Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-17.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
G
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 2.420 ΔGbinding -2.027
TOTAL
 0.393
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.473
Van der Waals -4.208 Backbone clash 0.014
Electrostatics 0.166 Helix dipole 0.000
Solvation Polar 4.203 Water bridges -0.044
Solvation Hyd -5.890 Disulfide 0.000
VdW clashes 0.410 Electrost. Kon 0.182
Entropy sc 1.235 Part.cov.bonds 0.000
Entropy mc

3.995

 ΔGstability

27.421
       

Predicted ligand sequences for model [RVS167_FMK-SSH-17.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_FMK-SSH-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFMRGFMR 0.0
2 RPFMRGFWR 0.01
3 RPWMRGFMR 0.03
4 RPWMRGFWR 0.04
5 RPRMRGFMR 0.05
6 RPRMRGFWR 0.07
7 YPFMRGFMR 0.09
8 YPFMRGFWR 0.11
9 YPWMRGFMR 0.12
10 YPWMRGFWR 0.13
11 YPRMRGFMR 0.14
12 YPRMRGFWR 0.16
13 RPFMRGFCR 0.18
14 RPWMRGFCR 0.21
15 RPRMRGFCR 0.23
16 RPFMHGFMR 0.26
17 YPFMRGFCR 0.27
18 RPFMHGFWR 0.28
19 RPWMHGFMR 0.29
20 YPWMRGFCR 0.3
21 RPWMHGFWR 0.3
22 RPRMHGFMR 0.31
23 YPRMRGFCR 0.32
24 RPRMHGFWR 0.33
25 RPFMKGFMR 0.35
26 YPFMHGFMR 0.35
27 YPFMHGFWR 0.37
28 RPFMKGFWR 0.37
29 RPWMKGFMR 0.38
30 YPWMHGFMR 0.38
31 RPWMKGFWR 0.39
32 YPRMHGFMR 0.4
33 YPWMHGFWR 0.4
34 RPRMKGFMR 0.4
35 RPRMKGFWR 0.42
36 RVFMRGFMR 0.42
37 YPRMHGFWR 0.42
38 RVFMRGFWR 0.43
39 YPFMKGFMR 0.44
40 RPFMHGFCR 0.44
41 RVWMRGFMR 0.45
42 YPFMKGFWR 0.46
43 RVWMRGFWR 0.46
44 YPWMKGFMR 0.47
45 RPWMHGFCR 0.47
46 RVRMRGFMR 0.47
47 RVRMRGFWR 0.48
48 YPWMKGFWR 0.48
49 YPRMKGFMR 0.49
50 RPRMHGFCR 0.49
51 YVFMRGFMR 0.51
52 YPRMKGFWR 0.51
53 YVFMRGFWR 0.53
54 RPFMKGFCR 0.53
55 YPFMHGFCR 0.53
56 YVWMRGFMR 0.54
57 YVWMRGFWR 0.55
58 YVRMRGFMR 0.56
59 RPWMKGFCR 0.56
60 YPWMHGFCR 0.56
61 YVRMRGFWR 0.58
62 RPRMKGFCR 0.58
63 YPRMHGFCR 0.59
64 RVFMRGFCR 0.6
65 YPFMKGFCR 0.62
66 RVWMRGFCR 0.63
67 RVRMRGFCR 0.65
68 YPWMKGFCR 0.65
69 RVFMHGFMR 0.68
70 YPRMKGFCR 0.68
71 RVFMHGFWR 0.69
72 YVFMRGFCR 0.69
73 RVWMHGFMR 0.71
74 RVWMHGFWR 0.72
75 YVWMRGFCR 0.72
76 RVRMHGFMR 0.73
77 RVRMHGFWR 0.74
78 YVRMRGFCR 0.74
79 YVFMHGFMR 0.77
80 RVFMKGFMR 0.77
81 RVFMKGFWR 0.78
82 YVFMHGFWR 0.79
83 RVWMKGFMR 0.8
84 YVWMHGFMR 0.8
85 RVWMKGFWR 0.81
86 YVWMHGFWR 0.81
87 YVRMHGFMR 0.82
88 RVRMKGFMR 0.82
89 RVRMKGFWR 0.83
90 YVRMHGFWR 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRMRGFCR

2.65

-10.72

-8.07
2 YPWMRGFMR

2.94

-10.7

-7.76
3 YPRMRGFMR

3.02

-10.56

-7.54
4 YPWMRGFWR

2.73

-10.07

-7.34
5 RPRMHGFMR

2.87

-9.82

-6.95
6 RPWMRGFMR

3.04

-9.77

-6.73
7 RPWMRGFCR

3.25

-9.82

-6.57
8 RPFMRGFMR

2.77

-9.25

-6.48
9 YPFMRGFCR

3.18

-9.58

-6.4
10 YPWMRGFCR

2.89

-9.27

-6.38
11 RPFMHGFWR

2.63

-8.99

-6.36
12 YPFMRGFMR

2.77

-9.11

-6.34
13 RPWMRGFWR

3.14

-9.46

-6.32
14 YPFMRGFWR

2.62

-8.89

-6.27
15 RPFMRGFCR

2.96

-9.22

-6.26
16 RPRMRGFMR

4.43

-10.5

-6.07
17 RPFMKGFMR

3.44

-9.5

-6.06
18 RPRMHGFWR

2.97

-9.03

-6.06
19 RPWMKGFMR

2.75

-8.75

-6.0
20 YPRMRGFCR

2.9

-8.88

-5.98
21 RPRMRGFWR

3.02

-8.85

-5.83
22 YPFMHGFMR

2.47

-8.23

-5.76
23 RPFMHGFMR

2.69

-8.18

-5.49
24 YPRMRGFWR

2.68

-8.12

-5.44
25 RPFMRGFWR

3.2

-8.59

-5.39
26 RPWMHGFMR

3.38

-8.67

-5.29
27 RPWMHGFWR

2.65

-7.87

-5.22
28 YPWMHGFMR

2.67

-7.72

-5.05
29 YPFMHGFWR

2.59

-7.47

-4.88
30 RPFMKGFWR

2.76

-7.41

-4.65

 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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