Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1OV33-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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    

(Help)

Intraclash 1.135 ΔGbinding 0.936
TOTAL
 2.071
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.366
Van der Waals -3.211 Backbone clash 0.115
Electrostatics 0.174 Helix dipole 0.000
Solvation Polar 3.240 Water bridges -0.016
Solvation Hyd -4.481 Disulfide 0.000
VdW clashes 2.644 Electrost. Kon 0.153
Entropy sc 0.521 Part.cov.bonds 0.000
Entropy mc

2.820

 ΔGstability

64.216
       

Predicted ligand sequences for model [SLA1-D2_1OV33-13.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).
 
  SLA1-D2_1OV33-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRIPFMF 0.0
2 RMRIPFMK 0.06
3 RMRIPFMR 0.06
4 RMPIPFMF 0.18
5 RMRLPFMF 0.18
6 RMKIPFMF 0.19
7 RMPIPFMR 0.24
8 RMPIPFMK 0.24
9 RMRLPFMR 0.24
10 RMRLPFMK 0.24
11 RFRIPFMF 0.24
12 RMKIPFMK 0.25
13 RMRRPFMF 0.25
14 RMKIPFMR 0.26
15 RFRIPFMR 0.3
16 RFRIPFMK 0.3
17 RWRIPFMF 0.31
18 RMRRPFMK 0.31
19 RMRRPFMR 0.31
20 RMPLPFMF 0.35
21 RMKLPFMF 0.37
22 RMRIPFRF 0.37
23 RWRIPFMK 0.37
24 RWRIPFMR 0.38
25 RMRIPFIF 0.38
26 RMPLPFMK 0.41
27 RMPRPFMF 0.42
28 RMPLPFMR 0.42
29 RFPIPFMF 0.42
30 RFRLPFMF 0.42
31 RFKIPFMF 0.43
32 RMKLPFMK 0.43
33 RMRIPFRR 0.43
34 RMRIPFRK 0.43
35 RMKLPFMR 0.43
36 RMRIPFIK 0.44
37 RMRIPFIR 0.44
38 RMKRPFMF 0.44
39 RMPRPFMK 0.48
40 RFPIPFMK 0.48
41 RFPIPFMR 0.48
42 RFRLPFMR 0.48
43 RFRLPFMK 0.48
44 RFKIPFMK 0.49
45 RMPRPFMR 0.49
46 RFRRPFMF 0.49
47 RWRLPFMF 0.49
48 RWPIPFMF 0.49
49 RFKIPFMR 0.5
50 RMKRPFMR 0.5
51 RMKRPFMK 0.5
52 RWKIPFMF 0.51
53 RMPIPFRF 0.55
54 RMRLPFRF 0.55
55 RFRRPFMK 0.55
56 RFRRPFMR 0.55
57 RWRLPFMK 0.55
58 RWPIPFMR 0.55
59 RWPIPFMK 0.55
60 RMPIPFIF 0.56
61 RMKIPFRF 0.56
62 RWRLPFMR 0.56
63 RWRRPFMF 0.56
64 RMRLPFIF 0.56
65 RWKIPFMK 0.57
66 RMKIPFIF 0.57
67 RWKIPFMR 0.57
68 RFPLPFMF 0.6
69 RFRIPFRF 0.61
70 RMPIPFRK 0.61
71 RMPIPFRR 0.61
72 RMRLPFRK 0.61
73 RFKLPFMF 0.61
74 RMRLPFRR 0.61
75 RMPIPFIK 0.62
76 RMPIPFIR 0.62
77 RFRIPFIF 0.62
78 RMRRPFRF 0.62
79 RMKIPFRK 0.62
80 RWRRPFMR 0.62
81 RWRRPFMK 0.62
82 RMRLPFIK 0.62
83 RMRLPFIR 0.62
84 RMRRPFIF 0.63
85 RMKIPFRR 0.63
86 RMKIPFIK 0.63
87 RMKIPFIR 0.64
88 RFPLPFMK 0.66
89 RFPLPFMR 0.66
90 RFRIPFRK 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMPLPFMR

4.19

-10.32

-6.13
2 RMRIPFMK

3.54

-9.06

-5.52
3 RMRLPFMR

3.19

-8.54

-5.35
4 RMKLPFMF

2.68

-7.98

-5.3
5 RMPLPFMK

3.11

-8.31

-5.2
6 RMRLPFMK

2.54

-7.55

-5.01
7 RMPLPFMF

3.47

-8.14

-4.67
8 RFRLPFMF

2.68

-7.19

-4.51
9 RMPIPFMR

3.11

-7.52

-4.41
10 RMRLPFMF

3.45

-7.79

-4.34
11 RMRIPFMR

3.66

-7.76

-4.1
12 RMRIPFMF

3.14

-7.1

-3.96
13 RMRRPFMK

3.46

-7.13

-3.67
14 RMPRPFMF

3.42

-7.09

-3.67
15 RMKIPFMR

3.3

-6.96

-3.66
16 RMRRPFMR

3.42

-6.93

-3.51
17 RMKIPFMF

3.55

-7.05

-3.5
18 RMRRPFMF

3.44

-6.82

-3.38
19 RFPIPFMF

2.89

-6.26

-3.37
20 RMPIPFMF

3.29

-6.61

-3.32
21 RFRIPFMR

3.75

-7.01

-3.26
22 RMRIPFRF

3.44

-6.63

-3.19
23 RMPIPFMK

3.48

-6.57

-3.09
24 RMKIPFMK

3.31

-6.3

-2.99
25 RWRIPFMR

3.58

-6.49

-2.91
26 RMRIPFIF

4.67

-7.4

-2.73
27 RWRIPFMK

3.24

-5.94

-2.7
28 RFRIPFMK

3.12

-5.66

-2.54
29 RFRIPFMF

3.29

-5.83

-2.54
30 RWRIPFMF

3.91

-6.29

-2.38

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER