Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-19.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 4.641 ΔGbinding 1.184
TOTAL
 5.825
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.540
Van der Waals -5.410 Backbone clash 0.013
Electrostatics 0.512 Helix dipole 0.000
Solvation Polar 6.258 Water bridges -0.001
Solvation Hyd -7.375 Disulfide 0.000
VdW clashes 1.767 Electrost. Kon 0.497
Entropy sc 0.565 Part.cov.bonds 0.000
Entropy mc

5.105

 ΔGstability

93.382
       

Predicted ligand sequences for model [SLA1-D2_1JO8-19.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_1JO8-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRIMFGFHF 0.0
2 RRFMFGFHF 0.04
3 RRVMFGFHF 0.08
4 RRIRFGFHF 0.08
5 RRYMFGFHF 0.1
6 RRIMFGRHF 0.1
7 RRFRFGFHF 0.12
8 RRFMFGRHF 0.14
9 RRVRFGFHF 0.16
10 RRVMFGRHF 0.18
11 RRIRFGRHF 0.18
12 RRYRFGFHF 0.18
13 RRIMFGFHW 0.19
14 RRIMFGWHF 0.2
15 RRYMFGRHF 0.2
16 RRFRFGRHF 0.22
17 RRFMFGFHW 0.23
18 RRFMFGWHF 0.24
19 RRVRFGRHF 0.26
20 RRIRFGFHW 0.26
21 RRVMFGFHW 0.27
22 RRVMFGWHF 0.28
23 RRIRFGWHF 0.28
24 RRYRFGRHF 0.28
25 RRYMFGFHW 0.29
26 RRIMFGRHW 0.29
27 RRFRFGFHW 0.3
28 RRYMFGWHF 0.31
29 RRFRFGWHF 0.32
30 RRFMFGRHW 0.33
31 RRIMFGKHF 0.34
32 RRVRFGFHW 0.34
33 RRVRFGWHF 0.36
34 RRIRFGRHW 0.36
35 RRVMFGRHW 0.37
36 RRYRFGFHW 0.37
37 RRFMFGKHF 0.38
38 RRYRFGWHF 0.39
39 RRYMFGRHW 0.39
40 RRIMFGWHW 0.39
41 RRFRFGRHW 0.4
42 RRIRFGKHF 0.41
43 RRVMFGKHF 0.42
44 RRFMFGWHW 0.43
45 RRVRFGRHW 0.44
46 RRYMFGKHF 0.44
47 RRIMFGFHY 0.45
48 RRFRFGKHF 0.45
49 RRIPFGFHF 0.46
50 RRYRFGRHW 0.47
51 RRVMFGWHW 0.47
52 RRIRFGWHW 0.47
53 RRFMFGFHY 0.49
54 RRVRFGKHF 0.49
55 RRYMFGWHW 0.5
56 RRFPFGFHF 0.5
57 RRFRFGWHW 0.51
58 RRIMFGKHW 0.52
59 RRYRFGKHF 0.52
60 RRVMFGFHY 0.53
61 RRIRFGFHY 0.53
62 RRVPFGFHF 0.54
63 RRVRFGWHW 0.55
64 RRIMFGRHY 0.55
65 RRYMFGFHY 0.56
66 RRIPFGRHF 0.56
67 RRFMFGKHW 0.56
68 RRYRFGWHW 0.57
69 RRFRFGFHY 0.57
70 RRYPFGFHF 0.57
71 RRFMFGRHY 0.59
72 RRVMFGKHW 0.6
73 RRIRFGKHW 0.6
74 RRFPFGRHF 0.6
75 RRVRFGFHY 0.61
76 RRYMFGKHW 0.63
77 RRVMFGRHY 0.63
78 RRYRFGFHY 0.63
79 RRIRFGRHY 0.63
80 RRVPFGRHF 0.64
81 RRFRFGKHW 0.64
82 RRIMFGWHY 0.65
83 RRIPFGFHW 0.65
84 RRYMFGRHY 0.65
85 RRYPFGRHF 0.66
86 RRIPFGWHF 0.66
87 RRFRFGRHY 0.67
88 RRVRFGKHW 0.68
89 RRFMFGWHY 0.69
90 RRFPFGFHW 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFMFGRHF

6.11

-9.88

-3.77
2 RRYMFGFHF

3.72

-7.23

-3.51
3 RRVMFGWHF

4.12

-7.45

-3.33
4 RRVRFGFHF

3.92

-7.17

-3.25
5 RRVRFGRHF

6.03

-9.21

-3.18
6 RRIMFGRHF

6.6

-9.78

-3.18
7 RRYMFGRHF

4.26

-7.29

-3.03
8 RRIMFGWHF

3.6

-6.46

-2.86
9 RRIRFGRHF

4.39

-7.24

-2.85
10 RRIRFGWHF

4.24

-6.96

-2.72
11 RRYMFGFHW

3.28

-5.98

-2.7
12 RRYMFGWHF

4.34

-7.04

-2.7
13 RRVMFGFHF

3.75

-6.31

-2.56
14 RRVMFGRHF

6.61

-9.11

-2.5
15 RRIMFGFHF

4.02

-6.49

-2.47
16 RRFMFGRHW

3.03

-5.47

-2.44
17 RRFMFGFHF

4.21

-6.57

-2.36
18 RRYRFGFHF

4.67

-6.94

-2.27
19 RRIRFGFHW

3.32

-5.51

-2.19
20 RRFRFGRHF

3.84

-6.01

-2.17
21 RRFMFGWHF

4.2

-6.34

-2.14
22 RRFMFGFHW

6.25

-8.34

-2.09
23 RRIRFGFHF

4.09

-6.12

-2.03
24 RRFRFGFHF

6.51

-8.53

-2.02
25 RRVMFGFHW

3.43

-5.36

-1.93
26 RRIMFGRHW

3.76

-5.57

-1.81
27 RRFRFGFHW

4.36

-5.75

-1.39
28 RRIMFGFHW

3.77

-4.38

-0.61
29 RRFRFGWHF

4.44

-4.94

-0.5
30 RRYRFGRHF

4.41

-4.81

-0.4

 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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