Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-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 1.777 ΔGbinding -1.921
TOTAL
 -0.144
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.749
Van der Waals -3.373 Backbone clash 0.000
Electrostatics 0.179 Helix dipole 0.000
Solvation Polar 3.233 Water bridges -0.008
Solvation Hyd -4.563 Disulfide 0.000
VdW clashes 0.024 Electrost. Kon 0.207
Entropy sc 0.479 Part.cov.bonds 0.000
Entropy mc

2.426

 ΔGstability

24.523
       

Predicted ligand sequences for model [RVS167_FMK-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_FMK-SSH-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRMRKMWPF 0.0
2 DDMRKMWPF 0.02
3 DRMRRMWPF 0.03
4 DRMRKRWPF 0.04
5 DDMRRMWPF 0.04
6 DDMRKRWPF 0.06
7 DRMRRRWPF 0.07
8 DDMRRRWPF 0.09
9 DRMRKMWRF 0.09
10 DDMRKMWRF 0.11
11 DRMRRMWRF 0.12
12 DRMRHMWPF 0.12
13 DDMRHMWPF 0.13
14 DRHRKMWPF 0.13
15 DDMRRMWRF 0.13
16 DDHRKMWPF 0.14
17 HRMRKMWPF 0.14
18 DRMRKRWRF 0.14
19 DRIRKMWPF 0.14
20 DDMRKRWRF 0.15
21 DDIRKMWPF 0.15
22 DRHRRMWPF 0.15
23 HDMRKMWPF 0.16
24 DRIRRMWPF 0.16
25 DRMRHRWPF 0.16
26 DRMRRRWRF 0.16
27 HRMRRMWPF 0.17
28 DDHRRMWPF 0.17
29 DRHRKRWPF 0.17
30 DRMPKMWPF 0.18
31 DRMRKMRPF 0.18
32 DDMRHRWPF 0.18
33 DRIRKRWPF 0.18
34 DDMRRRWRF 0.18
35 HDMRRMWPF 0.18
36 DDIRRMWPF 0.18
37 HRMRKRWPF 0.19
38 DDHRKRWPF 0.19
39 DDMRKMRPF 0.19
40 DDMPKMWPF 0.2
41 DRIRRRWPF 0.2
42 DRMRRMRPF 0.2
43 HDMRKRWPF 0.2
44 DRHRRRWPF 0.2
45 DDIRKRWPF 0.2
46 DRMRHMWRF 0.21
47 DRMPRMWPF 0.21
48 HRMRRRWPF 0.21
49 DDHRRRWPF 0.21
50 DRMRKRRPF 0.22
51 DDIRRRWPF 0.22
52 SRMRKMWPF 0.22
53 DDMRRMRPF 0.22
54 DRHRKMWRF 0.22
55 DDMPRMWPF 0.22
56 HRMRKMWRF 0.23
57 DRMPKRWPF 0.23
58 DDMRHMWRF 0.23
59 DRIRKMWRF 0.23
60 HDMRRRWPF 0.23
61 DDIRKMWRF 0.24
62 DDMPKRWPF 0.24
63 DRHRRMWRF 0.24
64 DDMRKRRPF 0.24
65 SDMRKMWPF 0.24
66 DDHRKMWRF 0.24
67 DRHRHMWPF 0.24
68 HDMRKMWRF 0.25
69 DRIRHMWPF 0.25
70 SRMRRMWPF 0.25
71 DRIRRMWRF 0.25
72 DRMPRRWPF 0.25
73 DRMRHRWRF 0.25
74 DRMRRRRPF 0.25
75 DDHRRMWRF 0.26
76 DDMRRRRPF 0.26
77 DRHRKRWRF 0.26
78 DDHRHMWPF 0.26
79 HRMRHMWPF 0.26
80 HRMRRMWRF 0.26
81 SDMRRMWPF 0.27
82 DDMRHRWRF 0.27
83 SRMRKRWPF 0.27
84 DRMRKMRRF 0.27
85 DDIRRMWRF 0.27
86 DRIRKRWRF 0.27
87 DRMPKMWRF 0.27
88 DDMPRRWPF 0.27
89 HRHRKMWPF 0.27
90 DDIRHMWPF 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRMRKMWRF

2.21

-10.16

-7.95
2 HDMRKMWPF

2.3

-9.68

-7.38
3 DRMRKMWPF

2.16

-9.34

-7.18
4 DRMRRMWPF

2.03

-9.2

-7.17
5 DDMRKMWRF

2.01

-8.98

-6.97
6 DRMRRMWRF

2.4

-9.36

-6.96
7 DRMRHMWPF

2.05

-8.93

-6.88
8 DDHRKMWPF

2.41

-9.28

-6.87
9 DRMRKRWRF

2.24

-9.08

-6.84
10 DRMPKMWPF

2.01

-8.7

-6.69
11 DDHRRMWPF

2.36

-8.96

-6.6
12 DDIRKMWPF

2.23

-8.69

-6.46
13 DDMRHMWPF

2.22

-8.64

-6.42
14 DDMRRMWRF

2.02

-8.41

-6.39
15 HRMRKMWPF

2.13

-8.4

-6.27
16 DRMRKRWPF

2.31

-8.58

-6.27
17 DRIRKMWPF

2.23

-8.41

-6.18
18 DDMRKRWRF

2.28

-8.42

-6.14
19 DRHRKMWPF

1.99

-8.1

-6.11
20 DRMRRRWRF

2.18

-8.28

-6.1
21 DRIRRMWPF

2.15

-8.24

-6.09
22 DRMRHRWPF

2.15

-8.2

-6.05
23 DRMRRRWPF

2.25

-8.24

-5.99
24 DDMRRMWPF

2.3

-8.28

-5.98
25 DDMRKMWPF

2.47

-8.31

-5.84
26 DRHRRMWPF

2.15

-7.81

-5.66
27 HRMRRMWPF

2.02

-7.65

-5.63
28 DDMRKRWPF

2.17

-7.69

-5.52
29 DDMRRRWPF

2.24

-7.35

-5.11
30 DRHRKRWPF

2.39

-6.69

-4.3

 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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