Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-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 5.123 ΔGbinding -0.389
TOTAL
 4.734
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.174
Van der Waals -4.612 Backbone clash 0.017
Electrostatics 0.186 Helix dipole 0.000
Solvation Polar 5.030 Water bridges -0.017
Solvation Hyd -6.093 Disulfide 0.000
VdW clashes 0.520 Electrost. Kon 0.190
Entropy sc 1.171 Part.cov.bonds 0.000
Entropy mc

4.338

 ΔGstability

36.312
       

Predicted ligand sequences for model [RVS167_FYN-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_FYN-SSH-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPWRRGFSR 0.0
2 YPFRRGFSR 0.01
3 YPYRRGFSR 0.13
4 FPWRRGFSR 0.17
5 FPFRRGFSR 0.18
6 YPFRRGMSR 0.26
7 YPWRRGMSR 0.26
8 FPYRRGFSR 0.3
9 RPFRRGFSR 0.31
10 RPWRRGFSR 0.31
11 YPWRKGFSR 0.33
12 YPWRHGFSR 0.33
13 YPFRHGFSR 0.33
14 YPFRKGFSR 0.34
15 YDWRRGFSR 0.37
16 YDFRRGFSR 0.38
17 YPYRRGMSR 0.39
18 FPWRRGMSR 0.43
19 FPFRRGMSR 0.44
20 RPYRRGFSR 0.44
21 YPYRHGFSR 0.46
22 YPYRKGFSR 0.46
23 YDYRRGFSR 0.5
24 FPWRHGFSR 0.5
25 FPFRHGFSR 0.51
26 FPFRKGFSR 0.51
27 FPWRKGFSR 0.51
28 FDFRRGFSR 0.55
29 FDWRRGFSR 0.55
30 FPYRRGMSR 0.56
31 RPWRRGMSR 0.57
32 RPFRRGMSR 0.57
33 YPWRKGMSR 0.59
34 YPFRHGMSR 0.59
35 YPWRHGMSR 0.59
36 YPFRKGMSR 0.6
37 FPYRHGFSR 0.63
38 YDWRRGMSR 0.63
39 RPWRHGFSR 0.64
40 FPYRKGFSR 0.64
41 YDFRRGMSR 0.64
42 RPWRKGFSR 0.64
43 RPFRHGFSR 0.64
44 RPFRKGFSR 0.65
45 RDWRRGFSR 0.68
46 FDYRRGFSR 0.68
47 RDFRRGFSR 0.68
48 RPYRRGMSR 0.7
49 YDWRKGFSR 0.7
50 YDWRHGFSR 0.7
51 YDFRKGFSR 0.71
52 YDFRHGFSR 0.71
53 YPYRHGMSR 0.72
54 YPYRKGMSR 0.72
55 FPWRHGMSR 0.76
56 YDYRRGMSR 0.76
57 FPFRKGMSR 0.77
58 RPYRKGFSR 0.77
59 FPFRHGMSR 0.77
60 FPWRKGMSR 0.77
61 RPYRHGFSR 0.77
62 FDWRRGMSR 0.81
63 FDFRRGMSR 0.81
64 RDYRRGFSR 0.81
65 YDYRHGFSR 0.83
66 YDYRKGFSR 0.83
67 FDFRKGFSR 0.88
68 FDFRHGFSR 0.88
69 FDWRKGFSR 0.88
70 FDWRHGFSR 0.88
71 FPYRHGMSR 0.89
72 FPYRKGMSR 0.9
73 RPFRHGMSR 0.9
74 RPFRKGMSR 0.9
75 RPWRHGMSR 0.9
76 RPWRKGMSR 0.9
77 RDWRRGMSR 0.94
78 RDFRRGMSR 0.94
79 FDYRRGMSR 0.94
80 YDWRHGMSR 0.96
81 YDFRHGMSR 0.96
82 YDWRKGMSR 0.96
83 YDFRKGMSR 0.97
84 FDYRKGFSR 1.01
85 RDFRHGFSR 1.01
86 RDWRKGFSR 1.01
87 FDYRHGFSR 1.01
88 RDWRHGFSR 1.01
89 RDFRKGFSR 1.02
90 RPYRKGMSR 1.03
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPFRRGFSR

4.46

-10.4

-5.94
2 FPFRRGMSR

4.7

-10.48

-5.78
3 YPFRRGMSR

4.62

-10.04

-5.42
4 RPYRRGFSR

4.06

-9.43

-5.37
5 FPFRRGFSR

4.41

-9.64

-5.23
6 FPWRRGFSR

4.67

-9.58

-4.91
7 YPWRRGFSR

4.63

-9.5

-4.87
8 FDFRRGFSR

4.58

-9.36

-4.78
9 YPFRRGFSR

4.61

-9.38

-4.77
10 FPWRRGMSR

4.15

-8.85

-4.7
11 RPWRRGFSR

4.5

-9.19

-4.69
12 YPYRRGMSR

4.62

-9.22

-4.6
13 YPWRKGFSR

4.53

-9.05

-4.52
14 YPYRRGFSR

4.59

-9.05

-4.46
15 YPFRKGFSR

4.32

-8.75

-4.43
16 FPYRRGFSR

4.92

-9.35

-4.43
17 YPYRKGFSR

4.51

-8.85

-4.34
18 YDYRRGFSR

4.87

-8.96

-4.09
19 YPWRRGMSR

4.63

-8.63

-4.0
20 YDFRRGFSR

4.72

-8.63

-3.91
21 YPFRHGFSR

4.32

-8.07

-3.75
22 FPWRKGFSR

4.66

-8.4

-3.74
23 FPFRKGFSR

4.4

-8.13

-3.73
24 YPWRHGFSR

4.48

-7.95

-3.47
25 FPYRRGMSR

4.42

-7.82

-3.4
26 YDWRRGFSR

5.08

-8.09

-3.01
27 FPFRHGFSR

4.68

-7.62

-2.94
28 YPYRHGFSR

4.55

-7.45

-2.9
29 FPWRHGFSR

4.64

-7.52

-2.88
30 FDWRRGFSR

4.62

-7.43

-2.81

 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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