Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-18.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
G
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 6.376 ΔGbinding -2.494
TOTAL
 3.882
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.933
Van der Waals -3.315 Backbone clash 0.759
Electrostatics 0.127 Helix dipole 0.000
Solvation Polar 2.787 Water bridges -0.022
Solvation Hyd -4.974 Disulfide 0.000
VdW clashes 0.126 Electrost. Kon 0.138
Entropy sc 0.399 Part.cov.bonds 0.000
Entropy mc

2.582

 ΔGstability

39.242
       

Predicted ligand sequences for model [RVS167_FYN-SSH-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIRPIWFW 0.0
2 RPFIRPIWFW 0.01
3 RPPIRPIFFW 0.07
4 RPPIRPIMFW 0.07
5 RPFIRPIMFW 0.07
6 RPFIRPIFFW 0.08
7 RPYIRPIWFW 0.1
8 RPFIRPILFW 0.12
9 RPPIRPILFW 0.12
10 RPRIRPIWFW 0.13
11 RPYIRPIMFW 0.17
12 RPYIRPIFFW 0.17
13 RPRIRPIFFW 0.2
14 RPRIRPIMFW 0.2
15 RPYIRPILFW 0.22
16 RPKIRPIWFW 0.24
17 RPRIRPILFW 0.25
18 FPPIRPIWFW 0.29
19 FPFIRPIWFW 0.29
20 RPKIRPIMFW 0.3
21 RPKIRPIFFW 0.31
22 RPPIRPIRFW 0.32
23 RPFIRPIRFW 0.33
24 FPPIRPIMFW 0.35
25 RPKIRPILFW 0.35
26 RPPIRPIWYW 0.36
27 FPFIRPIMFW 0.36
28 FPPIRPIFFW 0.36
29 RPFIRPIWYW 0.37
30 FPFIRPIFFW 0.37
31 FPYIRPIWFW 0.39
32 FPPIRPILFW 0.4
33 FPFIRPILFW 0.41
34 FPRIRPIWFW 0.42
35 RPYIRPIRFW 0.42
36 RPPIRPIMYW 0.43
37 RPFIRPIMYW 0.44
38 RPFIRPIFYW 0.44
39 RPPIRPIFYW 0.44
40 RPRIRPIRFW 0.45
41 FPYIRPIMFW 0.45
42 RPYIRPIWYW 0.46
43 FPYIRPIFFW 0.46
44 FPRIRPIMFW 0.48
45 RPPIRPILYW 0.48
46 FPRIRPIFFW 0.49
47 RPFIRPILYW 0.49
48 RPRIRPIWYW 0.49
49 FPYIRPILFW 0.5
50 FPKIRPIWFW 0.52
51 FPRIRPILFW 0.53
52 RPYIRPIMYW 0.53
53 RPYIRPIFYW 0.54
54 RPRIRPIMYW 0.56
55 RPKIRPIRFW 0.56
56 RPRIRPIFYW 0.57
57 RPYIRPILYW 0.58
58 FPKIRPIMFW 0.59
59 FPKIRPIFFW 0.6
60 RPKIRPIWYW 0.6
61 RPRIRPILYW 0.61
62 FPPIRPIRFW 0.61
63 FPFIRPIRFW 0.62
64 FPKIRPILFW 0.64
65 FPPIRPIWYW 0.65
66 FPFIRPIWYW 0.66
67 RPKIRPIMYW 0.67
68 RPKIRPIFYW 0.67
69 RPPIRPIRYW 0.69
70 RPFIRPIRYW 0.69
71 FPPIRPIMYW 0.71
72 FPYIRPIRFW 0.71
73 FPPIRPIFYW 0.72
74 RPKIRPILYW 0.72
75 FPFIRPIMYW 0.72
76 FPFIRPIFYW 0.73
77 FPRIRPIRFW 0.74
78 FPYIRPIWYW 0.75
79 FPFIRPILYW 0.77
80 FPPIRPILYW 0.77
81 FPRIRPIWYW 0.78
82 RPYIRPIRYW 0.79
83 FPYIRPIMYW 0.81
84 RPRIRPIRYW 0.82
85 FPYIRPIFYW 0.82
86 FPRIRPIMYW 0.84
87 FPRIRPIFYW 0.85
88 FPKIRPIRFW 0.85
89 FPYIRPILYW 0.87
90 FPKIRPIWYW 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPIRPIFFW

10.42

-11.4

-0.98
2 RPFIRPIMFW

10.84

-11.8

-0.96
3 FPPIRPIMFW

10.35

-11.28

-0.93
4 RPRIRPIMFW

10.83

-11.06

-0.23
5 RPKIRPIMFW

10.71

-10.85

-0.14
6 RPFIRPIWFW

10.48

-10.46

0.02
7 RPPIRPILFW

10.34

-10.2

0.14
8 RPRIRPILFW

10.45

-10.3

0.15
9 FPFIRPIMFW

10.85

-10.69

0.16
10 RPPIRPIRFW

10.98

-10.81

0.17
11 RPPIRPIMFW

11.13

-10.93

0.2
12 RPYIRPIFFW

10.28

-9.91

0.37
13 RPKIRPILFW

10.47

-10.09

0.38
14 RPFIRPIRFW

11.29

-10.9

0.39
15 RPRIRPIFFW

10.96

-10.52

0.44
16 RPFIRPIWYW

10.76

-10.31

0.45
17 RPYIRPIMFW

10.85

-10.12

0.73
18 RPKIRPIWFW

11.55

-10.72

0.83
19 FPFIRPIWFW

11.07

-9.93

1.14
20 RPRIRPIWFW

11.82

-10.57

1.25
21 RPYIRPIWFW

11.1

-9.78

1.32
22 FPFIRPIFFW

11.07

-9.71

1.36
23 RPFIRPILFW

11.13

-9.64

1.49
24 RPPIRPIWFW

12.01

-10.42

1.59
25 RPPIRPIWYW

11.33

-9.66

1.67
26 RPYIRPILFW

10.84

-9.16

1.68
27 RPFIRPIFFW

11.55

-9.55

2.0
28 FPPIRPIWFW

11.73

-9.68

2.05
29 FPPIRPIFFW

12.04

-9.94

2.1
30 RPKIRPIFFW

12.79

-10.45

2.34

 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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