Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-16.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 6.492 ΔGbinding 4.003
TOTAL
 10.495
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.347
Van der Waals -4.144 Backbone clash 0.364
Electrostatics 0.817 Helix dipole 0.000
Solvation Polar 4.923 Water bridges 0.005
Solvation Hyd -5.852 Disulfide 0.000
VdW clashes 4.621 Electrost. Kon 0.724
Entropy sc 0.581 Part.cov.bonds 0.000
Entropy mc

3.257

 ΔGstability

108.101
       

Predicted ligand sequences for model [SLA1-D1_2A28-16.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-D1_2A28-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPIKSRRF 0.0
2 FPPINSRRF 0.02
3 FPRIKSRRF 0.04
4 FPHIKSRRF 0.04
5 FPRINSRRF 0.06
6 FPPISSRRF 0.06
7 FPHINSRRF 0.06
8 FPPMKSRRF 0.06
9 FPPMNSRRF 0.08
10 FPRMKSRRF 0.09
11 FPHMKSRRF 0.1
12 FPRISSRRF 0.1
13 FPHISSRRF 0.1
14 FPHMNSRRF 0.12
15 FPPMSSRRF 0.12
16 FPRMNSRRF 0.12
17 FPRMSSRRF 0.15
18 FPPIKGRRF 0.16
19 FPHMSSRRF 0.16
20 FPPINGRRF 0.18
21 FPRIKGRRF 0.2
22 FPHIKGRRF 0.2
23 FPPMKGRRF 0.22
24 FPPISGRRF 0.22
25 FPRINGRRF 0.22
26 FPHINGRRF 0.23
27 FPPMNGRRF 0.24
28 FPPRKSRRF 0.24
29 FPRMKGRRF 0.26
30 FPRISGRRF 0.26
31 FPHISGRRF 0.26
32 FPHMKGRRF 0.26
33 FPPRNSRRF 0.27
34 FPHMNGRRF 0.28
35 FPRMNGRRF 0.28
36 FPRRKSRRF 0.28
37 FPHRKSRRF 0.28
38 FPPMSGRRF 0.28
39 FPRRNSRRF 0.3
40 FPHRNSRRF 0.31
41 FPPRSSRRF 0.31
42 FPHMSGRRF 0.32
43 FPRMSGRRF 0.32
44 FPRRSSRRF 0.34
45 FPHRSSRRF 0.35
46 FPPRKGRRF 0.41
47 FPPRNGRRF 0.43
48 FPRRKGRRF 0.44
49 FPPIKSRRY 0.44
50 FPHRKGRRF 0.45
51 FPPINSRRY 0.46
52 FPRIKSRRY 0.47
53 FPRRNGRRF 0.47
54 FPHRNGRRF 0.47
55 FPPRSGRRF 0.47
56 FPHIKSRRY 0.48
57 FPRINSRRY 0.5
58 FPRRSGRRF 0.5
59 FPHINSRRY 0.5
60 FPPISSRRY 0.5
61 FPPMKSRRY 0.5
62 FPHRSGRRF 0.51
63 FPPMNSRRY 0.52
64 FPRMKSRRY 0.53
65 FPHISSRRY 0.54
66 FPHMKSRRY 0.54
67 FPRISSRRY 0.54
68 FPRMNSRRY 0.55
69 FPPMSSRRY 0.56
70 FPHMNSRRY 0.56
71 FPRMSSRRY 0.59
72 FPPIKGRRY 0.6
73 FPHMSSRRY 0.6
74 FPPINGRRY 0.62
75 FPRIKGRRY 0.64
76 FPHIKGRRY 0.64
77 FPPISGRRY 0.66
78 FPPMKGRRY 0.66
79 FPHINGRRY 0.66
80 FPRINGRRY 0.66
81 FPPMNGRRY 0.68
82 FPPRKSRRY 0.68
83 FPRMKGRRY 0.69
84 FPRISGRRY 0.7
85 FPHMKGRRY 0.7
86 FPHISGRRY 0.7
87 FPPRNSRRY 0.71
88 FPHMNGRRY 0.72
89 FPRMNGRRY 0.72
90 FPRRKSRRY 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPIKGRRF

6.54

-9.4

-2.86
2 FPPMKGRRF

6.35

-8.37

-2.02
3 FPHIKGRRF

6.39

-8.18

-1.79
4 FPRIKGRRF

6.87

-8.57

-1.7
5 FPRMKGRRF

6.77

-8.46

-1.69
6 FPPMNGRRF

6.36

-8.03

-1.67
7 FPPISGRRF

6.04

-7.58

-1.54
8 FPRINGRRF

7.06

-8.43

-1.37
9 FPRISGRRF

6.54

-7.08

-0.54
10 FPPMKSRRF

9.0

-9.25

-0.25
11 FPHISSRRF

7.58

-7.79

-0.21
12 FPRIKSRRF

8.68

-8.88

-0.2
13 FPHMNSRRF

7.82

-7.99

-0.17
14 FPHIKSRRF

8.47

-8.38

0.09
15 FPRMSSRRF

8.6

-8.45

0.15
16 FPPINGRRF

6.56

-6.38

0.18
17 FPRMKSRRF

8.86

-8.64

0.22
18 FPPMNSRRF

8.46

-8.01

0.45
19 FPHINSRRF

7.75

-7.29

0.46
20 FPPMSSRRF

8.8

-8.31

0.49
21 FPPISSRRF

8.25

-7.71

0.54
22 FPHMKSRRF

8.87

-8.26

0.61
23 FPHINGRRF

7.42

-6.8

0.62
24 FPHMSSRRF

8.65

-7.98

0.67
25 FPRMNSRRF

7.49

-6.78

0.71
26 FPPIKSRRF

8.62

-7.88

0.74
27 FPRISSRRF

8.59

-7.79

0.8
28 FPRINSRRF

8.61

-7.69

0.92
29 FPPRKSRRF

8.92

-7.31

1.61
30 FPPINSRRF

8.32

-5.98

2.34

 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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