Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-14.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
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 4.202 ΔGbinding 4.694
TOTAL
 8.896
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.241
Van der Waals -3.860 Backbone clash 0.134
Electrostatics 0.268 Helix dipole 0.000
Solvation Polar 4.077 Water bridges 0.000
Solvation Hyd -5.780 Disulfide 0.000
VdW clashes 6.409 Electrost. Kon 0.348
Entropy sc 0.621 Part.cov.bonds 0.000
Entropy mc

3.646

 ΔGstability

22.964
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-14.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-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 GDPIRRKRR 0.0
2 GDFIRRKRR 0.03
3 GDPIRRRRR 0.06
4 GDYIRRKRR 0.08
5 GDFIRRRRR 0.09
6 GDMIRRKRR 0.1
7 GDPIRRWRR 0.15
8 GDYIRRRRR 0.15
9 GDPIRRHRR 0.16
10 GDMIRRRRR 0.17
11 GDFIRRWRR 0.18
12 GDFIRRHRR 0.19
13 GDYIRRWRR 0.23
14 GDPIIRKRR 0.23
15 GDYIRRHRR 0.24
16 GDMIRRHRR 0.26
17 GDMIRRWRR 0.26
18 GDFIIRKRR 0.26
19 GDPIIRRRR 0.29
20 GDYIIRKRR 0.31
21 GDFIIRRRR 0.32
22 GDMIIRKRR 0.33
23 GDPRRRKRR 0.33
24 GDFRRRKRR 0.36
25 GDPIIRWRR 0.38
26 GDYIIRRRR 0.38
27 GDPRRRRRR 0.39
28 GDPIIRHRR 0.39
29 GDMIIRRRR 0.4
30 GDPIRRKNR 0.4
31 GDFIIRWRR 0.41
32 GDYRRRKRR 0.41
33 GDFIIRHRR 0.42
34 GDFRRRRRR 0.42
35 GDMRRRKRR 0.43
36 GDFIRRKNR 0.43
37 GDYIIRWRR 0.46
38 GDYRRRRRR 0.47
39 GDYIIRHRR 0.47
40 GDPIRRRNR 0.47
41 GDPRRRWRR 0.48
42 GDPRRRHRR 0.48
43 GDMIIRHRR 0.49
44 GDMIIRWRR 0.49
45 GDYIRRKNR 0.49
46 GDFIRRRNR 0.5
47 GDMRRRRRR 0.5
48 GDMIRRKNR 0.51
49 GDFRRRHRR 0.51
50 GDFRRRWRR 0.51
51 GDYIRRRNR 0.55
52 GDPIRRHNR 0.56
53 GDPRIRKRR 0.56
54 GDPIRRWNR 0.56
55 GDYRRRWRR 0.56
56 GDYRRRHRR 0.57
57 GDMIRRRNR 0.57
58 GDFIRRWNR 0.59
59 GDMRRRWRR 0.59
60 GDMRRRHRR 0.59
61 GDFIRRHNR 0.59
62 GDFRIRKRR 0.59
63 GDPRIRRRR 0.62
64 GDPIIRKNR 0.63
65 GDYIRRWNR 0.64
66 GDYIRRHNR 0.64
67 GDYRIRKRR 0.64
68 GDFRIRRRR 0.65
69 GDMRIRKRR 0.66
70 GDMIRRWNR 0.66
71 GDFIIRKNR 0.66
72 GDMIRRHNR 0.67
73 GDPIIRRNR 0.7
74 GDYRIRRRR 0.7
75 GDPRIRHRR 0.71
76 GDPRIRWRR 0.71
77 GDYIIRKNR 0.72
78 GDPRRRKNR 0.73
79 GDFIIRRNR 0.73
80 GDMRIRRRR 0.73
81 GDFRIRWRR 0.74
82 GDFRIRHRR 0.74
83 GDMIIRKNR 0.74
84 GDFRRRKNR 0.76
85 GDYIIRRNR 0.78
86 GDYRIRWRR 0.79
87 GDPIIRHNR 0.79
88 GDPIIRWNR 0.79
89 GDPRRRRNR 0.8
90 GDYRIRHRR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GDYIRRKRR

1.91

-14.81

-12.9
2 GDMIRRRRR

1.9

-14.36

-12.46
3 GDMIIRRRR

2.05

-14.3

-12.25
4 GDMIRRHRR

2.04

-14.11

-12.07
5 GDMIRRWRR

2.43

-14.47

-12.04
6 GDPIIRHRR

2.22

-14.04

-11.82
7 GDFIRRHRR

2.41

-13.43

-11.02
8 GDFIIRKRR

2.11

-13.01

-10.9
9 GDPIRRRRR

2.71

-13.58

-10.87
10 GDFIRRWRR

2.63

-13.13

-10.5
11 GDMIRRKRR

2.0

-12.26

-10.26
12 GDPIRRKRR

2.37

-12.62

-10.25
13 GDYIRRHRR

2.06

-12.31

-10.25
14 GDPIRRHRR

2.19

-12.22

-10.03
15 GDFIRRRRR

2.5

-12.21

-9.71
16 GDPIRRWRR

1.92

-11.63

-9.71
17 GDFIRRKRR

2.18

-11.85

-9.67
18 GDYIIRKRR

2.0

-11.66

-9.66
19 GDPIRRKNR

2.2

-11.61

-9.41
20 GDYIRRWRR

2.36

-11.7

-9.34
21 GDPIIRWRR

2.14

-11.32

-9.18
22 GDPIIRKRR

2.59

-11.74

-9.15
23 GDYIRRRRR

2.55

-11.67

-9.12
24 GDYIIRRRR

1.9

-10.83

-8.93
25 GDPRRRKRR

2.12

-10.57

-8.45
26 GDMIIRKRR

2.81

-11.11

-8.3
27 GDPRRRRRR

2.31

-10.49

-8.18
28 GDFRRRKRR

2.89

-11.03

-8.14
29 GDFIIRRRR

2.74

-10.84

-8.1
30 GDPIIRRRR

2.01

-10.05

-8.04

 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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