Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-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 7.838 ΔGbinding -0.873
TOTAL
 6.965
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.153
Van der Waals -1.641 Backbone clash 0.056
Electrostatics 0.100 Helix dipole 0.000
Solvation Polar 1.635 Water bridges -0.029
Solvation Hyd -2.517 Disulfide 0.000
VdW clashes 0.255 Electrost. Kon 0.113
Entropy sc 0.274 Part.cov.bonds 0.000
Entropy mc

2.058

 ΔGstability

84.817
       

Predicted ligand sequences for model [BBC1_1FYN-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_1FYN-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERRWHRPNMR 0.0
2 ERRWHRPNRR 0.01
3 ERRWGRPNMR 0.05
4 ERRWGRPNRR 0.06
5 ERKWHRPNMR 0.07
6 ERKWHRPNRR 0.08
7 ERKWGRPNMR 0.11
8 ERKWGRPNRR 0.12
9 ERRWQRPNMR 0.12
10 ERRWQRPNRR 0.13
11 ERRWHRPNKR 0.15
12 ERKWQRPNMR 0.18
13 ERKWQRPNRR 0.19
14 ERRWGRPNKR 0.2
15 ERKWHRPNKR 0.22
16 ERRWQRPNKR 0.27
17 ERKWGRPNKR 0.27
18 ERKWQRPNKR 0.33
19 ERRWHRTNMR 0.34
20 ERRWHRTNRR 0.35
21 ERRWGRTNMR 0.39
22 ERRWGRTNRR 0.4
23 ERKWHRTNMR 0.41
24 ERKWHRTNRR 0.42
25 RRRWHRPNMR 0.45
26 RRRWHRPNRR 0.46
27 ERRWQRTNMR 0.46
28 ERKWGRTNMR 0.46
29 ERRLHRPNMR 0.47
30 ERKWGRTNRR 0.47
31 ERRWQRTNRR 0.47
32 ERRWHRENMR 0.48
33 ERRLHRPNRR 0.48
34 ERRWHRENRR 0.49
35 ERRWHRTNKR 0.5
36 RRRWGRPNMR 0.5
37 RRRWGRPNRR 0.51
38 ERRLGRPNMR 0.52
39 RRKWHRPNMR 0.52
40 ERRWGRENMR 0.53
41 ERKLHRPNMR 0.53
42 RRKWHRPNRR 0.53
43 ERKWQRTNMR 0.53
44 ERRLGRPNRR 0.53
45 ERKWHRENMR 0.54
46 ERKWQRTNRR 0.54
47 ERRWGRENRR 0.54
48 ERKLHRPNRR 0.54
49 ERKWHRENRR 0.55
50 ERRWGRTNKR 0.55
51 ERKWHRTNKR 0.56
52 RRKWGRPNMR 0.57
53 RRRWQRPNMR 0.57
54 RRKWGRPNRR 0.58
55 ERKLGRPNMR 0.58
56 ERRLQRPNMR 0.58
57 RRRWQRPNRR 0.58
58 ERKLGRPNRR 0.59
59 ERKWGRENMR 0.59
60 ERRWQRENMR 0.59
61 ERKWGRENRR 0.6
62 ERRLQRPNRR 0.6
63 RRRWHRPNKR 0.61
64 ERRWQRTNKR 0.61
65 ERRWQRENRR 0.61
66 ERKWGRTNKR 0.61
67 ERRLHRPNKR 0.62
68 ERRWHRENKR 0.63
69 RRKWQRPNMR 0.64
70 RRKWQRPNRR 0.65
71 ERKLQRPNMR 0.65
72 RRRWGRPNKR 0.66
73 ERKLQRPNRR 0.66
74 ERKWQRENMR 0.66
75 ERRLGRPNKR 0.67
76 ERKWQRENRR 0.67
77 RRKWHRPNKR 0.67
78 ERRWGRENKR 0.68
79 ERKWQRTNKR 0.68
80 ERKLHRPNKR 0.69
81 ERKWHRENKR 0.7
82 RRKWGRPNKR 0.72
83 RRRWQRPNKR 0.72
84 ERKLGRPNKR 0.73
85 ERKWGRENKR 0.74
86 ERRLQRPNKR 0.74
87 ERRWQRENKR 0.75
88 RRKWQRPNKR 0.79
89 ERKLQRPNKR 0.8
90 RRRWHRTNMR 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERRLHRPNMR

10.93

-12.26

-1.33
2 ERRWHRTNRR

9.77

-10.94

-1.17
3 RRRWHRPNRR

10.48

-11.53

-1.05
4 ERRWGRPNMR

9.04

-10.08

-1.04
5 ERRWGRTNRR

8.74

-9.29

-0.55
6 ERKWGRPNKR

9.19

-9.62

-0.43
7 ERRWGRTNMR

9.18

-9.57

-0.39
8 ERRWQRTNMR

9.63

-9.95

-0.32
9 ERKWGRPNRR

9.02

-9.27

-0.25
10 ERRWGRPNKR

9.2

-9.4

-0.2
11 ERKWHRPNRR

10.4

-10.42

-0.02
12 RRRWHRPNMR

11.05

-10.97

0.08
13 ERKWGRPNMR

9.84

-9.75

0.09
14 ERKWGRTNMR

9.24

-9.07

0.17
15 ERRWHRPNRR

10.59

-10.36

0.23
16 ERRWHRPNKR

10.68

-10.24

0.44
17 ERKWHRTNRR

11.02

-10.42

0.6
18 ERKWQRPNKR

9.94

-9.05

0.89
19 ERRWQRPNRR

10.52

-9.57

0.95
20 ERRWHRTNMR

10.58

-9.56

1.02
21 ERRWHRPNMR

10.61

-9.53

1.08
22 ERRWQRPNMR

11.02

-9.74

1.28
23 ERKWQRPNMR

10.28

-8.99

1.29
24 ERRWQRPNKR

10.44

-8.79

1.65
25 ERKWHRPNMR

10.97

-9.31

1.66
26 ERRWGRPNRR

8.08

-6.2

1.88
27 ERKWHRPNKR

10.6

-8.5

2.1
28 ERKWHRTNMR

10.84

-8.66

2.18
29 ERKWQRPNRR

11.12

-8.92

2.2
30 ERKWGRTNRR

8.06

-5.79

2.27

 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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