Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-21.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
 G
G
 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 4.998 ΔGbinding 0.662
TOTAL
 5.660
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.142
Van der Waals -1.994 Backbone clash 0.232
Electrostatics 0.103 Helix dipole 0.000
Solvation Polar 2.264 Water bridges 0.021
Solvation Hyd -2.848 Disulfide 0.000
VdW clashes 1.922 Electrost. Kon 0.049
Entropy sc 0.287 Part.cov.bonds 0.000
Entropy mc

1.991

 ΔGstability

113.849
       

Predicted ligand sequences for model [SLA1-D1_2A28-21.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-D1_2A28-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 YSRFGRPTMH 0.0
2 YSKFGRPTMH 0.12
3 YSRFGRPRMH 0.12
4 YSFFGRPTMH 0.17
5 YSRFHRPTMH 0.2
6 YSKFGRPRMH 0.24
7 YSFFGRPRMH 0.29
8 YSKFHRPTMH 0.32
9 YSRFHRPRMH 0.33
10 YSRFGRTTMH 0.35
11 YSFFHRPTMH 0.37
12 YSKFHRPRMH 0.45
13 YSKFGRTTMH 0.46
14 YSRFRRPTMH 0.47
15 YSRFGRTRMH 0.47
16 YSRFGRPTFH 0.47
17 YSRFGRETMH 0.48
18 YSFFHRPRMH 0.49
19 YSFFGRTTMH 0.51
20 YSRFHRTTMH 0.55
21 YSKFRRPTMH 0.58
22 YSRFGRPRFH 0.59
23 YSKFGRETMH 0.59
24 YSKFGRTRMH 0.59
25 YSRFRRPRMH 0.59
26 YSKFGRPTFH 0.59
27 YSRFGRERMH 0.6
28 YSFFRRPTMH 0.63
29 YSFFGRTRMH 0.64
30 YSFFGRPTFH 0.64
31 YSFFGRETMH 0.64
32 YSKFHRTTMH 0.67
33 YSRFHRTRMH 0.67
34 YSRFHRETMH 0.68
35 YSRFHRPTFH 0.68
36 YSKFGRPRFH 0.71
37 YSKFRRPRMH 0.71
38 YSKFGRERMH 0.72
39 YSFFHRTTMH 0.72
40 YSFFRRPRMH 0.76
41 YSFFGRPRFH 0.76
42 YSFFGRERMH 0.77
43 YSKFHRPTFH 0.79
44 YSKFHRTRMH 0.79
45 YSKFHRETMH 0.8
46 YSRFHRPRFH 0.8
47 YSRFHRERMH 0.8
48 YSRFRRTTMH 0.81
49 YSRFGRTTFH 0.82
50 YSFFHRTRMH 0.84
51 YSFFHRPTFH 0.84
52 YSFFHRETMH 0.85
53 YSKFHRPRFH 0.92
54 YSKFHRERMH 0.92
55 YSKFRRTTMH 0.93
56 YSRFRRTRMH 0.94
57 YSRFGRTRFH 0.94
58 YSRFRRPTFH 0.94
59 YSRFRRETMH 0.94
60 YSKFGRTTFH 0.94
61 YSRFGRETFH 0.95
62 YSFFHRPRFH 0.97
63 YSFFHRERMH 0.97
64 YSFFGRTTFH 0.98
65 YSFFRRTTMH 0.98
66 YSRFHRTTFH 1.02
67 YSKFRRTRMH 1.05
68 YSRFRRPRFH 1.06
69 YSKFGRETFH 1.06
70 YSKFRRPTFH 1.06
71 YSKFGRTRFH 1.06
72 YSKFRRETMH 1.06
73 YSRFRRERMH 1.07
74 YSRFGRERFH 1.07
75 YSFFRRPTFH 1.1
76 YSFFRRTRMH 1.1
77 YSFFGRETFH 1.11
78 YSFFGRTRFH 1.11
79 YSFFRRETMH 1.11
80 YSKFHRTTFH 1.14
81 YSRFHRETFH 1.15
82 YSRFHRTRFH 1.15
83 YSKFRRERMH 1.18
84 YSKFRRPRFH 1.18
85 YSFFHRTTFH 1.19
86 YSKFGRERFH 1.19
87 YSFFRRPRFH 1.23
88 YSFFRRERMH 1.23
89 YSFFGRERFH 1.24
90 YSKFHRTRFH 1.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YSRFGRPRMH

6.68

-8.52

-1.84
2 YSRFGRERMH

6.85

-8.45

-1.6
3 YSKFGRTRMH

7.09

-8.12

-1.03
4 YSFFGRPTMH

7.01

-7.95

-0.94
5 YSFFGRTTMH

6.64

-7.47

-0.83
6 YSKFGRPRMH

6.77

-7.43

-0.66
7 YSRFGRTRMH

6.8

-7.46

-0.66
8 YSFFGRPRMH

6.37

-6.77

-0.4
9 YSFFGRTRMH

7.64

-7.93

-0.29
10 YSKFGRPTMH

6.64

-6.88

-0.24
11 YSRFGRTTMH

6.87

-7.0

-0.13
12 YSRFGRETMH

6.81

-6.92

-0.11
13 YSRFGRPTMH

7.6

-7.58

0.02
14 YSRFGRPTFH

6.64

-6.52

0.12
15 YSFFGRPTFH

6.88

-6.73

0.15
16 YSKFGRTTMH

6.73

-6.53

0.2
17 YSRFGRPRFH

6.68

-6.45

0.23
18 YSKFGRETMH

6.88

-6.57

0.31
19 YSRFHRTTMH

8.64

-8.2

0.44
20 YSKFHRPTMH

8.54

-7.79

0.75
21 YSKFHRPRMH

9.1

-8.28

0.82
22 YSRFHRPRMH

8.87

-7.86

1.01
23 YSRFRRPRMH

9.31

-8.02

1.29
24 YSFFHRPRMH

9.03

-7.63

1.4
25 YSKFRRPTMH

9.38

-7.88

1.5
26 YSRFRRPTMH

9.01

-7.49

1.52
27 YSKFGRPTFH

7.13

-5.36

1.77
28 YSRFHRPTMH

8.82

-6.92

1.9
29 YSFFRRPTMH

9.88

-7.6

2.28
30 YSFFHRPTMH

9.22

-6.82

2.4

 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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