Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 3.924 ΔGbinding 2.325
TOTAL
 6.249
Backbone Hb -0.187 Cis_bond 0.000
Sidechain Hb -0.188 Torsional clash 0.553
Van der Waals -5.194 Backbone clash 0.216
Electrostatics -0.831 Helix dipole 0.000
Solvation Polar 6.644 Water bridges -0.031
Solvation Hyd -7.574 Disulfide 0.000
VdW clashes 2.974 Electrost. Kon -0.673
Entropy sc 1.346 Part.cov.bonds 0.000
Entropy mc

5.486

 ΔGstability

51.907
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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-D3_UJ0-CSK-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPKRYGRRI 0.0
2 RPKRHGRRI 0.03
3 RPRRYGRRI 0.04
4 RPRRHGRRI 0.07
5 RPKKYGRRI 0.21
6 RMKRYGRRI 0.22
7 RPKRYGRRW 0.22
8 RPKKHGRRI 0.24
9 RPRKYGRRI 0.25
10 RMKRHGRRI 0.25
11 RPKRHGRRW 0.25
12 RPFRYGRRI 0.25
13 RPRRYGRRW 0.26
14 RMRRYGRRI 0.26
15 RPRKHGRRI 0.28
16 RPKRNGRRI 0.28
17 RPFRHGRRI 0.28
18 RPRRHGRRW 0.29
19 RMRRHGRRI 0.29
20 RPRRNGRRI 0.32
21 RPKRYGRFI 0.42
22 RPKKYGRRW 0.44
23 RMKKYGRRI 0.44
24 RPRRYGRFI 0.45
25 RMKRYGRRW 0.45
26 RPKRHGRFI 0.45
27 RPRKYGRRW 0.47
28 RMKKHGRRI 0.47
29 RPKKHGRRW 0.47
30 RMRKYGRRI 0.47
31 RPFKYGRRI 0.47
32 RMFRYGRRI 0.48
33 RPRRHGRFI 0.48
34 RMKRHGRRW 0.48
35 RPFRYGRRW 0.48
36 RMRRYGRRW 0.48
37 RPFKHGRRI 0.5
38 RPRKHGRRW 0.5
39 RPKKNGRRI 0.5
40 RMKRNGRRI 0.51
41 RMRRHGRRW 0.51
42 RPKRNGRRW 0.51
43 RMFRHGRRI 0.51
44 RPFRHGRRW 0.51
45 RMRKHGRRI 0.51
46 RPRKNGRRI 0.53
47 RPRRNGRRW 0.54
48 RPFRNGRRI 0.54
49 RMRRNGRRI 0.54
50 RPKKYGRFI 0.63
51 RMKRYGRFI 0.64
52 RPKRYGRFW 0.64
53 RMKKYGRRW 0.66
54 RPKKHGRFI 0.66
55 RPKRHGRFW 0.67
56 RPRKYGRFI 0.67
57 RPFRYGRFI 0.67
58 RMKRHGRFI 0.67
59 RMRRYGRFI 0.68
60 RPRRYGRFW 0.68
61 RMFKYGRRI 0.69
62 RMKKHGRRW 0.69
63 RPFKYGRRW 0.69
64 RMFRYGRRW 0.7
65 RPKRNGRFI 0.7
66 RPFRHGRFI 0.7
67 RMRKYGRRW 0.7
68 RPRKHGRFI 0.7
69 RMRRHGRFI 0.71
70 RPRRHGRFW 0.71
71 RPFKHGRRW 0.72
72 RMFKHGRRI 0.72
73 RPKKNGRRW 0.72
74 RMKKNGRRI 0.72
75 RMRKHGRRW 0.73
76 RMKRNGRRW 0.73
77 RMFRHGRRW 0.73
78 RPRRNGRFI 0.74
79 RPFKNGRRI 0.75
80 RPFRNGRRW 0.76
81 RPRKNGRRW 0.76
82 RMRKNGRRI 0.76
83 RMFRNGRRI 0.76
84 RMRRNGRRW 0.77
85 RPKKYGRFW 0.85
86 RMKRYGRFW 0.86
87 RMKKYGRFI 0.86
88 RPKKHGRFW 0.88
89 RMRKYGRFI 0.89
90 RPFKYGRFI 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMKRHGRRI

3.33

-10.63

-7.3
2 RPRRYGRRI

3.04

-9.92

-6.88
3 RPKKYGRRI

2.65

-9.28

-6.63
4 RMRRHGRRI

3.22

-9.09

-5.87
5 RMRRYGRRI

2.66

-8.4

-5.74
6 RMKRYGRRI

3.37

-8.87

-5.5
7 RMKKHGRRI

3.17

-8.12

-4.95
8 RPRRNGRRI

3.23

-8.17

-4.94
9 RPKRYGRRI

2.94

-7.88

-4.94
10 RMKRYGRRW

2.28

-7.17

-4.89
11 RMKKYGRRI

3.16

-7.96

-4.8
12 RPRRYGRRW

2.16

-6.86

-4.7
13 RPRKYGRRI

2.66

-7.19

-4.53
14 RPKRNGRRI

3.08

-7.58

-4.5
15 RPKRYGRFI

3.04

-7.4

-4.36
16 RMRKYGRRI

2.71

-6.99

-4.28
17 RPFRYGRRI

3.75

-7.99

-4.24
18 RPRKYGRRW

2.11

-6.31

-4.2
19 RPRRHGRRI

3.22

-7.17

-3.95
20 RPKRHGRRW

2.11

-5.84

-3.73
21 RPKKHGRRI

3.09

-6.8

-3.71
22 RPKKHGRRW

2.2

-5.84

-3.64
23 RPRRYGRFI

3.0

-6.28

-3.28
24 RPKRHGRRI

2.14

-5.36

-3.22
25 RPKRYGRRW

2.12

-5.3

-3.18
26 RPRKHGRRI

3.3

-6.32

-3.02
27 RPKRHGRFI

3.11

-5.62

-2.51
28 RPRRHGRRW

2.2

-4.66

-2.46
29 RPKKYGRRW

2.16

-4.42

-2.26
30 RPFRHGRRI

2.65

-4.6

-1.95

 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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