Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-21.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 10
poly-Ala A
A
A
A
G
G
 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 1.354 ΔGbinding -1.212
TOTAL
 0.142
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.105
Van der Waals -1.655 Backbone clash 0.052
Electrostatics 0.064 Helix dipole 0.000
Solvation Polar 1.485 Water bridges -0.004
Solvation Hyd -2.503 Disulfide 0.000
VdW clashes 0.257 Electrost. Kon 0.018
Entropy sc 0.295 Part.cov.bonds 0.000
Entropy mc

0.726

 ΔGstability

13.008
       

Predicted ligand sequences for model [BBC1_1TG0-21.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).
 
  BBC1_1TG0-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKFLGIPNKW 0.0
2 RKFLGMPNKW 0.01
3 RKFLGRPNKW 0.01
4 RKWLGIPNKW 0.03
5 RKFLGMPNRW 0.04
6 RKKLGMPNKW 0.04
7 RKWLGRPNKW 0.04
8 RKFLGIPNRW 0.04
9 RKWLGMPNKW 0.04
10 RKKLGIPNKW 0.04
11 RKKLGRPNKW 0.05
12 RKFLGRPNRW 0.05
13 RKWLGMPNRW 0.07
14 RKWLGIPNRW 0.07
15 RKWLGRPNRW 0.08
16 RKKLGIPNRW 0.08
17 RKKLGMPNRW 0.08
18 RKKLGRPNRW 0.09
19 RKFLGIPNMW 0.15
20 RKFLGMPNMW 0.16
21 RKFLGRPNMW 0.16
22 RKWLGMPNMW 0.18
23 RKWLGIPNMW 0.18
24 RKWLGRPNMW 0.19
25 RKKLGIPNMW 0.19
26 RKKLGRPNMW 0.2
27 RKKLGMPNMW 0.2
28 KKFLGIPNKW 0.25
29 KKFLGRPNKW 0.26
30 KKFLGMPNKW 0.26
31 KKWLGIPNKW 0.28
32 HKFLGIPNKW 0.28
33 KKWLGMPNKW 0.29
34 KKKLGIPNKW 0.29
35 HKFLGRPNKW 0.29
36 KKFLGMPNRW 0.29
37 HKFLGMPNKW 0.29
38 KKWLGRPNKW 0.29
39 KKFLGIPNRW 0.29
40 KKKLGMPNKW 0.3
41 KKKLGRPNKW 0.3
42 KKFLGRPNRW 0.3
43 HKWLGMPNKW 0.31
44 HKWLGIPNKW 0.31
45 HKFLGIPNRW 0.32
46 HKFLGMPNRW 0.32
47 HKKLGMPNKW 0.32
48 KKWLGIPNRW 0.32
49 KKWLGMPNRW 0.32
50 HKKLGIPNKW 0.32
51 HKWLGRPNKW 0.32
52 KKKLGIPNRW 0.33
53 HKFLGRPNRW 0.33
54 KKKLGMPNRW 0.33
55 HKKLGRPNKW 0.33
56 KKWLGRPNRW 0.33
57 KKKLGRPNRW 0.34
58 RKFLGITNKW 0.35
59 HKWLGIPNRW 0.35
60 HKKLGIPNRW 0.35
61 HKWLGMPNRW 0.35
62 RKFLGRTNKW 0.36
63 RKFLGMTNKW 0.36
64 HKWLGRPNRW 0.36
65 HKKLGMPNRW 0.36
66 HKKLGRPNRW 0.36
67 RKWLGITNKW 0.38
68 RKKLGITNKW 0.39
69 RKWLGRTNKW 0.39
70 RKWLGMTNKW 0.39
71 RKFLGITNRW 0.39
72 RKFLGMTNRW 0.4
73 RKKLGRTNKW 0.4
74 RKKLGMTNKW 0.4
75 KKFLGIPNMW 0.4
76 RKFLGRTNRW 0.4
77 KKFLGRPNMW 0.41
78 KKFLGMPNMW 0.41
79 RKWLGITNRW 0.42
80 RKWLGRTNRW 0.43
81 RKKLGITNRW 0.43
82 RKWLGMTNRW 0.43
83 HKFLGIPNMW 0.43
84 KKWLGIPNMW 0.43
85 RKFLGIPNKF 0.43
86 RKFLGMPNKF 0.44
87 RKKLGRTNRW 0.44
88 HKFLGRPNMW 0.44
89 RKKLGMTNRW 0.44
90 RKFLGRPNKF 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKWLGMPNRW

3.53

-8.39

-4.86
2 RKKLGIPNRW

2.94

-6.99

-4.05
3 RKFLGIPNRW

3.69

-7.52

-3.83
4 RKKLGRPNRW

3.74

-7.37

-3.63
5 RKWLGMPNKW

2.9

-6.23

-3.33
6 RKFLGRPNMW

3.58

-6.9

-3.32
7 RKKLGMPNKW

3.39

-6.69

-3.3
8 RKWLGIPNRW

3.83

-7.12

-3.29
9 RKFLGRPNKW

3.5

-6.7

-3.2
10 RKFLGRPNRW

3.7

-6.9

-3.2
11 RKKLGIPNMW

3.39

-6.59

-3.2
12 RKWLGRPNRW

4.15

-7.33

-3.18
13 RKKLGMPNRW

3.59

-6.7

-3.11
14 RKFLGIPNKW

3.48

-6.48

-3.0
15 RKFLGMPNRW

4.18

-7.18

-3.0
16 RKFLGIPNMW

3.55

-6.55

-3.0
17 RKWLGRPNMW

3.57

-6.52

-2.95
18 RKWLGIPNMW

3.33

-6.23

-2.9
19 RKKLGRPNMW

3.65

-6.48

-2.83
20 RKKLGRPNKW

2.92

-5.7

-2.78
21 RKWLGMPNMW

3.58

-6.35

-2.77
22 RKFLGMPNMW

3.78

-6.43

-2.65
23 RKKLGMPNMW

3.98

-6.44

-2.46
24 RKFLGMPNKW

3.57

-5.98

-2.41
25 KKFLGIPNKW

3.86

-6.01

-2.15
26 RKKLGIPNKW

4.2

-5.94

-1.74
27 RKWLGIPNKW

4.07

-5.62

-1.55
28 KKFLGRPNKW

3.97

-5.38

-1.41
29 RKWLGRPNKW

3.87

-5.18

-1.31
30 KKFLGMPNKW

3.89

-5.18

-1.29

 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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