Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-28.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
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 1.630 ΔGbinding -2.329
TOTAL
 -0.699
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.347
Van der Waals -4.241 Backbone clash 0.037
Electrostatics 0.137 Helix dipole 0.000
Solvation Polar 4.288 Water bridges -0.271
Solvation Hyd -5.916 Disulfide 0.000
VdW clashes 0.294 Electrost. Kon 0.155
Entropy sc 0.993 Part.cov.bonds 0.000
Entropy mc

4.434

 ΔGstability

28.131
       

Predicted ligand sequences for model [RVS167_FMK-SSH-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRTMWPMKRM 0.0
2 RRTMWRMKRM 0.03
3 RDTMWPMKRM 0.04
4 RRTMWKMKRM 0.04
5 RRTMWPMPRM 0.04
6 RRTMWPMRRM 0.06
7 RRTMWRMPRM 0.07
8 RDTMWRMKRM 0.07
9 RDTMWPMPRM 0.08
10 RDTMWKMKRM 0.08
11 RRTMWKMPRM 0.08
12 YRTMWPMKRM 0.09
13 RRTMWRMRRM 0.09
14 RKTMWPMKRM 0.09
15 RRTMWKMRRM 0.1
16 RKTMWRMKRM 0.11
17 RDTMWRMPRM 0.11
18 RDTMWPMRRM 0.11
19 RRTMWPMKRY 0.11
20 YRTMWRMKRM 0.11
21 RRTMWPMKRK 0.11
22 RDTMWKMPRM 0.12
23 RKTMWKMKRM 0.12
24 RDTMWRMRRM 0.13
25 YDTMWPMKRM 0.13
26 RKTMWPMPRM 0.13
27 YRTMWPMPRM 0.13
28 YRTMWKMKRM 0.13
29 RRTMWRMKRY 0.14
30 RRTMWRMKRK 0.14
31 RDTMWKMRRM 0.14
32 YRTMWRMPRM 0.15
33 RKTMWPMRRM 0.15
34 RDTMWPMKRY 0.15
35 RDTMWPMKRK 0.15
36 RRTMWKMKRY 0.15
37 RRTMWKMKRK 0.15
38 RKTMWRMPRM 0.15
39 RRTMWPMPRK 0.15
40 RRTMWPMPRY 0.15
41 YRTMWPMRRM 0.15
42 YDTMWRMKRM 0.16
43 YDTMWKMKRM 0.17
44 RKTMWKMPRM 0.17
45 YKTMWPMKRM 0.17
46 YRTMWKMPRM 0.17
47 RRTMWPMRRY 0.17
48 YDTMWPMPRM 0.17
49 RKTMWRMRRM 0.18
50 RRTMWPMRRK 0.18
51 RRTMWRMPRK 0.18
52 RRTMWRMPRY 0.18
53 YRTMWRMRRM 0.18
54 RDTMWRMKRY 0.18
55 RDTMWRMKRK 0.18
56 RKTMWKMRRM 0.19
57 YRTMWKMRRM 0.19
58 RDTMWKMKRK 0.19
59 RRTMWKMPRY 0.19
60 RRTMWKMPRK 0.19
61 RDTMWKMKRY 0.19
62 YRTMWPMKRY 0.2
63 YRTMWPMKRK 0.2
64 YKTMWRMKRM 0.2
65 RRTMWRMRRK 0.2
66 RRTMWRMRRY 0.2
67 RDTMWPMPRY 0.2
68 RDTMWPMPRK 0.2
69 YDTMWPMRRM 0.2
70 YDTMWRMPRM 0.2
71 RKTMWPMKRY 0.2
72 RKTMWPMKRK 0.2
73 YKTMWKMKRM 0.21
74 RRTMWKMRRY 0.21
75 RRTMWKMRRK 0.21
76 YDTMWKMPRM 0.21
77 RKTMWRMKRY 0.22
78 RKTMWRMKRK 0.22
79 RDTMWRMPRY 0.22
80 RDTMWRMPRK 0.22
81 RDTMWPMRRY 0.22
82 RDTMWPMRRK 0.22
83 YDTMWRMRRM 0.22
84 YKTMWPMPRM 0.22
85 YRTMWRMKRY 0.22
86 YRTMWRMKRK 0.22
87 RDTMWKMPRK 0.23
88 RDTMWKMPRY 0.23
89 YDTMWKMRRM 0.23
90 YKTMWRMPRM 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRTMWPMKRY

2.95

-13.32

-10.37
2 RRTMWPMKRM

2.8

-12.61

-9.81
3 YRTMWPMKRM

2.49

-12.19

-9.7
4 RKTMWPMPRM

2.63

-12.14

-9.51
5 RRTMWRMKRK

3.34

-12.39

-9.05
6 RRTMWRMRRM

2.97

-11.78

-8.81
7 RRTMWPMRRM

2.65

-11.36

-8.71
8 RRTMWRMKRY

2.74

-11.43

-8.69
9 RRTMWPMKRK

2.32

-11.0

-8.68
10 RRTMWPMPRM

2.86

-11.34

-8.48
11 RDTMWPMKRM

2.84

-11.2

-8.36
12 RRTMWKMPRM

2.7

-10.89

-8.19
13 RRTMWRMKRM

2.53

-10.69

-8.16
14 RDTMWRMRRM

2.25

-10.33

-8.08
15 RKTMWKMKRM

2.34

-10.33

-7.99
16 RRTMWRMPRM

2.91

-10.82

-7.91
17 RDTMWRMKRM

2.47

-10.35

-7.88
18 RKTMWRMKRM

2.23

-10.04

-7.81
19 YRTMWRMKRM

2.51

-10.09

-7.58
20 YRTMWKMKRM

2.37

-9.91

-7.54
21 RRTMWKMKRM

2.44

-9.96

-7.52
22 RKTMWPMKRM

2.49

-9.97

-7.48
23 YRTMWPMPRM

2.67

-10.13

-7.46
24 RDTMWRMPRM

2.74

-10.12

-7.38
25 YDTMWPMKRM

2.3

-9.35

-7.05
26 RDTMWPMPRM

2.98

-9.88

-6.9
27 RRTMWKMRRM

2.87

-9.75

-6.88
28 RDTMWKMKRM

2.31

-9.16

-6.85
29 RDTMWPMRRM

2.66

-9.4

-6.74
30 RDTMWKMPRM

2.6

-8.82

-6.22

 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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