Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-13.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 0.805 ΔGbinding -2.860
TOTAL
 -2.055
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.563
Van der Waals -3.074 Backbone clash 0.000
Electrostatics 0.087 Helix dipole 0.000
Solvation Polar 3.426 Water bridges -0.209
Solvation Hyd -4.015 Disulfide 0.000
VdW clashes 0.016 Electrost. Kon 0.061
Entropy sc 1.050 Part.cov.bonds 0.000
Entropy mc

3.061

 ΔGstability

28.664
       

Predicted ligand sequences for model [RVS167_FYN-SSH-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDWNRYWK 0.0
2 RDFNRYWK 0.06
3 RDPNRYWK 0.13
4 RDWNRYWH 0.15
5 RDWNRYWW 0.15
6 RDFNRYWW 0.21
7 RDWMRYWK 0.22
8 RDFNRYWH 0.22
9 RDPNRYWW 0.28
10 RDFMRYWK 0.29
11 RDPNRYWH 0.29
12 RPWNRYWK 0.3
13 RDWNRPWK 0.35
14 RDPMRYWK 0.36
15 RPFNRYWK 0.36
16 RDWMRYWW 0.37
17 RDWMRYWH 0.38
18 RDFNRPWK 0.41
19 RDWIRYWK 0.41
20 RDFMRYWW 0.43
21 RPPNRYWK 0.43
22 RPWNRYWW 0.44
23 RDFMRYWH 0.44
24 RPWNRYWH 0.45
25 RDFIRYWK 0.47
26 RDWNRFWK 0.48
27 RDPNRPWK 0.48
28 RKWNRYWK 0.49
29 RDWNRPWW 0.49
30 RDPMRYWW 0.5
31 RDWNRPWH 0.5
32 RDPMRYWH 0.51
33 RPFNRYWW 0.51
34 RPFNRYWH 0.51
35 RPWMRYWK 0.52
36 RDPIRYWK 0.54
37 RDFNRFWK 0.54
38 RDWIRYWW 0.55
39 RDFNRPWW 0.56
40 RDWIRYWH 0.56
41 RKFNRYWK 0.56
42 RDFNRPWH 0.57
43 RDWMRPWK 0.57
44 RPFMRYWK 0.58
45 RPPNRYWH 0.58
46 RPPNRYWW 0.58
47 RDPNRFWK 0.61
48 RDFIRYWW 0.61
49 RDWNRFWW 0.62
50 RDFIRYWH 0.62
51 RKPNRYWK 0.63
52 RDWNRFWH 0.63
53 RDPNRPWW 0.63
54 RDFMRPWK 0.64
55 RDPNRPWH 0.64
56 RKWNRYWW 0.64
57 RPWNRPWK 0.65
58 RPPMRYWK 0.65
59 RKWNRYWH 0.65
60 RPWMRYWW 0.67
61 RPWMRYWH 0.67
62 RDFNRFWW 0.68
63 RDPIRYWW 0.69
64 RDPIRYWH 0.69
65 RDFNRFWH 0.69
66 RPWIRYWK 0.7
67 RKFNRYWW 0.7
68 RDWMRFWK 0.7
69 RPFNRPWK 0.71
70 RDPMRPWK 0.71
71 RKFNRYWH 0.71
72 RKWMRYWK 0.72
73 RDWMRPWW 0.72
74 RPFMRYWW 0.73
75 RDWMRPWH 0.73
76 RPFMRYWH 0.74
77 RDFMRFWK 0.76
78 RDPNRFWH 0.76
79 RDPNRFWW 0.76
80 RDWIRPWK 0.76
81 RKPNRYWW 0.77
82 RPFIRYWK 0.77
83 RPWNRFWK 0.77
84 RKFMRYWK 0.78
85 RKPNRYWH 0.78
86 RDFMRPWW 0.78
87 RPPNRPWK 0.78
88 RDFMRPWH 0.79
89 RPWNRPWW 0.79
90 RPWNRPWH 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDFMRYWH

4.17

-15.11

-10.94
2 RPWNRYWK

3.31

-12.07

-8.76
3 RDPMRYWK

3.95

-12.66

-8.71
4 RPPNRYWK

3.33

-12.01

-8.68
5 RPWNRYWH

3.33

-11.81

-8.48
6 RDPMRYWW

3.95

-12.4

-8.45
7 RDFMRYWK

4.2

-12.63

-8.43
8 RPFNRYWK

3.5

-11.86

-8.36
9 RDWMRYWK

3.95

-12.22

-8.27
10 RPWNRYWW

3.46

-11.63

-8.17
11 RDWNRFWK

3.06

-11.05

-7.99
12 RDWIRYWK

4.39

-12.21

-7.82
13 RDWMRYWW

4.28

-12.09

-7.81
14 RKWNRYWK

3.56

-11.15

-7.59
15 RDWNRYWH

2.9

-10.47

-7.57
16 RDWNRPWW

3.0

-10.51

-7.51
17 RDFIRYWK

4.83

-12.29

-7.46
18 RDPNRPWK

4.02

-11.34

-7.32
19 RDFMRYWW

4.1

-11.41

-7.31
20 RDWNRPWK

3.84

-11.09

-7.25
21 RDFNRYWH

4.19

-11.42

-7.23
22 RDPNRYWH

4.1

-11.32

-7.22
23 RDWMRYWH

4.28

-11.25

-6.97
24 RDWNRYWK

3.85

-10.74

-6.89
25 RDFNRPWK

4.09

-10.97

-6.88
26 RDWNRYWW

3.97

-10.62

-6.65
27 RDFNRYWK

4.64

-11.0

-6.36
28 RDFNRYWW

4.03

-10.31

-6.28
29 RDPNRYWK

4.16

-10.08

-5.92
30 RDPNRYWW

4.22

-9.99

-5.77

 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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