Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-15.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 4.402 ΔGbinding 1.045
TOTAL
 5.447
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.233
Van der Waals -3.439 Backbone clash 0.188
Electrostatics 0.674 Helix dipole 0.000
Solvation Polar 4.413 Water bridges -0.001
Solvation Hyd -4.847 Disulfide 0.000
VdW clashes 0.032 Electrost. Kon 0.654
Entropy sc 0.460 Part.cov.bonds 0.000
Entropy mc

4.142

 ΔGstability

87.038
       

Predicted ligand sequences for model [SLA1-D2_1JO8-15.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-D2_1JO8-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFMRRKRR 0.0
2 RPRMRRKRR 0.0
3 RPWMRRKRR 0.01
4 YPRMRRKRR 0.07
5 RPRMRRRRR 0.07
6 YPFMRRKRR 0.07
7 RPFMRRRRR 0.07
8 YPWMRRKRR 0.08
9 RPWMRRRRR 0.08
10 RPRMRRKHR 0.12
11 RPFMRRKHR 0.13
12 YPFMRRRRR 0.14
13 RPWMRRKHR 0.14
14 YPRMRRRRR 0.14
15 YPWMRRRRR 0.15
16 YPRMRRKHR 0.19
17 RPRMRRRHR 0.19
18 YPFMRRKHR 0.2
19 RPFMRRRHR 0.2
20 RPWMRRRHR 0.21
21 YPWMRRKHR 0.21
22 RPFMVRKRR 0.22
23 RPRMVRKRR 0.22
24 RPWMVRKRR 0.23
25 RPRMRRKKR 0.25
26 RPRMRRLRR 0.26
27 RFFMRRKRR 0.26
28 RFRMRRKRR 0.26
29 YPFMRRRHR 0.26
30 YPRMRRRHR 0.26
31 RPFMRRLRR 0.26
32 RPFMRRKKR 0.26
33 RFWMRRKRR 0.27
34 RPWMRRKKR 0.27
35 RPWMRRLRR 0.27
36 KPFMRRKRR 0.28
37 YPWMRRRHR 0.28
38 KPRMRRKRR 0.28
39 RPRMKRKRR 0.28
40 RPFMKRKRR 0.28
41 KPWMRRKRR 0.29
42 YPFMVRKRR 0.29
43 RPFMVRRRR 0.29
44 RPWMKRKRR 0.29
45 YPRMVRKRR 0.29
46 RPRMVRRRR 0.29
47 YPWMVRKRR 0.3
48 RPWMVRRRR 0.3
49 YPRMRRKKR 0.32
50 YPFMRRKKR 0.32
51 RPRMRRRKR 0.32
52 RPFMRRRKR 0.32
53 YPRMRRLRR 0.32
54 RFRMRRRRR 0.33
55 YPFMRRLRR 0.33
56 YFFMRRKRR 0.33
57 RKRMRRKRR 0.33
58 YFRMRRKRR 0.33
59 RPWMRRRKR 0.33
60 RFFMRRRRR 0.33
61 YFWMRRKRR 0.34
62 YPWMRRLRR 0.34
63 RKFMRRKRR 0.34
64 YPWMRRKKR 0.34
65 RFWMRRRRR 0.34
66 KPRMRRRRR 0.34
67 RPFMVRKHR 0.35
68 RPRRRRKRR 0.35
69 RPRMKRRRR 0.35
70 RKWMRRKRR 0.35
71 YPRMKRKRR 0.35
72 RPRMVRKHR 0.35
73 RPFMKRRRR 0.35
74 RPFRRRKRR 0.35
75 YPFMKRKRR 0.35
76 KPFMRRRRR 0.35
77 RPWMKRRRR 0.36
78 RPWRRRKRR 0.36
79 KPWMRRRRR 0.36
80 YPWMKRKRR 0.36
81 YPRMVRRRR 0.36
82 YPFMVRRRR 0.36
83 RPWMVRKHR 0.36
84 YPWMVRRRR 0.37
85 RPFMRRLHR 0.38
86 RFRMRRKHR 0.38
87 RPRMRRLHR 0.38
88 RFFMRRKHR 0.38
89 RPWMRRLHR 0.39
90 YFRMRRRRR 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRMRRKRR

3.75

-12.65

-8.9
2 RPRMRRKHR

3.28

-11.88

-8.6
3 RPFMVRKRR

4.57

-13.02

-8.45
4 YPRMRRRHR

3.5

-11.94

-8.44
5 RPFMRRRRR

3.74

-12.09

-8.35
6 RPRMRRRRR

3.67

-11.86

-8.19
7 RPRMVRKRR

3.71

-11.87

-8.16
8 YPFMRRRRR

3.56

-11.67

-8.11
9 RPRMRRLRR

4.07

-12.14

-8.07
10 RPWMRRRHR

3.27

-11.16

-7.89
11 RPWMRRKHR

3.18

-10.98

-7.8
12 YPRMRRKRR

3.45

-10.86

-7.41
13 YPWMRRRRR

3.42

-10.82

-7.4
14 RPRMRRKKR

3.36

-10.69

-7.33
15 YPRMRRRRR

3.75

-10.91

-7.16
16 YPWMRRKRR

3.62

-10.72

-7.1
17 RPFMRRKRR

3.36

-10.31

-6.95
18 YPFMRRKRR

3.88

-10.81

-6.93
19 YPFMRRRHR

3.43

-10.3

-6.87
20 RPRMRRRHR

3.59

-10.34

-6.75
21 YPFMRRKHR

3.4

-10.1

-6.7
22 RPWMVRKRR

4.6

-11.27

-6.67
23 RFRMRRKRR

4.28

-10.95

-6.67
24 RPFMRRKHR

3.57

-10.2

-6.63
25 RFFMRRKRR

3.7

-10.21

-6.51
26 RPFMRRRHR

3.56

-9.8

-6.24
27 YPRMRRKHR

3.55

-9.75

-6.2
28 RPWMRRKRR

3.55

-9.73

-6.18
29 RPWMRRRRR

3.89

-9.99

-6.1
30 YPWMRRKHR

3.65

-9.75

-6.1

 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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