Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-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 0.780 ΔGbinding -2.232
TOTAL
 -1.452
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.451
Van der Waals -3.703 Backbone clash 0.000
Electrostatics 0.196 Helix dipole 0.000
Solvation Polar 3.903 Water bridges -0.006
Solvation Hyd -4.747 Disulfide 0.000
VdW clashes 0.021 Electrost. Kon 0.217
Entropy sc 0.613 Part.cov.bonds 0.000
Entropy mc

2.097

 ΔGstability

33.100
       

Predicted ligand sequences for model [RVS167_FYN-SSH-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).
 
  RVS167_FYN-SSH-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRMPKRRPP 0.0
2 DRMPRRRPP 0.01
3 DRKPKRRPP 0.02
4 DRKPRRRPP 0.03
5 DDMPRRRPP 0.04
6 DDMPKRRPP 0.04
7 DDKPKRRPP 0.06
8 DRPPKRRPP 0.06
9 DDKPRRRPP 0.06
10 DRPPRRRPP 0.07
11 DRMPKRRRP 0.07
12 DRMPRRRRP 0.08
13 DRKPKRRRP 0.09
14 DRMPKMRPP 0.1
15 DDPPRRRPP 0.1
16 DRKPRRRRP 0.1
17 DDPPKRRPP 0.1
18 DRMPRMRPP 0.11
19 DDMPRRRRP 0.11
20 DDMPKRRRP 0.11
21 DRKPKMRPP 0.13
22 DDKPKRRRP 0.13
23 DRPPKRRRP 0.13
24 DDKPRRRRP 0.13
25 DRMPHRRPP 0.13
26 DRKPRMRPP 0.13
27 DRMEKRRPP 0.14
28 DRPPRRRRP 0.14
29 DDMPRMRPP 0.14
30 DRMERRRPP 0.14
31 DDMPKMRPP 0.14
32 DRMPKRWPP 0.15
33 DRKPHRRPP 0.15
34 DRMPRRWPP 0.15
35 DDMPHRRPP 0.16
36 DRKEKRRPP 0.16
37 DDKPKMRPP 0.16
38 DDMEKRRPP 0.17
39 DRKPRRWPP 0.17
40 DRMPKMRRP 0.17
41 DRPPRMRPP 0.17
42 DDKPRMRPP 0.17
43 DDPPRRRRP 0.17
44 DRKPKRWPP 0.17
45 DRPPKMRPP 0.17
46 DRKERRRPP 0.17
47 DDPPKRRRP 0.17
48 DDKPHRRPP 0.18
49 DRMPRMRRP 0.18
50 DDMPKRWPP 0.18
51 DDMERRRPP 0.18
52 DRPPHRRPP 0.19
53 DDMPRRWPP 0.19
54 DDPPKMRPP 0.2
55 DDKEKRRPP 0.2
56 DDKPKRWPP 0.2
57 DRKPKMRRP 0.2
58 DDKERRRPP 0.2
59 DRPEKRRPP 0.2
60 DRKPRMRRP 0.2
61 DRMPHRRRP 0.2
62 DDMPKMRRP 0.21
63 DRPPKRWPP 0.21
64 DRMEKRRRP 0.21
65 DDMPRMRRP 0.21
66 DRPPRRWPP 0.21
67 DRMERRRRP 0.21
68 DDKPRRWPP 0.21
69 DDPPRMRPP 0.21
70 DRPERRRPP 0.21
71 DRMPRRWRP 0.22
72 DRMPKRWRP 0.22
73 DRKPHRRRP 0.22
74 DDMPHRRRP 0.23
75 DRKEKRRRP 0.23
76 DDKPKMRRP 0.23
77 DDPPHRRPP 0.23
78 DRMPHMRPP 0.23
79 DRMEKMRPP 0.24
80 DRKPRRWRP 0.24
81 DRMPKRRHP 0.24
82 DDPEKRRPP 0.24
83 DRPPRMRRP 0.24
84 DDKPRMRRP 0.24
85 DRKPKRWRP 0.24
86 DRPPKMRRP 0.24
87 DDPERRRPP 0.24
88 DRKERRRRP 0.24
89 DDPPKRWPP 0.24
90 DDMEKRRRP 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRPPKRRPP

0.9

-9.69

-8.79
2 DDMPRMRPP

0.94

-9.49

-8.55
3 DRMPKRRRP

1.07

-9.38

-8.31
4 DRKPRMRPP

1.39

-9.55

-8.16
5 DRPPKRRRP

2.38

-10.52

-8.14
6 DRMPKMRPP

1.48

-9.54

-8.06
7 DRMPHRRPP

1.28

-9.31

-8.03
8 DDPPKRRPP

1.52

-9.34

-7.82
9 DRMPRMRPP

1.38

-9.08

-7.7
10 DDMPRRRPP

1.35

-8.94

-7.59
11 DRMPKRRPP

1.67

-9.24

-7.57
12 DRPPRRRRP

2.36

-9.9

-7.54
13 DRKPKRRRP

1.53

-8.99

-7.46
14 DDMPKRRRP

1.49

-8.93

-7.44
15 DDKPRRRPP

2.44

-9.8

-7.36
16 DDPPRRRPP

2.04

-9.16

-7.12
17 DDMPRRRRP

1.45

-8.49

-7.04
18 DDKPKRRRP

2.42

-9.37

-6.95
19 DDMPKRRPP

1.0

-7.72

-6.72
20 DRPPRRRPP

2.27

-8.92

-6.65
21 DRMERRRPP

1.64

-8.17

-6.53
22 DRMPRRRRP

2.35

-8.63

-6.28
23 DRKPRRRRP

1.58

-7.49

-5.91
24 DRMPRRRPP

2.54

-8.3

-5.76
25 DRMEKRRPP

2.55

-8.08

-5.53
26 DRKPKRRPP

2.61

-8.09

-5.48
27 DRKPRRRPP

2.49

-7.68

-5.19
28 DRKPKMRPP

2.97

-8.11

-5.14
29 DDKPRRRRP

3.37

-8.37

-5.0
30 DDKPKRRPP

2.53

-7.46

-4.93

 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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