-7.39
24 MPDRGPPDSP

3.65

-10.73

-7.08
25 MPPRPPPDSY

5.13

-11.29

-6.16
26 MPDRPFPESP

4.97

-11.12

-6.15
27 MPDRPFPDSP

5.09

-10.81

-5.72
28 MPDRPPWDSP

3.33

-9.04

-5.71
29 MPDRPPWESP

3.69

-8.4

-4.71
30 MPDRDPWDSP

3.92

-8.16

-4.24

 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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