Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-16.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 2.035 ΔGbinding 1.674
TOTAL
 3.709
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.396
Van der Waals -3.321 Backbone clash 0.187
Electrostatics 0.467 Helix dipole 0.000
Solvation Polar 3.662 Water bridges -0.060
Solvation Hyd -4.979 Disulfide 0.000
VdW clashes 2.077 Electrost. Kon 0.490
Entropy sc 0.491 Part.cov.bonds 0.000
Entropy mc

2.451

 ΔGstability

18.931
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-16.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-D3_1Z9Z-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPINSRRW 0.0
2 YPPINSRRW 0.04
3 RPHINSRRW 0.09
4 RPKINSRRW 0.1
5 YPHINSRRW 0.13
6 YPKINSRRW 0.14
7 RMPINSRRW 0.15
8 RPPMNSRRW 0.16
9 YMPINSRRW 0.18
10 RPPINSRRF 0.18
11 RPPINGRRW 0.2
12 YPPMNSRRW 0.2
13 YPPINSRRF 0.22
14 RPPINSRRP 0.22
15 YPPINGRRW 0.23
16 RMHINSRRW 0.24
17 RLPINSRRW 0.24
18 RPHMNSRRW 0.25
19 RMKINSRRW 0.25
20 YPPINSRRP 0.26
21 RPKMNSRRW 0.26
22 YMHINSRRW 0.27
23 RPHINSRRF 0.27
24 YMKINSRRW 0.28
25 YLPINSRRW 0.28
26 RPKINSRRF 0.28
27 RPHINGRRW 0.28
28 YPHMNSRRW 0.29
29 RPKINGRRW 0.3
30 YPKMNSRRW 0.3
31 RPPLNSRRW 0.3
32 RMPMNSRRW 0.31
33 YPHINSRRF 0.31
34 RPHINSRRP 0.31
35 YPHINGRRW 0.32
36 YPKINSRRF 0.32
37 RPKINSRRP 0.32
38 RMPINSRRF 0.33
39 YPKINGRRW 0.33
40 RLHINSRRW 0.33
41 YMPMNSRRW 0.34
42 RMPINGRRW 0.34
43 YPHINSRRP 0.34
44 RLKINSRRW 0.34
45 RPPMNSRRF 0.34
46 YPPLNSRRW 0.34
47 YPKINSRRP 0.35
48 RPPMNGRRW 0.35
49 RMPINSRRP 0.36
50 YMPINSRRF 0.36
51 YLHINSRRW 0.37
52 YMPINGRRW 0.38
53 RPPINGRRF 0.38
54 YPPMNSRRF 0.38
55 YLKINSRRW 0.38
56 RPPMNSRRP 0.38
57 RPHLNSRRW 0.39
58 YPPMNGRRW 0.39
59 RPKLNSRRW 0.4
60 RLPMNSRRW 0.4
61 YMPINSRRP 0.4
62 RMHMNSRRW 0.4
63 YPPINGRRF 0.41
64 RPPINGRRP 0.41
65 RMKMNSRRW 0.41
66 RMHINSRRF 0.42
67 RLPINSRRF 0.42
68 YPHLNSRRW 0.42
69 YPPMNSRRP 0.42
70 RPHMNSRRF 0.43
71 RPPINSRHW 0.43
72 YMHMNSRRW 0.43
73 RMHINGRRW 0.43
74 RMKINSRRF 0.43
75 RMKINGRRW 0.44
76 RLPINGRRW 0.44
77 YLPMNSRRW 0.44
78 YPKLNSRRW 0.44
79 YMKMNSRRW 0.44
80 RPKMNSRRF 0.44
81 RPHMNGRRW 0.44
82 RMHINSRRP 0.45
83 YPPINGRRP 0.45
84 YMHINSRRF 0.45
85 RMPLNSRRW 0.45
86 RLPINSRRP 0.46
87 YLPINSRRF 0.46
88 RMKINSRRP 0.46
89 RPKMNGRRW 0.46
90 YPPINSRHW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPINSRRP

2.91

-6.47

-3.56
2 RPKINGRRW

2.74

-4.95

-2.21
3 RPKINSRRF

3.69

-5.37

-1.68
4 RPPINGRRW

2.67

-4.33

-1.66
5 YPPINSRRP

2.98

-4.58

-1.6
6 RPHINGRRW

2.21

-3.78

-1.57
7 RPHINSRRF

3.44

-4.54

-1.1
8 YPPINGRRW

2.44

-3.51

-1.07
9 YPHMNSRRW

2.82

-3.79

-0.97
10 RPKMNSRRW

3.27

-4.12

-0.85
11 RPHINSRRW

3.17

-3.96

-0.79
12 YMHINSRRW

2.95

-3.6

-0.65
13 RPPINSRRF

3.71

-4.34

-0.63
14 RPKINSRRW

3.51

-4.14

-0.63
15 RPPINSRRW

3.85

-4.31

-0.46
16 YPPINSRRF

3.39

-3.72

-0.33
17 YPKMNSRRW

3.18

-3.4

-0.22
18 RMHINSRRW

3.75

-3.76

-0.01
19 YPPINSRRW

2.95

-2.95

0.0
20 RLPINSRRW

4.26

-4.24

0.02
21 RPHMNSRRW

3.5

-3.46

0.04
22 RPPMNSRRW

3.46

-3.35

0.11
23 YPPMNSRRW

4.11

-3.91

0.2
24 RMKINSRRW

4.38

-4.0

0.38
25 YMKINSRRW

3.73

-3.3

0.43
26 RMPINSRRW

3.5

-3.04

0.46
27 YLPINSRRW

3.63

-3.03

0.6
28 YMPINSRRW

3.19

-2.57

0.62
29 YPKINSRRW

3.86

-3.23

0.63
30 YPHINSRRW

4.13

-1.96

2.17

 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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